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 1gpa_1_B DATA FIRST_RESID 10 DATA SEQUENCE RKQIXVRGLX XXENVTELKK 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 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 0.000 176.288 176.300 -0.021 0.000 0.893 10 R CA 0.000 56.086 56.100 -0.023 0.000 0.921 10 R CB 0.000 30.288 30.300 -0.020 0.000 0.687 11 K N 0.739 121.129 120.400 -0.017 0.000 2.519 11 K HA -0.146 4.173 4.320 -0.001 0.000 0.196 11 K C 1.059 177.650 176.600 -0.014 0.000 1.041 11 K CA 1.163 57.441 56.287 -0.015 0.000 0.954 11 K CB 0.177 32.670 32.500 -0.011 0.000 0.774 11 K HN 0.291 nan 8.250 nan 0.000 0.480 12 Q N 0.582 120.373 119.800 -0.016 0.000 2.061 12 Q HA 0.063 4.402 4.340 -0.001 0.000 0.195 12 Q C 0.908 176.898 176.000 -0.018 0.000 0.967 12 Q CA 0.548 56.342 55.803 -0.015 0.000 0.829 12 Q CB 0.196 28.925 28.738 -0.015 0.000 0.900 12 Q HN 0.186 nan 8.270 nan 0.000 0.450 16 R N 2.450 122.946 120.500 -0.008 0.000 2.502 16 R HA -0.094 4.245 4.340 -0.001 0.000 0.250 16 R C 1.283 177.582 176.300 -0.003 0.000 1.220 16 R CA 2.099 58.197 56.100 -0.004 0.000 1.104 16 R CB -0.575 29.722 30.300 -0.004 0.000 0.828 16 R HN 0.699 nan 8.270 nan 0.000 0.506 17 G N -0.315 108.482 108.800 -0.005 0.000 2.801 17 G HA2 0.183 4.142 3.960 -0.001 0.000 0.191 17 G HA3 0.183 4.142 3.960 -0.001 0.000 0.191 17 G C 0.118 175.017 174.900 -0.002 0.000 1.223 17 G CA -0.476 44.623 45.100 -0.002 0.000 0.904 17 G HN 0.008 nan 8.290 nan 0.000 0.789 23 N N 0.806 119.530 118.700 0.038 0.000 2.417 23 N HA 0.218 4.957 4.740 -0.001 0.000 0.300 23 N C 0.938 176.470 175.510 0.036 0.000 1.102 23 N CA -0.389 52.681 53.050 0.033 0.000 0.886 23 N CB 2.377 40.888 38.487 0.038 0.000 1.203 23 N HN -0.114 nan 8.380 nan 0.000 0.496 24 V N 2.489 122.421 119.914 0.030 0.000 2.407 24 V HA -0.190 3.929 4.120 -0.001 0.000 0.248 24 V C 2.032 178.146 176.094 0.034 0.000 1.055 24 V CA 2.160 64.478 62.300 0.030 0.000 1.049 24 V CB -0.741 31.097 31.823 0.025 0.000 0.662 24 V HN 0.784 nan 8.190 nan 0.000 0.455 25 T N -0.991 113.581 114.554 0.029 0.000 2.867 25 T HA -0.133 4.217 4.350 -0.001 0.000 0.268 25 T C 1.864 176.591 174.700 0.045 0.000 1.057 25 T CA 1.025 63.141 62.100 0.027 0.000 1.136 25 T CB -0.169 68.710 68.868 0.019 0.000 0.874 25 T HN 0.395 nan 8.240 nan 0.000 0.466 26 E N 1.390 121.625 120.200 0.058 0.000 2.031 26 E HA -0.011 4.339 4.350 -0.001 0.000 0.193 26 E C 2.287 178.954 176.600 0.111 0.000 0.994 26 E CA 0.860 57.309 56.400 0.082 0.000 0.800 26 E CB -0.554 29.207 29.700 0.102 0.000 0.752 26 E HN 0.450 nan 8.360 nan 0.000 0.447 27 L N 0.794 122.088 121.223 0.119 0.000 2.187 27 L HA -0.201 4.139 4.340 -0.001 0.000 0.213 27 L C 2.334 179.304 176.870 0.167 0.000 1.100 27 L CA 1.161 56.091 54.840 0.150 0.000 0.765 27 L CB -0.267 41.853 42.059 0.100 0.000 0.904 27 L HN 0.061 nan 8.230 nan 0.000 0.437 28 K N 0.081 120.549 120.400 0.113 0.000 2.057 28 K HA -0.206 4.114 4.320 -0.001 0.000 0.206 28 K C 2.092 178.792 176.600 0.167 0.000 1.050 28 K CA 1.217 57.578 56.287 0.124 0.000 0.935 28 K CB -0.083 32.446 32.500 0.049 0.000 0.715 28 K HN 0.152 nan 8.250 nan 0.000 0.439 29 K N 1.380 121.844 120.400 0.105 0.000 1.973 29 K HA -0.162 4.158 4.320 -0.001 0.000 0.212 29 K C 1.757 178.383 176.600 0.043 0.000 1.047 29 K CA 1.947 58.269 56.287 0.060 0.000 0.937 29 K CB -0.044 32.479 32.500 0.038 0.000 0.721 29 K HN -0.013 nan 8.250 nan 0.000 0.440 30 N N 0.086 118.831 118.700 0.074 0.000 2.223 30 N HA -0.156 4.583 4.740 -0.001 0.000 0.185 30 N C 1.459 177.026 175.510 0.094 0.000 1.016 30 N CA 1.128 54.200 53.050 0.038 0.000 0.863 30 N CB -0.407 38.173 38.487 0.155 0.000 0.983 30 N HN 0.211 nan 8.380 nan 0.000 0.429 31 F N 1.817 121.820 119.950 0.088 0.000 2.091 31 F HA -0.134 4.392 4.527 -0.001 0.000 0.299 31 F C 1.704 177.528 175.800 0.040 0.000 1.103 31 F CA 1.419 59.475 58.000 0.094 0.000 1.228 31 F CB -0.125 38.928 39.000 0.087 0.000 0.984 31 F HN 0.100 nan 8.300 nan 0.000 0.477 32 N N 0.022 118.825 118.700 0.172 0.000 2.463 32 N HA -0.034 4.706 4.740 -0.001 0.000 0.181 32 N C 1.761 177.206 175.510 -0.109 0.000 1.078 32 N CA 0.319 53.437 53.050 0.113 0.000 0.902 32 N CB -0.109 38.506 38.487 0.214 0.000 0.970 32 N HN 0.429 nan 8.380 nan 0.000 0.451 33 R N 0.657 120.987 120.500 -0.283 0.000 2.064 33 R HA -0.067 4.272 4.340 -0.001 0.000 0.228 33 R C 1.740 177.737 176.300 -0.504 0.000 1.144 33 R CA 1.339 57.111 56.100 -0.546 0.000 0.932 33 R CB -0.515 29.501 30.300 -0.473 0.000 0.833 33 R HN 0.399 nan 8.270 nan 0.000 0.429 34 H N 0.324 119.247 119.070 -0.245 0.000 2.389 34 H HA -0.093 4.463 4.556 -0.001 0.000 0.299 34 H C 1.891 177.004 175.328 -0.358 0.000 1.081 34 H CA 1.161 57.033 56.048 -0.293 0.000 1.345 34 H CB -0.047 29.529 29.762 -0.310 0.000 1.393 34 H HN 0.048 nan 8.280 nan 0.000 0.520 35 L N 0.231 121.235 121.223 -0.364 0.000 2.265 35 L HA -0.155 4.185 4.340 -0.001 0.000 0.215 35 L C 1.123 177.734 176.870 -0.432 0.000 1.117 35 L CA 1.833 56.390 54.840 -0.472 0.000 0.782 35 L CB -0.249 41.426 42.059 -0.640 0.000 0.914 35 L HN 0.291 nan 8.230 nan 0.000 0.441 36 H N -3.202 115.692 119.070 -0.293 0.000 2.367 36 H HA 0.149 4.705 4.556 -0.001 0.000 0.304 36 H C 1.654 176.928 175.328 -0.090 0.000 1.023 36 H CA 1.063 56.970 56.048 -0.236 0.000 1.342 36 H CB -0.184 29.366 29.762 -0.354 0.000 1.486 36 H HN 0.102 nan 8.280 nan 0.000 0.596 37 F N 0.729 120.676 119.950 -0.005 0.000 2.113 37 F HA -0.095 4.432 4.527 -0.001 0.000 0.297 37 F C 2.361 178.103 175.800 -0.097 0.000 1.103 37 F CA 1.289 59.251 58.000 -0.063 0.000 1.248 37 F CB -1.061 37.881 39.000 -0.097 0.000 0.999 37 F HN 0.085 nan 8.300 nan 0.000 0.475 38 T N -0.202 114.373 114.554 0.036 0.000 3.014 38 T HA 0.033 4.382 4.350 -0.001 0.000 0.263 38 T C 1.757 176.365 174.700 -0.153 0.000 1.078 38 T CA 0.643 62.697 62.100 -0.077 0.000 1.135 38 T CB -0.093 68.716 68.868 -0.099 0.000 0.895 38 T HN -0.040 nan 8.240 nan 0.000 0.480 39 L N 0.483 121.609 121.223 -0.162 0.000 2.554 39 L HA 0.298 4.637 4.340 -0.001 0.000 0.225 39 L C 0.759 177.562 176.870 -0.111 0.000 1.104 39 L CA 0.296 55.034 54.840 -0.169 0.000 0.866 39 L CB -0.198 41.739 42.059 -0.203 0.000 1.047 39 L HN -0.044 nan 8.230 nan 0.000 0.468 40 V N 0.139 120.013 119.914 -0.067 0.000 5.691 40 V HA -0.297 3.822 4.120 -0.001 0.000 0.288 40 V C 0.360 176.426 176.094 -0.047 0.000 0.615 40 V CA 0.889 63.178 62.300 -0.018 0.000 0.619 40 V CB -2.146 29.675 31.823 -0.003 0.000 0.296 40 V HN 0.343 nan 8.190 nan 0.000 0.834 41 K N 1.040 121.374 120.400 -0.110 0.000 2.385 41 K HA 0.692 5.011 4.320 -0.001 0.000 0.248 41 K C -0.211 176.263 176.600 -0.209 0.000 0.955 41 K CA -0.513 55.687 56.287 -0.145 0.000 0.816 41 K CB 2.691 35.068 32.500 -0.205 0.000 1.250 41 K HN 0.531 nan 8.250 nan 0.000 0.434 42 D N -0.851 119.478 120.400 -0.117 0.000 2.506 42 D HA 0.234 4.873 4.640 -0.001 0.000 0.254 42 D C 0.917 177.174 176.300 -0.072 0.000 1.089 42 D CA -0.689 53.283 54.000 -0.046 0.000 1.050 42 D CB 0.967 41.827 40.800 0.099 0.000 1.221 42 D HN 0.295 nan 8.370 nan 0.000 0.589 43 R N -0.154 120.382 120.500 0.060 0.000 2.105 43 R HA -0.144 4.195 4.340 -0.001 0.000 0.239 43 R C 0.604 176.973 176.300 0.115 0.000 1.135 43 R CA 1.485 57.658 56.100 0.122 0.000 0.967 43 R CB -0.560 29.835 30.300 0.158 0.000 0.861 43 R HN 0.506 nan 8.270 nan 0.000 0.442 44 N N -0.830 117.918 118.700 0.079 0.000 2.494 44 N HA -0.034 4.706 4.740 -0.001 0.000 0.182 44 N C 0.892 176.436 175.510 0.057 0.000 1.076 44 N CA 0.489 53.579 53.050 0.067 0.000 0.908 44 N CB 0.634 39.151 38.487 0.050 0.000 0.967 44 N HN -0.002 nan 8.380 nan 0.000 0.449 45 V N -0.738 119.199 119.914 0.037 0.000 3.392 45 V HA 0.370 4.489 4.120 -0.001 0.000 0.285 45 V C -0.087 176.004 176.094 -0.006 0.000 1.582 45 V CA -0.177 62.135 62.300 0.019 0.000 1.034 45 V CB 0.194 32.022 31.823 0.008 0.000 0.846 45 V HN 0.187 nan 8.190 nan 0.000 0.431 46 A N 0.897 123.689 122.820 -0.046 0.000 2.522 46 A HA 0.426 4.745 4.320 -0.001 0.000 0.256 46 A C 0.588 178.213 177.584 0.068 0.000 1.086 46 A CA 0.889 52.832 52.037 -0.157 0.000 0.763 46 A CB -0.070 18.587 19.000 -0.570 0.000 1.024 46 A HN 0.266 nan 8.150 nan 0.000 0.502 47 T N 4.160 118.737 114.554 0.039 0.000 2.868 47 T HA 0.348 4.697 4.350 -0.001 0.000 0.292 47 T C -1.082 173.771 174.700 0.255 0.000 1.028 47 T CA -1.072 61.100 62.100 0.121 0.000 1.059 47 T CB 0.748 69.630 68.868 0.023 0.000 0.991 47 T HN 0.567 nan 8.240 nan 0.000 0.531 48 P HA -0.139 nan 4.420 nan 0.000 0.216 48 P C 1.439 178.884 177.300 0.240 0.000 1.150 48 P CA 1.057 64.347 63.100 0.317 0.000 0.843 48 P CB 0.211 31.994 31.700 0.138 0.000 0.787 49 R N 0.442 120.997 120.500 0.092 0.000 2.103 49 R HA -0.156 4.183 4.340 -0.001 0.000 0.242 49 R C 1.912 178.242 176.300 0.051 0.000 1.142 49 R CA 2.056 58.148 56.100 -0.014 0.000 0.960 49 R CB -1.043 29.190 30.300 -0.111 0.000 0.858 49 R HN 0.099 nan 8.270 nan 0.000 0.439 50 D N -1.153 119.297 120.400 0.082 0.000 2.144 50 D HA -0.152 4.487 4.640 -0.001 0.000 0.200 50 D C 1.700 177.975 176.300 -0.042 0.000 0.978 50 D CA 1.284 55.307 54.000 0.040 0.000 0.833 50 D CB -0.311 40.391 40.800 -0.164 0.000 0.961 50 D HN 0.341 nan 8.370 nan 0.000 0.470 51 Y N -0.240 120.137 120.300 0.128 0.000 2.293 51 Y HA -0.183 4.366 4.550 -0.001 0.000 0.291 51 Y C 2.237 178.281 175.900 0.240 0.000 1.137 51 Y CA 0.556 58.796 58.100 0.233 0.000 1.202 51 Y CB -0.561 38.090 38.460 0.318 0.000 0.990 51 Y HN 0.014 nan 8.280 nan 0.000 0.537 52 Y N -0.034 120.401 120.300 0.225 0.000 2.049 52 Y HA -0.316 4.233 4.550 -0.001 0.000 0.277 52 Y C 1.959 177.935 175.900 0.127 0.000 1.143 52 Y CA 1.172 59.331 58.100 0.099 0.000 1.115 52 Y CB -1.225 37.158 38.460 -0.128 0.000 0.975 52 Y HN 0.050 nan 8.280 nan 0.000 0.487 53 F N 0.428 120.134 119.950 -0.405 0.000 2.161 53 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 53 F C 2.699 178.317 175.800 -0.303 0.000 1.089 53 F CA 1.368 59.098 58.000 -0.449 0.000 1.282 53 F CB -1.413 37.480 39.000 -0.179 0.000 1.010 53 F HN 0.224 nan 8.300 nan 0.000 0.485 54 A N -0.486 122.263 122.820 -0.118 0.000 1.930 54 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 54 A C 2.124 179.554 177.584 -0.258 0.000 1.175 54 A CA 1.360 53.190 52.037 -0.344 0.000 0.627 54 A CB -0.989 17.470 19.000 -0.903 0.000 0.815 54 A HN 0.328 nan 8.150 nan 0.000 0.443 55 L N -0.212 121.003 121.223 -0.013 0.000 2.056 55 L HA 0.029 4.368 4.340 -0.001 0.000 0.207 55 L C 2.570 179.489 176.870 0.081 0.000 1.078 55 L CA 2.085 57.069 54.840 0.240 0.000 0.749 55 L CB -0.942 41.353 42.059 0.394 0.000 0.901 55 L HN 0.317 nan 8.230 nan 0.000 0.433 56 A N -1.286 121.476 122.820 -0.097 0.000 1.877 56 A HA -0.254 4.066 4.320 -0.001 0.000 0.216 56 A C 2.271 179.657 177.584 -0.330 0.000 1.186 56 A CA 1.752 53.704 52.037 -0.142 0.000 0.620 56 A CB -1.065 17.675 19.000 -0.434 0.000 0.822 56 A HN 0.670 nan 8.150 nan 0.000 0.443 57 H N -0.533 118.279 119.070 -0.430 0.000 2.456 57 H HA -0.076 4.480 4.556 -0.001 0.000 0.296 57 H C 2.070 177.115 175.328 -0.471 0.000 1.079 57 H CA 1.835 57.518 56.048 -0.608 0.000 1.322 57 H CB -0.160 29.034 29.762 -0.947 0.000 1.388 57 H HN 0.491 nan 8.280 nan 0.000 0.538 58 T N 0.042 114.571 114.554 -0.042 0.000 2.942 58 T HA -0.036 4.313 4.350 -0.001 0.000 0.265 58 T C 2.306 177.173 174.700 0.279 0.000 1.062 58 T CA 0.693 62.920 62.100 0.212 0.000 1.139 58 T CB -0.113 68.925 68.868 0.283 0.000 0.883 58 T HN 0.094 nan 8.240 nan 0.000 0.468 59 V N 1.293 121.328 119.914 0.202 0.000 2.719 59 V HA 0.022 4.142 4.120 -0.001 0.000 0.252 59 V C 2.503 178.761 176.094 0.273 0.000 1.065 59 V CA 1.134 63.583 62.300 0.249 0.000 1.086 59 V CB -0.524 31.454 31.823 0.258 0.000 0.700 59 V HN 0.320 nan 8.190 nan 0.000 0.467 60 R N 0.137 120.713 120.500 0.127 0.000 2.093 60 R HA -0.116 4.224 4.340 -0.001 0.000 0.224 60 R C 1.918 178.268 176.300 0.084 0.000 1.101 60 R CA 1.336 57.474 56.100 0.063 0.000 0.979 60 R CB -0.162 29.965 30.300 -0.288 0.000 0.877 60 R HN 0.435 nan 8.270 nan 0.000 0.441 61 D N 0.149 120.590 120.400 0.068 0.000 2.133 61 D HA -0.175 4.465 4.640 -0.001 0.000 0.195 61 D C 1.632 177.914 176.300 -0.030 0.000 0.997 61 D CA 1.523 55.541 54.000 0.030 0.000 0.840 61 D CB -0.443 40.373 40.800 0.027 0.000 0.947 61 D HN 0.442 nan 8.370 nan 0.000 0.452 62 H N -0.517 118.612 119.070 0.098 0.000 2.489 62 H HA 0.018 4.574 4.556 -0.001 0.000 0.293 62 H C 2.045 177.426 175.328 0.087 0.000 1.066 62 H CA 0.607 56.705 56.048 0.084 0.000 1.305 62 H CB -0.078 29.727 29.762 0.072 0.000 1.386 62 H HN 0.129 nan 8.280 nan 0.000 0.551 63 L N -0.298 121.039 121.223 0.191 0.000 2.049 63 L HA -0.101 4.239 4.340 -0.001 0.000 0.203 63 L C 2.486 179.485 176.870 0.215 0.000 1.074 63 L CA 0.818 55.749 54.840 0.153 0.000 0.749 63 L CB -0.436 41.684 42.059 0.103 0.000 0.907 63 L HN 0.261 nan 8.230 nan 0.000 0.439 64 V N -2.005 118.075 119.914 0.276 0.000 2.546 64 V HA -0.162 3.958 4.120 -0.001 0.000 0.254 64 V C 2.244 178.485 176.094 0.245 0.000 1.076 64 V CA 1.885 64.440 62.300 0.425 0.000 1.087 64 V CB -1.873 30.149 31.823 0.332 0.000 0.674 64 V HN 0.424 nan 8.190 nan 0.000 0.470 65 G N 0.734 109.616 108.800 0.138 0.000 2.433 65 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.216 65 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.216 65 G C 1.704 176.657 174.900 0.088 0.000 1.186 65 G CA 0.993 46.138 45.100 0.075 0.000 0.779 65 G HN 0.521 nan 8.290 nan 0.000 0.543 66 R N -1.331 119.233 120.500 0.106 0.000 2.115 66 R HA -0.016 4.324 4.340 -0.001 0.000 0.230 66 R C 2.144 178.540 176.300 0.160 0.000 1.111 66 R CA 1.012 57.165 56.100 0.088 0.000 0.976 66 R CB -0.421 29.915 30.300 0.059 0.000 0.870 66 R HN 0.513 nan 8.270 nan 0.000 0.445 67 W N 1.525 122.826 121.300 0.002 0.000 2.332 67 W HA -0.101 4.559 4.660 -0.001 0.000 0.321 67 W C 1.641 178.170 176.519 0.018 0.000 1.219 67 W CA 1.015 58.368 57.345 0.013 0.000 1.277 67 W CB -0.773 28.701 29.460 0.023 0.000 1.161 67 W HN -0.035 nan 8.180 nan 0.000 0.476 68 I N 0.705 121.301 120.570 0.043 0.000 2.194 68 I HA -0.381 3.789 4.170 -0.001 0.000 0.246 68 I C 2.624 178.738 176.117 -0.004 0.000 1.093 68 I CA 1.478 62.736 61.300 -0.069 0.000 1.355 68 I CB -0.569 37.393 38.000 -0.064 0.000 1.046 68 I HN -0.097 nan 8.210 nan 0.000 0.413 69 R N 0.102 120.619 120.500 0.028 0.000 2.115 69 R HA -0.059 4.280 4.340 -0.001 0.000 0.230 69 R C 2.230 178.532 176.300 0.003 0.000 1.111 69 R CA 1.341 57.448 56.100 0.012 0.000 0.976 69 R CB -0.958 29.343 30.300 0.003 0.000 0.870 69 R HN 0.367 nan 8.270 nan 0.000 0.445 70 T N 1.248 115.810 114.554 0.013 0.000 2.812 70 T HA -0.071 4.279 4.350 -0.001 0.000 0.264 70 T C 1.696 176.342 174.700 -0.091 0.000 1.042 70 T CA 0.845 62.896 62.100 -0.082 0.000 1.140 70 T CB 0.032 68.928 68.868 0.047 0.000 0.870 70 T HN 0.081 nan 8.240 nan 0.000 0.445 71 Q N 1.390 121.258 119.800 0.114 0.000 2.224 71 Q HA -0.081 4.258 4.340 -0.001 0.000 0.203 71 Q C 2.438 178.548 176.000 0.183 0.000 0.970 71 Q CA 1.117 57.059 55.803 0.232 0.000 0.865 71 Q CB -0.424 28.393 28.738 0.132 0.000 0.922 71 Q HN 0.801 nan 8.270 nan 0.000 0.445 72 Q N -1.132 118.718 119.800 0.083 0.000 2.212 72 Q HA -0.138 4.201 4.340 -0.001 0.000 0.199 72 Q C 1.736 177.797 176.000 0.101 0.000 0.950 72 Q CA 1.261 57.121 55.803 0.096 0.000 0.863 72 Q CB -0.531 28.224 28.738 0.028 0.000 0.944 72 Q HN 0.457 nan 8.270 nan 0.000 0.465 73 H N 0.271 119.293 119.070 -0.079 0.000 2.387 73 H HA -0.171 4.384 4.556 -0.001 0.000 0.299 73 H C 1.038 176.299 175.328 -0.112 0.000 1.099 73 H CA 2.129 58.091 56.048 -0.144 0.000 1.315 73 H CB -0.185 29.406 29.762 -0.285 0.000 1.380 73 H HN 0.308 nan 8.280 nan 0.000 0.513 74 Y N -1.313 118.976 120.300 -0.019 0.000 2.314 74 Y HA -0.128 4.421 4.550 -0.001 0.000 0.293 74 Y C 2.303 178.202 175.900 -0.001 0.000 1.129 74 Y CA 1.027 59.103 58.100 -0.041 0.000 1.201 74 Y CB -1.077 37.445 38.460 0.104 0.000 0.999 74 Y HN 0.280 nan 8.280 nan 0.000 0.541 75 Y N 1.193 121.553 120.300 0.100 0.000 2.128 75 Y HA -0.276 4.274 4.550 -0.001 0.000 0.284 75 Y C 2.185 178.093 175.900 0.014 0.000 1.154 75 Y CA 2.038 60.175 58.100 0.062 0.000 1.149 75 Y CB -0.115 38.373 38.460 0.046 0.000 0.976 75 Y HN 0.025 nan 8.280 nan 0.000 0.505 76 E N -0.108 120.126 120.200 0.058 0.000 2.046 76 E HA -0.124 4.226 4.350 -0.001 0.000 0.190 76 E C 2.014 178.565 176.600 -0.083 0.000 0.982 76 E CA 1.243 57.635 56.400 -0.014 0.000 0.800 76 E CB -0.189 29.518 29.700 0.011 0.000 0.756 76 E HN 0.116 nan 8.360 nan 0.000 0.449 77 K N 0.449 120.767 120.400 -0.137 0.000 2.418 77 K HA -0.011 4.309 4.320 -0.001 0.000 0.195 77 K C -0.571 175.995 176.600 -0.056 0.000 1.035 77 K CA 0.416 56.632 56.287 -0.118 0.000 1.003 77 K CB 0.163 32.527 32.500 -0.226 0.000 0.793 77 K HN -0.021 nan 8.250 nan 0.000 0.494 78 D N 0.434 120.807 120.400 -0.044 0.000 2.812 78 D HA -0.127 4.513 4.640 -0.001 0.000 0.237 78 D C -2.610 173.702 176.300 0.019 0.000 1.162 78 D CA 0.239 54.228 54.000 -0.017 0.000 0.740 78 D CB -0.251 40.532 40.800 -0.028 0.000 1.000 78 D HN 0.160 nan 8.370 nan 0.000 0.416 79 P HA 0.239 nan 4.420 nan 0.000 0.287 79 P C -0.484 176.807 177.300 -0.015 0.000 1.270 79 P CA -0.789 62.331 63.100 0.034 0.000 0.844 79 P CB 0.781 32.535 31.700 0.089 0.000 1.068 80 K N 2.568 122.954 120.400 -0.024 0.000 2.447 80 K HA 0.064 4.383 4.320 -0.001 0.000 0.281 80 K C -0.152 176.361 176.600 -0.145 0.000 1.031 80 K CA 0.062 56.304 56.287 -0.075 0.000 1.019 80 K CB 0.271 32.744 32.500 -0.044 0.000 0.918 80 K HN 0.371 nan 8.250 nan 0.000 0.476 81 R N 3.590 123.955 120.500 -0.226 0.000 2.536 81 R HA 0.436 4.776 4.340 -0.001 0.000 0.279 81 R C -0.223 175.739 176.300 -0.564 0.000 1.001 81 R CA -0.860 55.023 56.100 -0.362 0.000 1.027 81 R CB 1.219 31.313 30.300 -0.343 0.000 1.096 81 R HN 0.596 nan 8.270 nan 0.000 0.502 82 I N 1.562 121.713 120.570 -0.698 0.000 2.582 82 I HA 0.337 4.507 4.170 -0.001 0.000 0.292 82 I C -1.711 173.956 176.117 -0.750 0.000 1.066 82 I CA -0.827 60.024 61.300 -0.749 0.000 1.053 82 I CB 1.720 39.121 38.000 -0.999 0.000 1.241 82 I HN 0.562 nan 8.210 nan 0.000 0.421 83 Y N 7.179 127.430 120.300 -0.082 0.000 2.342 83 Y HA 0.328 4.878 4.550 -0.001 0.000 0.338 83 Y C -0.737 175.273 175.900 0.183 0.000 0.965 83 Y CA -0.615 57.560 58.100 0.125 0.000 1.159 83 Y CB 1.146 39.667 38.460 0.102 0.000 1.157 83 Y HN 0.430 nan 8.280 nan 0.000 0.486 84 Y N 4.671 125.151 120.300 0.299 0.000 2.595 84 Y HA 0.402 4.951 4.550 -0.001 0.000 0.336 84 Y C -0.637 175.536 175.900 0.456 0.000 0.996 84 Y CA -1.123 57.164 58.100 0.312 0.000 1.260 84 Y CB 0.204 38.840 38.460 0.293 0.000 1.108 84 Y HN 0.547 nan 8.280 nan 0.000 0.509 85 L N 4.565 125.845 121.223 0.096 0.000 2.342 85 L HA 0.278 4.617 4.340 -0.001 0.000 0.285 85 L C 0.261 177.135 176.870 0.006 0.000 1.095 85 L CA 0.261 55.191 54.840 0.150 0.000 0.843 85 L CB 0.183 42.310 42.059 0.113 0.000 1.201 85 L HN 0.487 nan 8.230 nan 0.000 0.445 86 S N 2.317 118.090 115.700 0.121 0.000 2.595 86 S HA 0.530 5.000 4.470 -0.001 0.000 0.281 86 S C -0.071 174.515 174.600 -0.024 0.000 1.117 86 S CA -0.586 57.532 58.200 -0.137 0.000 0.873 86 S CB 1.720 64.558 63.200 -0.602 0.000 1.108 86 S HN 0.488 nan 8.310 nan 0.000 0.477 87 L N 2.375 123.588 121.223 -0.016 0.000 2.808 87 L HA 0.572 4.911 4.340 -0.001 0.000 0.246 87 L C 0.021 176.962 176.870 0.118 0.000 1.153 87 L CA 0.452 55.363 54.840 0.119 0.000 0.956 87 L CB 0.099 42.238 42.059 0.133 0.000 1.270 87 L HN 0.767 nan 8.230 nan 0.000 0.528 88 E N -0.400 119.733 120.200 -0.112 0.000 2.317 88 E HA 0.216 4.566 4.350 -0.001 0.000 0.270 88 E C -1.619 174.787 176.600 -0.322 0.000 0.899 88 E CA -0.472 55.880 56.400 -0.080 0.000 0.814 88 E CB 0.719 30.366 29.700 -0.090 0.000 1.296 88 E HN -0.000 nan 8.360 nan 0.000 0.404 89 F N 4.436 124.496 119.950 0.183 0.000 2.359 89 F HA 0.232 4.758 4.527 -0.001 0.000 0.370 89 F C -0.666 175.232 175.800 0.164 0.000 1.077 89 F CA -0.685 57.416 58.000 0.168 0.000 1.136 89 F CB 0.678 39.770 39.000 0.152 0.000 1.387 89 F HN 0.507 nan 8.300 nan 0.000 0.468 90 Y N 4.251 124.610 120.300 0.098 0.000 2.632 90 Y HA 0.185 4.735 4.550 -0.001 0.000 0.336 90 Y C 0.922 176.842 175.900 0.033 0.000 1.237 90 Y CA -0.628 57.486 58.100 0.022 0.000 1.595 90 Y CB 0.337 38.797 38.460 0.001 0.000 1.508 90 Y HN 0.642 nan 8.280 nan 0.000 0.480 91 M N 2.858 122.504 119.600 0.077 0.000 2.160 91 M HA 0.224 4.704 4.480 -0.001 0.000 0.264 91 M C 1.237 177.462 176.300 -0.126 0.000 1.073 91 M CA 1.483 56.779 55.300 -0.008 0.000 1.142 91 M CB -0.583 32.019 32.600 0.002 0.000 1.358 91 M HN 0.736 nan 8.290 nan 0.000 0.422 92 G N 0.645 109.351 108.800 -0.156 0.000 2.819 92 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.682 92 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.682 92 G C -0.673 174.129 174.900 -0.164 0.000 1.481 92 G CA -0.408 44.576 45.100 -0.194 0.000 0.904 92 G HN 0.561 nan 8.290 nan 0.000 0.563 93 R N -0.101 120.305 120.500 -0.156 0.000 2.547 93 R HA 0.187 4.527 4.340 -0.001 0.000 0.269 93 R C 1.557 177.707 176.300 -0.250 0.000 0.968 93 R CA 1.247 57.254 56.100 -0.154 0.000 1.101 93 R CB 0.154 30.374 30.300 -0.134 0.000 0.898 93 R HN 0.631 nan 8.270 nan 0.000 0.416 94 T N 2.306 116.642 114.554 -0.363 0.000 3.038 94 T HA 0.050 4.400 4.350 -0.001 0.000 0.244 94 T C 1.807 176.177 174.700 -0.551 0.000 1.016 94 T CA -0.206 61.537 62.100 -0.594 0.000 1.098 94 T CB 0.061 68.309 68.868 -1.034 0.000 0.954 94 T HN 0.402 nan 8.240 nan 0.000 0.469 95 L N 1.330 122.374 121.223 -0.298 0.000 1.997 95 L HA -0.336 4.004 4.340 -0.001 0.000 0.227 95 L C 2.846 179.668 176.870 -0.081 0.000 1.087 95 L CA 2.003 56.817 54.840 -0.043 0.000 0.797 95 L CB -0.347 41.847 42.059 0.225 0.000 0.902 95 L HN 0.312 nan 8.230 nan 0.000 0.441 96 Q N -0.649 119.112 119.800 -0.066 0.000 2.124 96 Q HA -0.246 4.094 4.340 -0.001 0.000 0.202 96 Q C 2.017 177.952 176.000 -0.109 0.000 0.977 96 Q CA 1.895 57.658 55.803 -0.066 0.000 0.850 96 Q CB -0.076 28.625 28.738 -0.062 0.000 0.901 96 Q HN 0.511 nan 8.270 nan 0.000 0.429 97 N N -1.231 117.366 118.700 -0.171 0.000 2.080 97 N HA -0.142 4.597 4.740 -0.001 0.000 0.189 97 N C 1.447 176.862 175.510 -0.159 0.000 1.036 97 N CA 1.756 54.703 53.050 -0.172 0.000 0.846 97 N CB 0.062 38.419 38.487 -0.218 0.000 1.015 97 N HN 0.203 nan 8.380 nan 0.000 0.423 98 T N 2.094 116.517 114.554 -0.219 0.000 2.592 98 T HA -0.232 4.118 4.350 -0.001 0.000 0.267 98 T C 2.062 176.701 174.700 -0.101 0.000 1.060 98 T CA 1.881 63.870 62.100 -0.185 0.000 1.167 98 T CB -0.343 68.356 68.868 -0.282 0.000 0.863 98 T HN 0.305 nan 8.240 nan 0.000 0.431 99 M N 1.092 120.650 119.600 -0.071 0.000 2.082 99 M HA -0.135 4.344 4.480 -0.001 0.000 0.258 99 M C 2.699 178.953 176.300 -0.077 0.000 1.069 99 M CA 1.766 57.035 55.300 -0.052 0.000 1.102 99 M CB -1.068 31.517 32.600 -0.024 0.000 1.336 99 M HN 0.343 nan 8.290 nan 0.000 0.404 100 V N -1.581 118.289 119.914 -0.073 0.000 2.453 100 V HA -0.146 3.973 4.120 -0.001 0.000 0.247 100 V C 1.391 177.402 176.094 -0.139 0.000 1.048 100 V CA 2.139 64.401 62.300 -0.063 0.000 1.049 100 V CB -1.224 30.600 31.823 0.001 0.000 0.672 100 V HN 0.391 nan 8.190 nan 0.000 0.457 101 N N 0.591 119.204 118.700 -0.145 0.000 2.396 101 N HA 0.050 4.790 4.740 -0.001 0.000 0.180 101 N C 1.295 176.618 175.510 -0.313 0.000 1.028 101 N CA 0.911 53.804 53.050 -0.261 0.000 0.893 101 N CB -0.229 38.184 38.487 -0.124 0.000 0.967 101 N HN 0.379 nan 8.380 nan 0.000 0.440 102 L N -0.161 120.945 121.223 -0.196 0.000 2.477 102 L HA 0.350 4.690 4.340 -0.001 0.000 0.220 102 L C 0.700 177.476 176.870 -0.157 0.000 1.106 102 L CA 0.161 54.911 54.840 -0.150 0.000 0.851 102 L CB -0.507 41.508 42.059 -0.073 0.000 0.994 102 L HN 0.170 nan 8.230 nan 0.000 0.462 103 A N -1.050 121.666 122.820 -0.174 0.000 2.925 103 A HA -0.213 4.107 4.320 -0.001 0.000 0.265 103 A C 1.038 178.567 177.584 -0.093 0.000 1.419 103 A CA 0.817 52.773 52.037 -0.135 0.000 0.807 103 A CB -2.180 16.739 19.000 -0.135 0.000 1.043 103 A HN 0.212 nan 8.150 nan 0.000 0.600 104 L N -0.278 120.890 121.223 -0.092 0.000 2.592 104 L HA 0.194 4.534 4.340 -0.001 0.000 0.227 104 L C 1.873 178.708 176.870 -0.058 0.000 1.127 104 L CA 1.603 56.387 54.840 -0.093 0.000 0.884 104 L CB -0.315 41.674 42.059 -0.117 0.000 1.065 104 L HN 0.618 nan 8.230 nan 0.000 0.457 105 E N -0.137 120.038 120.200 -0.042 0.000 2.038 105 E HA -0.226 4.124 4.350 -0.001 0.000 0.195 105 E C 1.570 178.165 176.600 -0.008 0.000 1.000 105 E CA 1.427 57.815 56.400 -0.020 0.000 0.803 105 E CB 0.233 29.924 29.700 -0.016 0.000 0.750 105 E HN 0.504 nan 8.360 nan 0.000 0.448 106 N N 0.588 119.283 118.700 -0.009 0.000 2.058 106 N HA -0.168 4.571 4.740 -0.001 0.000 0.191 106 N C 1.720 177.235 175.510 0.010 0.000 1.037 106 N CA 1.410 54.460 53.050 -0.001 0.000 0.848 106 N CB -0.708 37.778 38.487 -0.002 0.000 1.021 106 N HN 0.181 nan 8.380 nan 0.000 0.422 107 A N 0.502 123.323 122.820 0.001 0.000 1.978 107 A HA -0.159 4.161 4.320 -0.001 0.000 0.220 107 A C 2.671 180.264 177.584 0.016 0.000 1.170 107 A CA 1.292 53.333 52.037 0.007 0.000 0.636 107 A CB -1.069 17.922 19.000 -0.014 0.000 0.810 107 A HN 0.442 nan 8.150 nan 0.000 0.448 108 C N -1.277 118.029 119.300 0.010 0.000 2.489 108 C HA -0.047 4.413 4.460 -0.001 0.000 0.279 108 C C 2.501 177.514 174.990 0.038 0.000 1.266 108 C CA 1.085 60.120 59.018 0.028 0.000 1.707 108 C CB -0.925 26.834 27.740 0.032 0.000 2.059 108 C HN 0.686 nan 8.230 nan 0.000 0.481 109 D N 0.405 120.826 120.400 0.036 0.000 2.106 109 D HA -0.186 4.453 4.640 -0.001 0.000 0.191 109 D C 2.032 178.383 176.300 0.085 0.000 0.997 109 D CA 1.915 55.941 54.000 0.044 0.000 0.834 109 D CB -0.368 40.446 40.800 0.024 0.000 0.956 109 D HN 0.596 nan 8.370 nan 0.000 0.448 110 E N 0.371 120.634 120.200 0.106 0.000 2.033 110 E HA -0.198 4.152 4.350 -0.001 0.000 0.199 110 E C 1.957 178.627 176.600 0.117 0.000 1.011 110 E CA 1.942 58.468 56.400 0.211 0.000 0.815 110 E CB -0.476 29.316 29.700 0.154 0.000 0.755 110 E HN 0.226 nan 8.360 nan 0.000 0.451 111 A N -0.148 122.693 122.820 0.035 0.000 1.896 111 A HA -0.326 3.994 4.320 -0.001 0.000 0.220 111 A C 2.515 180.029 177.584 -0.115 0.000 1.206 111 A CA 3.337 55.354 52.037 -0.033 0.000 0.647 111 A CB -1.703 17.296 19.000 -0.002 0.000 0.828 111 A HN 0.560 nan 8.150 nan 0.000 0.455 112 T N -2.597 111.894 114.554 -0.106 0.000 2.915 112 T HA -0.177 4.173 4.350 -0.001 0.000 0.269 112 T C 1.735 176.380 174.700 -0.092 0.000 1.071 112 T CA 1.455 63.448 62.100 -0.178 0.000 1.132 112 T CB -0.511 68.286 68.868 -0.117 0.000 0.878 112 T HN 0.656 nan 8.240 nan 0.000 0.479 113 Y N 2.356 122.598 120.300 -0.097 0.000 2.200 113 Y HA -0.033 4.516 4.550 -0.001 0.000 0.290 113 Y C 2.287 178.143 175.900 -0.075 0.000 1.137 113 Y CA 0.944 59.000 58.100 -0.074 0.000 1.163 113 Y CB -0.655 37.776 38.460 -0.048 0.000 0.988 113 Y HN 0.207 nan 8.280 nan 0.000 0.518 114 Q N 0.048 119.566 119.800 -0.469 0.000 2.123 114 Q HA -0.031 4.309 4.340 -0.001 0.000 0.199 114 Q C 2.151 177.978 176.000 -0.288 0.000 0.966 114 Q CA 1.447 56.939 55.803 -0.518 0.000 0.845 114 Q CB -0.058 28.461 28.738 -0.365 0.000 0.907 114 Q HN 0.503 nan 8.270 nan 0.000 0.439 115 L N -0.315 120.764 121.223 -0.239 0.000 2.554 115 L HA 0.095 4.434 4.340 -0.001 0.000 0.226 115 L C 0.835 177.594 176.870 -0.184 0.000 1.137 115 L CA 0.327 55.037 54.840 -0.216 0.000 0.863 115 L CB -0.118 41.738 42.059 -0.337 0.000 0.985 115 L HN 0.376 nan 8.230 nan 0.000 0.451 116 G N 1.087 109.785 108.800 -0.169 0.000 2.256 116 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.272 116 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.272 116 G C -0.298 174.514 174.900 -0.147 0.000 1.076 116 G CA -0.053 44.974 45.100 -0.122 0.000 0.882 116 G HN 0.250 nan 8.290 nan 0.000 0.497 117 L N -0.721 120.402 121.223 -0.168 0.000 2.370 117 L HA 0.626 4.965 4.340 -0.001 0.000 0.266 117 L C -0.411 176.401 176.870 -0.097 0.000 1.002 117 L CA -1.287 53.439 54.840 -0.190 0.000 0.818 117 L CB 1.980 43.875 42.059 -0.273 0.000 1.325 117 L HN 0.105 nan 8.230 nan 0.000 0.418 118 D N 1.368 121.730 120.400 -0.063 0.000 2.280 118 D HA 0.246 4.885 4.640 -0.001 0.000 0.243 118 D C 0.525 176.829 176.300 0.007 0.000 1.129 118 D CA -0.154 53.834 54.000 -0.020 0.000 0.848 118 D CB 1.535 42.323 40.800 -0.020 0.000 1.107 118 D HN 0.512 nan 8.370 nan 0.000 0.471 119 M N 2.981 122.593 119.600 0.021 0.000 2.073 119 M HA -0.079 4.401 4.480 -0.001 0.000 0.259 119 M C 1.583 177.911 176.300 0.047 0.000 1.079 119 M CA 1.408 56.736 55.300 0.047 0.000 1.131 119 M CB 0.026 32.654 32.600 0.048 0.000 1.316 119 M HN 0.489 nan 8.290 nan 0.000 0.415 120 E N 0.024 120.241 120.200 0.028 0.000 2.219 120 E HA -0.266 4.084 4.350 -0.001 0.000 0.198 120 E C 1.804 178.413 176.600 0.016 0.000 0.998 120 E CA 1.450 57.862 56.400 0.020 0.000 0.818 120 E CB -0.031 29.676 29.700 0.011 0.000 0.741 120 E HN 0.545 nan 8.360 nan 0.000 0.477 121 E N 0.059 120.267 120.200 0.013 0.000 2.058 121 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 121 E C 2.054 178.662 176.600 0.013 0.000 0.997 121 E CA 0.937 57.340 56.400 0.005 0.000 0.801 121 E CB -0.011 29.687 29.700 -0.003 0.000 0.746 121 E HN 0.303 nan 8.360 nan 0.000 0.450 122 L N 0.544 121.799 121.223 0.054 0.000 2.131 122 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 122 L C 2.236 179.149 176.870 0.071 0.000 1.092 122 L CA 1.108 56.019 54.840 0.118 0.000 0.759 122 L CB -0.382 41.815 42.059 0.230 0.000 0.903 122 L HN 0.145 nan 8.230 nan 0.000 0.435 123 E N -0.154 120.078 120.200 0.053 0.000 2.204 123 E HA -0.169 4.180 4.350 -0.001 0.000 0.194 123 E C 1.585 178.143 176.600 -0.069 0.000 0.989 123 E CA 0.567 56.976 56.400 0.016 0.000 0.824 123 E CB 0.097 29.810 29.700 0.022 0.000 0.756 123 E HN 0.370 nan 8.360 nan 0.000 0.477 124 E N 0.309 120.470 120.200 -0.064 0.000 2.502 124 E HA -0.042 4.307 4.350 -0.001 0.000 0.194 124 E C 1.421 177.934 176.600 -0.145 0.000 1.062 124 E CA 0.239 56.592 56.400 -0.079 0.000 0.867 124 E CB 0.295 29.974 29.700 -0.034 0.000 0.888 124 E HN 0.315 nan 8.360 nan 0.000 0.510 125 I N 0.298 120.706 120.570 -0.269 0.000 3.226 125 I HA 0.017 4.186 4.170 -0.001 0.000 0.277 125 I C 1.172 176.962 176.117 -0.544 0.000 1.243 125 I CA 0.234 61.306 61.300 -0.380 0.000 1.459 125 I CB -0.464 37.266 38.000 -0.451 0.000 1.093 125 I HN 0.062 nan 8.210 nan 0.000 0.453 126 E N 2.546 122.391 120.200 -0.591 0.000 2.366 126 E HA 0.081 4.431 4.350 -0.001 0.000 0.266 126 E C -0.004 176.517 176.600 -0.132 0.000 1.051 126 E CA -0.141 56.014 56.400 -0.408 0.000 0.884 126 E CB 1.084 30.668 29.700 -0.193 0.000 1.006 126 E HN 0.305 nan 8.360 nan 0.000 0.417 127 E N 2.945 123.155 120.200 0.016 0.000 2.277 127 E HA 0.180 4.529 4.350 -0.001 0.000 0.266 127 E C -1.213 175.453 176.600 0.109 0.000 0.901 127 E CA -0.874 55.571 56.400 0.076 0.000 0.782 127 E CB 1.188 30.975 29.700 0.145 0.000 1.228 127 E HN 0.353 nan 8.360 nan 0.000 0.424 128 D N 1.597 122.031 120.400 0.058 0.000 2.434 128 D HA 0.155 4.795 4.640 -0.001 0.000 0.252 128 D C -0.449 175.856 176.300 0.009 0.000 1.185 128 D CA 0.506 54.504 54.000 -0.003 0.000 0.886 128 D CB 0.863 41.631 40.800 -0.053 0.000 1.148 128 D HN 0.534 nan 8.370 nan 0.000 0.483 129 A N 3.630 126.439 122.820 -0.018 0.000 2.729 129 A HA 0.283 4.602 4.320 -0.001 0.000 0.291 129 A C 1.178 178.368 177.584 -0.657 0.000 1.574 129 A CA -0.003 51.932 52.037 -0.170 0.000 1.194 129 A CB -0.613 18.376 19.000 -0.017 0.000 1.047 129 A HN 0.587 nan 8.150 nan 0.000 0.578 130 G N 1.226 109.239 108.800 -1.311 0.000 2.624 130 G HA2 0.359 4.319 3.960 -0.001 0.000 0.292 130 G HA3 0.359 4.319 3.960 -0.001 0.000 0.292 130 G C 0.060 174.326 174.900 -1.057 0.000 0.777 130 G CA 0.057 44.450 45.100 -1.177 0.000 1.883 130 G HN 0.930 nan 8.290 nan 0.000 0.505 131 L N 1.401 122.377 121.223 -0.412 0.000 3.631 131 L HA 0.537 4.877 4.340 -0.001 0.000 0.346 131 L C 0.513 177.441 176.870 0.096 0.000 1.329 131 L CA 0.426 55.251 54.840 -0.025 0.000 1.018 131 L CB 0.193 42.193 42.059 -0.098 0.000 1.412 131 L HN 0.640 nan 8.230 nan 0.000 0.618 132 G N -0.811 107.958 108.800 -0.052 0.000 2.356 132 G HA2 0.269 4.229 3.960 -0.001 0.000 0.294 132 G HA3 0.269 4.229 3.960 -0.001 0.000 0.294 132 G C -0.711 173.870 174.900 -0.531 0.000 1.423 132 G CA 0.169 45.181 45.100 -0.148 0.000 0.806 132 G HN -0.074 nan 8.290 nan 0.000 0.527 133 N N -1.751 116.424 118.700 -0.875 0.000 3.166 133 N HA 0.394 5.133 4.740 -0.001 0.000 0.242 133 N C 1.084 175.945 175.510 -1.082 0.000 1.017 133 N CA 1.496 54.024 53.050 -0.870 0.000 1.113 133 N CB 0.624 38.883 38.487 -0.379 0.000 1.629 133 N HN 0.985 nan 8.380 nan 0.000 0.601 134 G N -1.371 107.044 108.800 -0.641 0.000 3.252 134 G HA2 0.423 4.383 3.960 -0.001 0.000 0.181 134 G HA3 0.423 4.383 3.960 -0.001 0.000 0.181 134 G C 0.695 175.593 174.900 -0.002 0.000 1.187 134 G CA 0.074 45.031 45.100 -0.238 0.000 0.886 134 G HN 0.301 nan 8.290 nan 0.000 0.615 135 G N -0.102 108.727 108.800 0.049 0.000 2.469 135 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.219 135 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.219 135 G C 1.749 176.656 174.900 0.012 0.000 1.150 135 G CA 1.538 46.678 45.100 0.068 0.000 0.763 135 G HN 0.631 nan 8.290 nan 0.000 0.561 136 L N 1.565 122.735 121.223 -0.088 0.000 2.201 136 L HA 0.250 4.589 4.340 -0.001 0.000 0.212 136 L C 2.563 179.365 176.870 -0.113 0.000 1.105 136 L CA 2.016 56.746 54.840 -0.184 0.000 0.775 136 L CB -0.819 41.033 42.059 -0.344 0.000 0.913 136 L HN 0.117 nan 8.230 nan 0.000 0.440 137 G N -0.597 108.171 108.800 -0.053 0.000 2.404 137 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.215 137 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.215 137 G C 1.709 176.714 174.900 0.174 0.000 1.174 137 G CA 0.655 45.770 45.100 0.025 0.000 0.780 137 G HN 0.364 nan 8.290 nan 0.000 0.537 138 R N 0.056 120.732 120.500 0.294 0.000 2.105 138 R HA -0.016 4.323 4.340 -0.001 0.000 0.239 138 R C 2.376 178.769 176.300 0.155 0.000 1.135 138 R CA 1.119 57.362 56.100 0.238 0.000 0.967 138 R CB -0.963 29.476 30.300 0.233 0.000 0.861 138 R HN 0.347 nan 8.270 nan 0.000 0.442 139 L N 0.170 121.428 121.223 0.058 0.000 1.990 139 L HA -0.111 4.228 4.340 -0.001 0.000 0.213 139 L C 2.113 178.890 176.870 -0.156 0.000 1.072 139 L CA 2.465 57.242 54.840 -0.106 0.000 0.755 139 L CB -1.184 40.729 42.059 -0.243 0.000 0.889 139 L HN 0.263 nan 8.230 nan 0.000 0.432 140 A N -0.790 122.019 122.820 -0.019 0.000 1.986 140 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 140 A C 2.359 180.142 177.584 0.332 0.000 1.171 140 A CA 2.013 54.187 52.037 0.229 0.000 0.640 140 A CB -1.116 18.015 19.000 0.219 0.000 0.811 140 A HN 0.623 nan 8.150 nan 0.000 0.451 141 A N -1.657 121.328 122.820 0.275 0.000 2.072 141 A HA 0.039 4.358 4.320 -0.001 0.000 0.216 141 A C 2.169 179.860 177.584 0.178 0.000 1.156 141 A CA 1.258 53.435 52.037 0.232 0.000 0.701 141 A CB -0.858 18.248 19.000 0.178 0.000 0.816 141 A HN 0.592 nan 8.150 nan 0.000 0.458 142 C N -1.682 117.755 119.300 0.228 0.000 2.518 142 C HA 0.031 4.491 4.460 -0.001 0.000 0.279 142 C C 2.258 177.442 174.990 0.323 0.000 1.279 142 C CA 0.426 59.604 59.018 0.267 0.000 1.703 142 C CB -1.607 26.341 27.740 0.346 0.000 2.072 142 C HN 0.612 nan 8.230 nan 0.000 0.487 143 F N 1.496 121.484 119.950 0.063 0.000 2.192 143 F HA -0.107 4.419 4.527 -0.001 0.000 0.301 143 F C 2.176 177.936 175.800 -0.068 0.000 1.079 143 F CA 1.099 59.093 58.000 -0.010 0.000 1.303 143 F CB -1.140 37.792 39.000 -0.113 0.000 1.024 143 F HN 0.203 nan 8.300 nan 0.000 0.494 144 L N -0.700 120.603 121.223 0.134 0.000 2.109 144 L HA -0.173 4.167 4.340 -0.001 0.000 0.207 144 L C 2.430 179.302 176.870 0.003 0.000 1.086 144 L CA 1.441 56.294 54.840 0.022 0.000 0.760 144 L CB -0.603 41.458 42.059 0.003 0.000 0.910 144 L HN 0.080 nan 8.230 nan 0.000 0.437 145 D N -0.324 120.092 120.400 0.026 0.000 2.117 145 D HA -0.165 4.475 4.640 -0.001 0.000 0.197 145 D C 2.060 178.371 176.300 0.019 0.000 0.987 145 D CA 1.459 55.463 54.000 0.007 0.000 0.829 145 D CB 0.341 41.146 40.800 0.010 0.000 0.961 145 D HN 0.151 nan 8.370 nan 0.000 0.460 146 S N -0.331 115.391 115.700 0.037 0.000 2.387 146 S HA -0.005 4.465 4.470 -0.001 0.000 0.226 146 S C 2.112 176.721 174.600 0.015 0.000 1.026 146 S CA 0.481 58.694 58.200 0.021 0.000 0.972 146 S CB -0.071 63.132 63.200 0.005 0.000 0.814 146 S HN 0.312 nan 8.310 nan 0.000 0.477 147 M N 1.030 120.637 119.600 0.011 0.000 2.149 147 M HA -0.169 4.311 4.480 -0.001 0.000 0.261 147 M C 2.367 178.666 176.300 -0.001 0.000 1.064 147 M CA 1.573 56.880 55.300 0.012 0.000 1.102 147 M CB -0.456 32.124 32.600 -0.033 0.000 1.369 147 M HN 0.413 nan 8.290 nan 0.000 0.408 148 A N -0.560 122.251 122.820 -0.015 0.000 1.898 148 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 148 A C 2.123 179.717 177.584 0.016 0.000 1.181 148 A CA 2.016 54.048 52.037 -0.008 0.000 0.620 148 A CB -1.030 17.952 19.000 -0.030 0.000 0.819 148 A HN 0.434 nan 8.150 nan 0.000 0.442 149 T N 0.329 114.897 114.554 0.022 0.000 2.915 149 T HA 0.037 4.387 4.350 -0.001 0.000 0.269 149 T C 1.344 176.065 174.700 0.035 0.000 1.071 149 T CA 0.807 62.930 62.100 0.038 0.000 1.132 149 T CB -0.199 68.699 68.868 0.049 0.000 0.878 149 T HN 0.283 nan 8.240 nan 0.000 0.479 150 L N 0.790 122.032 121.223 0.032 0.000 2.612 150 L HA 0.242 4.581 4.340 -0.001 0.000 0.230 150 L C 1.448 178.350 176.870 0.053 0.000 1.140 150 L CA 0.034 54.896 54.840 0.037 0.000 0.896 150 L CB -0.910 41.170 42.059 0.035 0.000 1.065 150 L HN 0.420 nan 8.230 nan 0.000 0.447 151 G N 1.663 110.496 108.800 0.055 0.000 2.359 151 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.298 151 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.298 151 G C -0.104 174.867 174.900 0.118 0.000 1.030 151 G CA 0.138 45.289 45.100 0.084 0.000 1.149 151 G HN 0.282 nan 8.290 nan 0.000 0.512 152 L N -0.429 120.839 121.223 0.074 0.000 2.358 152 L HA 0.713 5.052 4.340 -0.001 0.000 0.268 152 L C 1.260 178.067 176.870 -0.104 0.000 1.032 152 L CA -0.660 54.193 54.840 0.022 0.000 0.805 152 L CB 1.638 43.694 42.059 -0.006 0.000 1.253 152 L HN 0.344 nan 8.230 nan 0.000 0.452 153 A N 1.904 124.579 122.820 -0.241 0.000 3.063 153 A HA 0.561 4.880 4.320 -0.001 0.000 0.263 153 A C 0.094 177.398 177.584 -0.467 0.000 1.736 153 A CA -0.127 51.556 52.037 -0.590 0.000 1.408 153 A CB -0.866 17.897 19.000 -0.396 0.000 1.108 153 A HN 0.575 nan 8.150 nan 0.000 0.621 154 A N 1.469 123.982 122.820 -0.512 0.000 2.291 154 A HA 0.683 5.003 4.320 -0.001 0.000 0.311 154 A C -1.117 176.214 177.584 -0.422 0.000 1.224 154 A CA -0.389 51.414 52.037 -0.389 0.000 0.821 154 A CB 0.449 19.275 19.000 -0.290 0.000 1.172 154 A HN 0.503 nan 8.150 nan 0.000 0.494 155 Y N 1.031 121.182 120.300 -0.249 0.000 2.341 155 Y HA 0.538 5.087 4.550 -0.001 0.000 0.337 155 Y C 1.029 176.921 175.900 -0.013 0.000 1.014 155 Y CA -0.481 57.551 58.100 -0.114 0.000 1.111 155 Y CB 2.092 40.602 38.460 0.083 0.000 1.194 155 Y HN 0.746 nan 8.280 nan 0.000 0.462 156 G N 2.755 111.518 108.800 -0.061 0.000 2.319 156 G HA2 0.425 4.384 3.960 -0.001 0.000 0.308 156 G HA3 0.425 4.384 3.960 -0.001 0.000 0.308 156 G C -1.717 173.081 174.900 -0.170 0.000 1.117 156 G CA -0.214 44.842 45.100 -0.073 0.000 0.903 156 G HN 0.471 nan 8.290 nan 0.000 0.436 157 Y N 0.869 121.275 120.300 0.176 0.000 2.409 157 Y HA 0.697 5.246 4.550 -0.001 0.000 0.343 157 Y C 0.703 176.838 175.900 0.391 0.000 0.973 157 Y CA 0.065 58.283 58.100 0.197 0.000 1.064 157 Y CB 2.801 41.417 38.460 0.260 0.000 1.207 157 Y HN 0.889 nan 8.280 nan 0.000 0.452 158 G N 2.080 111.179 108.800 0.498 0.000 2.554 158 G HA2 0.484 4.443 3.960 -0.001 0.000 0.306 158 G HA3 0.484 4.443 3.960 -0.001 0.000 0.306 158 G C -1.978 173.183 174.900 0.435 0.000 1.320 158 G CA -0.830 44.605 45.100 0.557 0.000 0.800 158 G HN 0.498 nan 8.290 nan 0.000 0.481 159 I N 0.607 121.366 120.570 0.315 0.000 2.437 159 I HA 0.451 4.620 4.170 -0.001 0.000 0.298 159 I C 0.469 176.586 176.117 -0.001 0.000 0.984 159 I CA -0.801 60.609 61.300 0.184 0.000 1.214 159 I CB 1.794 39.775 38.000 -0.032 0.000 1.365 159 I HN 0.419 nan 8.210 nan 0.000 0.469 160 R N 6.204 126.728 120.500 0.039 0.000 2.198 160 R HA 0.295 4.634 4.340 -0.001 0.000 0.339 160 R C -1.673 174.620 176.300 -0.012 0.000 1.020 160 R CA -0.399 55.730 56.100 0.049 0.000 0.864 160 R CB 0.522 30.825 30.300 0.005 0.000 1.105 160 R HN 0.402 nan 8.270 nan 0.000 0.463 161 Y N 2.724 123.191 120.300 0.278 0.000 2.319 161 Y HA 0.048 4.598 4.550 -0.001 0.000 0.328 161 Y C 1.345 177.443 175.900 0.330 0.000 1.133 161 Y CA -0.200 58.056 58.100 0.260 0.000 1.265 161 Y CB 1.544 40.145 38.460 0.234 0.000 1.218 161 Y HN 0.702 nan 8.280 nan 0.000 0.508 162 E N 1.668 122.017 120.200 0.249 0.000 2.072 162 E HA -0.079 4.270 4.350 -0.001 0.000 0.190 162 E C 0.493 176.992 176.600 -0.167 0.000 0.982 162 E CA 1.248 57.535 56.400 -0.190 0.000 0.803 162 E CB 0.001 29.404 29.700 -0.494 0.000 0.755 162 E HN 0.628 nan 8.360 nan 0.000 0.453 163 F N -0.427 119.809 119.950 0.476 0.000 2.639 163 F HA 0.350 4.877 4.527 -0.001 0.000 0.302 163 F C 1.293 177.268 175.800 0.292 0.000 1.097 163 F CA 0.304 58.540 58.000 0.393 0.000 1.294 163 F CB 0.433 39.573 39.000 0.234 0.000 1.027 163 F HN 0.097 nan 8.300 nan 0.000 0.550 164 G N 1.362 110.345 108.800 0.306 0.000 2.611 164 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.301 164 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.301 164 G C -0.375 174.488 174.900 -0.062 0.000 1.233 164 G CA 0.103 45.170 45.100 -0.055 0.000 0.993 164 G HN 0.171 nan 8.290 nan 0.000 0.553 165 I N 1.278 121.834 120.570 -0.023 0.000 2.586 165 I HA 0.426 4.595 4.170 -0.001 0.000 0.288 165 I C 0.927 177.099 176.117 0.092 0.000 1.147 165 I CA -0.618 60.720 61.300 0.063 0.000 1.047 165 I CB 1.030 38.974 38.000 -0.094 0.000 1.244 165 I HN 0.840 nan 8.210 nan 0.000 0.429 166 F N 6.565 126.557 119.950 0.071 0.000 1.909 166 F HA -0.185 4.342 4.527 -0.001 0.000 0.144 166 F C -0.276 175.589 175.800 0.108 0.000 0.489 166 F CA 0.302 58.360 58.000 0.097 0.000 0.679 166 F CB -0.616 38.434 39.000 0.084 0.000 0.773 166 F HN 0.523 nan 8.300 nan 0.000 0.666 167 N N -0.393 118.473 118.700 0.276 0.000 2.240 167 N HA 0.276 5.015 4.740 -0.001 0.000 0.302 167 N C -1.649 174.022 175.510 0.268 0.000 1.106 167 N CA -1.063 52.079 53.050 0.153 0.000 0.778 167 N CB 2.004 40.582 38.487 0.150 0.000 1.431 167 N HN 0.752 nan 8.380 nan 0.000 0.479 168 Q N 2.070 121.995 119.800 0.209 0.000 2.243 168 Q HA 0.337 4.677 4.340 -0.001 0.000 0.252 168 Q C -1.337 174.778 176.000 0.190 0.000 0.909 168 Q CA -0.223 55.730 55.803 0.250 0.000 0.922 168 Q CB 0.961 29.845 28.738 0.244 0.000 1.215 168 Q HN 0.274 nan 8.270 nan 0.000 0.427 169 K N 3.337 123.844 120.400 0.178 0.000 2.316 169 K HA 0.462 4.782 4.320 -0.001 0.000 0.251 169 K C -1.059 175.618 176.600 0.129 0.000 0.934 169 K CA -0.680 55.688 56.287 0.136 0.000 0.802 169 K CB 1.409 33.983 32.500 0.123 0.000 1.171 169 K HN 0.631 nan 8.250 nan 0.000 0.426 170 I N 2.720 123.349 120.570 0.097 0.000 2.395 170 I HA 0.198 4.368 4.170 -0.001 0.000 0.289 170 I C -0.385 175.783 176.117 0.084 0.000 1.023 170 I CA -0.552 60.798 61.300 0.083 0.000 1.350 170 I CB 0.740 38.771 38.000 0.053 0.000 1.409 170 I HN 0.488 nan 8.210 nan 0.000 0.507 171 C N 4.413 123.783 119.300 0.117 0.000 2.321 171 C HA 0.534 4.994 4.460 -0.001 0.000 0.323 171 C C 0.991 176.091 174.990 0.183 0.000 1.191 171 C CA -0.618 58.480 59.018 0.133 0.000 1.455 171 C CB 0.165 27.990 27.740 0.142 0.000 2.083 171 C HN 1.091 nan 8.230 nan 0.000 0.442 172 G N 2.735 111.596 108.800 0.101 0.000 2.295 172 G HA2 0.172 4.131 3.960 -0.001 0.000 0.287 172 G HA3 0.172 4.131 3.960 -0.001 0.000 0.287 172 G C 1.123 175.916 174.900 -0.178 0.000 1.055 172 G CA 0.989 46.125 45.100 0.060 0.000 0.922 172 G HN 2.234 nan 8.290 nan 0.000 0.503 173 G N -1.701 106.977 108.800 -0.203 0.000 2.417 173 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.233 173 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.233 173 G C 0.848 175.509 174.900 -0.398 0.000 1.103 173 G CA 0.604 45.474 45.100 -0.383 0.000 0.647 173 G HN 1.305 nan 8.290 nan 0.000 0.512 174 W N 1.889 123.158 121.300 -0.052 0.000 2.148 174 W HA 0.529 5.189 4.660 -0.001 0.000 0.347 174 W C 1.003 177.498 176.519 -0.039 0.000 1.288 174 W CA -0.144 57.170 57.345 -0.053 0.000 1.252 174 W CB 0.377 29.817 29.460 -0.032 0.000 1.156 174 W HN 0.266 nan 8.180 nan 0.000 0.580 175 Q N 2.631 122.574 119.800 0.238 0.000 2.303 175 Q HA 0.298 4.637 4.340 -0.001 0.000 0.257 175 Q C -0.954 175.139 176.000 0.155 0.000 0.941 175 Q CA -0.773 55.122 55.803 0.153 0.000 0.931 175 Q CB 0.923 29.734 28.738 0.121 0.000 1.215 175 Q HN 0.323 nan 8.270 nan 0.000 0.437 176 M N 3.715 123.405 119.600 0.150 0.000 2.363 176 M HA 0.232 4.712 4.480 -0.001 0.000 0.343 176 M C -1.026 175.362 176.300 0.147 0.000 1.165 176 M CA -0.579 54.794 55.300 0.122 0.000 1.046 176 M CB 1.538 34.208 32.600 0.116 0.000 1.648 176 M HN 0.473 nan 8.290 nan 0.000 0.452 177 E N 3.337 123.599 120.200 0.105 0.000 2.331 177 E HA 0.349 4.698 4.350 -0.001 0.000 0.243 177 E C -1.152 175.544 176.600 0.159 0.000 0.925 177 E CA -0.405 56.103 56.400 0.181 0.000 0.760 177 E CB 0.321 30.039 29.700 0.030 0.000 1.254 177 E HN 0.659 nan 8.360 nan 0.000 0.419 178 E N 1.489 121.802 120.200 0.188 0.000 2.392 178 E HA 0.443 4.793 4.350 -0.001 0.000 0.256 178 E C -0.116 176.602 176.600 0.196 0.000 1.145 178 E CA -0.498 55.995 56.400 0.157 0.000 0.929 178 E CB 0.782 30.572 29.700 0.151 0.000 0.998 178 E HN 0.637 nan 8.360 nan 0.000 0.442 179 A N 0.932 123.854 122.820 0.170 0.000 2.269 179 A HA 0.209 4.528 4.320 -0.001 0.000 0.319 179 A C -0.581 177.172 177.584 0.282 0.000 1.110 179 A CA -0.563 51.611 52.037 0.229 0.000 0.847 179 A CB 0.737 19.839 19.000 0.169 0.000 1.161 179 A HN 0.679 nan 8.150 nan 0.000 0.497 180 D N 0.481 121.092 120.400 0.351 0.000 2.499 180 D HA 0.341 4.981 4.640 -0.001 0.000 0.225 180 D C -0.995 175.628 176.300 0.538 0.000 1.124 180 D CA -0.416 53.806 54.000 0.370 0.000 0.938 180 D CB 0.231 41.196 40.800 0.276 0.000 1.014 180 D HN 0.387 nan 8.370 nan 0.000 0.517 181 D N 3.609 124.264 120.400 0.426 0.000 2.631 181 D HA -0.003 4.637 4.640 -0.001 0.000 0.227 181 D C 1.218 177.613 176.300 0.160 0.000 1.146 181 D CA -0.898 53.284 54.000 0.304 0.000 1.009 181 D CB -0.331 40.621 40.800 0.254 0.000 1.057 181 D HN 0.521 nan 8.370 nan 0.000 0.509 182 W N 1.129 122.477 121.300 0.079 0.000 2.538 182 W HA 0.053 4.713 4.660 -0.001 0.000 0.254 182 W C -0.834 175.724 176.519 0.065 0.000 1.249 182 W CA -0.439 56.955 57.345 0.082 0.000 1.253 182 W CB -0.771 28.745 29.460 0.093 0.000 1.130 182 W HN 0.106 nan 8.180 nan 0.000 0.618 183 L N 2.327 122.969 121.223 -0.968 0.000 2.294 183 L HA 0.432 4.771 4.340 -0.001 0.000 0.283 183 L C 1.314 177.929 176.870 -0.426 0.000 1.015 183 L CA -0.158 54.193 54.840 -0.815 0.000 0.831 183 L CB 1.500 42.925 42.059 -1.057 0.000 1.217 183 L HN -0.090 nan 8.230 nan 0.000 0.420 184 R N 1.935 122.254 120.500 -0.302 0.000 3.054 184 R HA 0.030 4.370 4.340 -0.001 0.000 0.112 184 R C -0.291 175.701 176.300 -0.513 0.000 0.821 184 R CA -0.055 55.796 56.100 -0.415 0.000 2.011 184 R CB 0.346 30.377 30.300 -0.449 0.000 1.632 184 R HN 0.434 nan 8.270 nan 0.000 0.493 185 Y N 2.279 122.641 120.300 0.103 0.000 2.833 185 Y HA 0.483 5.033 4.550 -0.001 0.000 0.339 185 Y C 0.879 176.831 175.900 0.088 0.000 1.032 185 Y CA 0.326 58.518 58.100 0.153 0.000 1.450 185 Y CB 0.837 39.507 38.460 0.350 0.000 1.296 185 Y HN 0.547 nan 8.280 nan 0.000 0.535 186 G N 1.850 110.666 108.800 0.028 0.000 2.682 186 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.256 186 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.256 186 G C -0.469 174.455 174.900 0.039 0.000 1.333 186 G CA 0.052 45.125 45.100 -0.046 0.000 0.904 186 G HN 0.605 nan 8.290 nan 0.000 0.569 187 N N 0.432 119.133 118.700 0.000 0.000 2.607 187 N HA 0.479 5.219 4.740 -0.001 0.000 0.271 187 N C -0.792 174.707 175.510 -0.019 0.000 1.142 187 N CA -0.983 52.131 53.050 0.107 0.000 0.810 187 N CB 1.928 40.455 38.487 0.067 0.000 1.306 187 N HN 0.282 nan 8.380 nan 0.000 0.536 188 P HA -0.130 nan 4.420 nan 0.000 0.221 188 P C 0.450 177.263 177.300 -0.813 0.000 1.141 188 P CA 1.052 63.756 63.100 -0.661 0.000 0.794 188 P CB 0.072 31.178 31.700 -0.990 0.000 0.764 189 W N 1.648 122.922 121.300 -0.043 0.000 2.518 189 W HA 0.016 4.675 4.660 -0.001 0.000 0.273 189 W C 1.625 178.137 176.519 -0.011 0.000 1.247 189 W CA 0.068 57.386 57.345 -0.046 0.000 1.288 189 W CB -0.350 29.108 29.460 -0.003 0.000 1.107 189 W HN 0.069 nan 8.180 nan 0.000 0.586 190 E N 1.502 121.767 120.200 0.109 0.000 2.351 190 E HA 0.287 4.636 4.350 -0.001 0.000 0.255 190 E C -0.418 176.284 176.600 0.171 0.000 1.188 190 E CA -0.512 55.993 56.400 0.175 0.000 0.940 190 E CB 0.979 30.813 29.700 0.225 0.000 1.094 190 E HN -0.322 nan 8.360 nan 0.000 0.474 191 K N 0.595 121.135 120.400 0.234 0.000 2.731 191 K HA 0.360 4.680 4.320 -0.001 0.000 0.257 191 K C -1.297 175.361 176.600 0.097 0.000 1.032 191 K CA -0.164 56.224 56.287 0.167 0.000 0.983 191 K CB 1.251 33.870 32.500 0.199 0.000 1.248 191 K HN 0.709 nan 8.250 nan 0.000 0.484 192 A N 3.799 126.612 122.820 -0.013 0.000 2.587 192 A HA 0.282 4.601 4.320 -0.001 0.000 0.233 192 A C -0.268 177.165 177.584 -0.251 0.000 1.049 192 A CA 0.295 52.098 52.037 -0.390 0.000 0.754 192 A CB 0.171 18.927 19.000 -0.405 0.000 0.977 192 A HN 0.615 nan 8.150 nan 0.000 0.509 193 R N 3.231 123.560 120.500 -0.285 0.000 2.585 193 R HA 0.215 4.555 4.340 -0.001 0.000 0.278 193 R C -2.458 173.754 176.300 -0.146 0.000 1.663 193 R CA -1.641 54.384 56.100 -0.125 0.000 1.592 193 R CB 1.017 31.397 30.300 0.133 0.000 1.200 193 R HN 0.590 nan 8.270 nan 0.000 0.611 194 P HA -0.136 nan 4.420 nan 0.000 0.221 194 P C 0.359 177.563 177.300 -0.160 0.000 1.145 194 P CA 1.073 64.094 63.100 -0.131 0.000 0.795 194 P CB 0.606 32.236 31.700 -0.117 0.000 0.775 195 E N -0.396 119.610 120.200 -0.324 0.000 2.118 195 E HA -0.134 4.215 4.350 -0.001 0.000 0.195 195 E C 1.154 177.496 176.600 -0.429 0.000 0.992 195 E CA 1.178 57.283 56.400 -0.492 0.000 0.804 195 E CB -0.812 28.315 29.700 -0.955 0.000 0.741 195 E HN 0.320 nan 8.360 nan 0.000 0.458 196 F N 0.699 120.659 119.950 0.017 0.000 2.660 196 F HA 0.175 4.702 4.527 -0.001 0.000 0.302 196 F C 0.354 176.225 175.800 0.119 0.000 1.103 196 F CA -0.192 57.847 58.000 0.065 0.000 1.340 196 F CB -0.607 38.438 39.000 0.075 0.000 1.048 196 F HN -0.294 nan 8.300 nan 0.000 0.551 197 T N 3.114 117.799 114.554 0.218 0.000 2.934 197 T HA 0.249 4.598 4.350 -0.001 0.000 0.306 197 T C 0.170 174.951 174.700 0.135 0.000 1.042 197 T CA 0.282 62.495 62.100 0.188 0.000 1.145 197 T CB 0.543 69.476 68.868 0.108 0.000 0.982 197 T HN 0.001 nan 8.240 nan 0.000 0.544 198 L N 5.818 127.090 121.223 0.082 0.000 2.346 198 L HA 0.480 4.819 4.340 -0.001 0.000 0.274 198 L C -2.039 174.790 176.870 -0.068 0.000 1.007 198 L CA -2.527 52.295 54.840 -0.030 0.000 0.818 198 L CB 2.219 44.184 42.059 -0.156 0.000 1.284 198 L HN 0.399 nan 8.230 nan 0.000 0.424 199 P HA 0.260 nan 4.420 nan 0.000 0.284 199 P C -1.117 176.152 177.300 -0.051 0.000 1.253 199 P CA -0.303 62.790 63.100 -0.010 0.000 0.800 199 P CB 2.124 33.853 31.700 0.048 0.000 0.961 200 V N 3.294 123.188 119.914 -0.034 0.000 2.876 200 V HA 0.378 4.497 4.120 -0.001 0.000 0.312 200 V C -0.142 175.968 176.094 0.027 0.000 1.085 200 V CA -0.643 61.585 62.300 -0.120 0.000 0.945 200 V CB 1.941 33.585 31.823 -0.298 0.000 1.017 200 V HN 0.612 nan 8.190 nan 0.000 0.428 201 H N 3.027 121.968 119.070 -0.215 0.000 2.495 201 H HA 0.607 5.163 4.556 -0.001 0.000 0.348 201 H C -1.527 173.671 175.328 -0.216 0.000 1.113 201 H CA -0.544 55.334 56.048 -0.283 0.000 1.195 201 H CB 2.163 31.574 29.762 -0.586 0.000 1.521 201 H HN 0.414 nan 8.280 nan 0.000 0.509 202 F N 1.237 121.300 119.950 0.188 0.000 2.577 202 F HA 0.253 4.780 4.527 -0.001 0.000 0.318 202 F C -0.279 175.612 175.800 0.153 0.000 1.065 202 F CA -0.902 57.166 58.000 0.113 0.000 0.929 202 F CB 0.681 39.702 39.000 0.035 0.000 1.237 202 F HN 0.618 nan 8.300 nan 0.000 0.468 203 Y N 0.007 120.564 120.300 0.428 0.000 2.922 203 Y HA 0.125 4.675 4.550 -0.001 0.000 0.464 203 Y C 1.006 177.109 175.900 0.339 0.000 1.226 203 Y CA 0.542 58.810 58.100 0.279 0.000 2.409 203 Y CB -1.629 36.928 38.460 0.162 0.000 1.270 203 Y HN 1.171 nan 8.280 nan 0.000 0.632 204 G N -0.036 109.015 108.800 0.419 0.000 2.384 204 G HA2 0.281 4.240 3.960 -0.001 0.000 0.204 204 G HA3 0.281 4.240 3.960 -0.001 0.000 0.204 204 G C -1.149 173.948 174.900 0.329 0.000 1.237 204 G CA -0.037 45.248 45.100 0.309 0.000 1.060 204 G HN 1.095 nan 8.290 nan 0.000 0.514 205 R N -1.432 119.281 120.500 0.355 0.000 2.604 205 R HA 0.598 4.937 4.340 -0.001 0.000 0.270 205 R C -1.601 174.843 176.300 0.241 0.000 1.052 205 R CA -0.691 55.552 56.100 0.238 0.000 0.902 205 R CB 2.029 32.422 30.300 0.155 0.000 1.233 205 R HN 0.791 nan 8.270 nan 0.000 0.455 206 V N 3.448 123.434 119.914 0.119 0.000 2.333 206 V HA 0.277 4.396 4.120 -0.001 0.000 0.274 206 V C 0.183 176.265 176.094 -0.021 0.000 1.028 206 V CA -0.484 61.828 62.300 0.020 0.000 0.851 206 V CB 1.220 32.964 31.823 -0.133 0.000 1.000 206 V HN 0.801 nan 8.190 nan 0.000 0.456 207 E N 2.812 123.008 120.200 -0.008 0.000 2.376 207 E HA 0.341 4.691 4.350 -0.001 0.000 0.254 207 E C -0.512 176.042 176.600 -0.077 0.000 1.213 207 E CA -0.437 55.976 56.400 0.023 0.000 0.945 207 E CB 0.551 30.278 29.700 0.045 0.000 1.057 207 E HN 0.627 nan 8.360 nan 0.000 0.479 208 H N 0.464 119.555 119.070 0.036 0.000 2.852 208 H HA 0.121 4.676 4.556 -0.001 0.000 0.274 208 H C -0.476 174.866 175.328 0.023 0.000 1.321 208 H CA -0.209 55.854 56.048 0.025 0.000 1.582 208 H CB 1.128 30.900 29.762 0.016 0.000 1.699 208 H HN 0.425 nan 8.280 nan 0.000 0.546 209 T N -0.191 114.421 114.554 0.096 0.000 2.793 209 T HA 0.014 4.363 4.350 -0.001 0.000 0.299 209 T C 1.774 176.513 174.700 0.065 0.000 1.038 209 T CA 0.459 62.601 62.100 0.069 0.000 0.948 209 T CB 1.287 70.183 68.868 0.046 0.000 1.231 209 T HN 0.501 nan 8.240 nan 0.000 0.538 210 S N -0.423 115.305 115.700 0.047 0.000 2.399 210 S HA -0.100 4.370 4.470 -0.001 0.000 0.231 210 S C 1.787 176.410 174.600 0.038 0.000 1.022 210 S CA 1.587 59.810 58.200 0.039 0.000 0.983 210 S CB -0.405 62.814 63.200 0.031 0.000 0.803 210 S HN 0.652 nan 8.310 nan 0.000 0.480 211 Q N 0.097 119.920 119.800 0.038 0.000 2.352 211 Q HA 0.416 4.755 4.340 -0.001 0.000 0.212 211 Q C 0.651 176.674 176.000 0.038 0.000 0.888 211 Q CA 0.684 56.508 55.803 0.035 0.000 0.934 211 Q CB 0.766 29.522 28.738 0.031 0.000 1.093 211 Q HN 0.613 nan 8.270 nan 0.000 0.523 212 G N -1.107 107.719 108.800 0.043 0.000 2.455 212 G HA2 0.490 4.450 3.960 -0.001 0.000 0.223 212 G HA3 0.490 4.450 3.960 -0.001 0.000 0.223 212 G C -1.569 173.347 174.900 0.028 0.000 1.226 212 G CA -0.296 44.828 45.100 0.041 0.000 0.948 212 G HN 0.277 nan 8.290 nan 0.000 0.478 213 A N -0.676 122.132 122.820 -0.020 0.000 2.282 213 A HA 0.926 5.246 4.320 -0.001 0.000 0.324 213 A C -0.284 177.281 177.584 -0.032 0.000 1.119 213 A CA -0.289 51.689 52.037 -0.099 0.000 0.880 213 A CB 1.604 20.459 19.000 -0.241 0.000 1.294 213 A HN 0.697 nan 8.150 nan 0.000 0.493 214 K N -0.810 119.582 120.400 -0.012 0.000 2.426 214 K HA 0.390 4.709 4.320 -0.001 0.000 0.251 214 K C -1.919 174.772 176.600 0.152 0.000 0.941 214 K CA -0.317 56.008 56.287 0.062 0.000 0.808 214 K CB 1.871 34.402 32.500 0.051 0.000 1.265 214 K HN 0.643 nan 8.250 nan 0.000 0.432 215 W N 5.449 126.736 121.300 -0.022 0.000 2.286 215 W HA 0.289 4.948 4.660 -0.001 0.000 0.296 215 W C -0.803 175.753 176.519 0.061 0.000 0.911 215 W CA -1.109 56.239 57.345 0.004 0.000 1.761 215 W CB -0.104 29.352 29.460 -0.007 0.000 1.820 215 W HN 0.279 nan 8.180 nan 0.000 0.403 216 V N 1.147 121.122 119.914 0.102 0.000 3.264 216 V HA 0.423 4.543 4.120 -0.001 0.000 0.304 216 V C 0.436 176.508 176.094 -0.036 0.000 1.086 216 V CA -0.487 61.814 62.300 0.001 0.000 1.090 216 V CB 0.768 32.613 31.823 0.037 0.000 1.112 216 V HN 0.414 nan 8.190 nan 0.000 0.472 217 D N 0.776 121.143 120.400 -0.054 0.000 3.038 217 D HA -0.132 4.508 4.640 -0.001 0.000 0.229 217 D C 0.354 176.609 176.300 -0.075 0.000 1.182 217 D CA 1.421 55.393 54.000 -0.047 0.000 0.852 217 D CB -0.981 39.826 40.800 0.011 0.000 0.932 217 D HN 1.213 nan 8.370 nan 0.000 0.406 218 T N -1.734 112.708 114.554 -0.186 0.000 2.918 218 T HA 0.478 4.827 4.350 -0.001 0.000 0.286 218 T C 0.117 174.739 174.700 -0.130 0.000 1.026 218 T CA -0.959 61.012 62.100 -0.216 0.000 1.031 218 T CB 2.997 71.542 68.868 -0.538 0.000 1.046 218 T HN 0.134 nan 8.240 nan 0.000 0.479 219 Q N 0.866 120.685 119.800 0.031 0.000 2.259 219 Q HA 0.523 4.862 4.340 -0.001 0.000 0.249 219 Q C -1.411 174.608 176.000 0.031 0.000 0.914 219 Q CA -0.564 55.302 55.803 0.104 0.000 0.904 219 Q CB 1.535 30.470 28.738 0.327 0.000 1.213 219 Q HN 0.604 nan 8.270 nan 0.000 0.428 220 V N 3.812 123.730 119.914 0.007 0.000 2.540 220 V HA 0.429 4.548 4.120 -0.001 0.000 0.302 220 V C -0.692 175.449 176.094 0.079 0.000 1.035 220 V CA -0.604 61.671 62.300 -0.042 0.000 0.873 220 V CB 2.152 33.885 31.823 -0.151 0.000 0.992 220 V HN 0.557 nan 8.190 nan 0.000 0.428 221 V N 6.122 126.099 119.914 0.106 0.000 2.540 221 V HA 0.528 4.647 4.120 -0.001 0.000 0.302 221 V C -0.312 175.882 176.094 0.167 0.000 1.035 221 V CA -0.698 61.719 62.300 0.195 0.000 0.873 221 V CB 1.820 33.824 31.823 0.302 0.000 0.992 221 V HN 0.614 nan 8.190 nan 0.000 0.428 222 L N 3.648 124.980 121.223 0.181 0.000 2.312 222 L HA 0.782 5.122 4.340 -0.001 0.000 0.281 222 L C 0.434 177.440 176.870 0.226 0.000 1.070 222 L CA -0.463 54.460 54.840 0.139 0.000 0.805 222 L CB 1.549 43.675 42.059 0.111 0.000 1.174 222 L HN 0.781 nan 8.230 nan 0.000 0.434 223 A N 5.108 127.971 122.820 0.072 0.000 2.277 223 A HA 0.649 4.968 4.320 -0.001 0.000 0.318 223 A C -0.368 177.358 177.584 0.236 0.000 1.339 223 A CA -0.564 51.493 52.037 0.033 0.000 0.875 223 A CB 0.779 19.328 19.000 -0.753 0.000 1.158 223 A HN 0.743 nan 8.150 nan 0.000 0.514 224 M N 4.185 124.001 119.600 0.360 0.000 2.300 224 M HA 0.746 5.225 4.480 -0.001 0.000 0.348 224 M C -2.854 173.687 176.300 0.401 0.000 1.151 224 M CA -1.625 53.874 55.300 0.331 0.000 1.046 224 M CB 2.015 34.727 32.600 0.187 0.000 1.647 224 M HN 0.281 nan 8.290 nan 0.000 0.451 225 P HA 0.389 nan 4.420 nan 0.000 0.285 225 P C -1.884 175.395 177.300 -0.035 0.000 1.269 225 P CA -0.238 62.924 63.100 0.103 0.000 0.844 225 P CB 0.936 32.499 31.700 -0.229 0.000 1.094 226 Y N -0.522 119.763 120.300 -0.025 0.000 2.442 226 Y HA 0.396 4.945 4.550 -0.001 0.000 0.344 226 Y C 0.109 176.020 175.900 0.018 0.000 0.976 226 Y CA -0.315 57.803 58.100 0.031 0.000 1.040 226 Y CB 1.656 40.148 38.460 0.054 0.000 1.228 226 Y HN 0.197 nan 8.280 nan 0.000 0.451 227 D N 1.114 121.655 120.400 0.235 0.000 2.192 227 D HA 0.522 5.161 4.640 -0.001 0.000 0.246 227 D C -0.887 175.550 176.300 0.229 0.000 1.042 227 D CA -0.301 53.845 54.000 0.244 0.000 0.847 227 D CB 1.932 42.950 40.800 0.364 0.000 1.186 227 D HN 0.400 nan 8.370 nan 0.000 0.461 228 T N 3.201 117.800 114.554 0.074 0.000 2.840 228 T HA 0.457 4.807 4.350 -0.001 0.000 0.287 228 T C -2.620 171.893 174.700 -0.311 0.000 0.991 228 T CA -1.353 60.714 62.100 -0.056 0.000 0.964 228 T CB 2.163 71.030 68.868 -0.002 0.000 0.954 228 T HN 0.170 nan 8.240 nan 0.000 0.438 229 P HA 0.341 nan 4.420 nan 0.000 0.279 229 P C -0.754 176.285 177.300 -0.436 0.000 1.239 229 P CA -0.531 62.036 63.100 -0.890 0.000 0.789 229 P CB 1.031 31.905 31.700 -1.377 0.000 0.933 230 V N 1.095 120.788 119.914 -0.368 0.000 2.326 230 V HA 0.483 4.603 4.120 -0.001 0.000 0.281 230 V C -2.352 173.620 176.094 -0.203 0.000 1.015 230 V CA -2.786 59.370 62.300 -0.240 0.000 0.823 230 V CB 1.337 33.043 31.823 -0.194 0.000 1.009 230 V HN 0.429 nan 8.190 nan 0.000 0.436 231 P HA 0.434 nan 4.420 nan 0.000 0.279 231 P C 0.244 177.496 177.300 -0.081 0.000 1.252 231 P CA 0.268 63.296 63.100 -0.119 0.000 0.811 231 P CB 1.878 33.512 31.700 -0.110 0.000 1.035 232 G N 0.389 109.157 108.800 -0.053 0.000 2.462 232 G HA2 0.301 4.261 3.960 -0.001 0.000 0.319 232 G HA3 0.301 4.261 3.960 -0.001 0.000 0.319 232 G C -1.284 173.614 174.900 -0.004 0.000 1.171 232 G CA -0.600 44.493 45.100 -0.013 0.000 0.920 232 G HN 0.429 nan 8.290 nan 0.000 0.499 233 Y N 0.541 120.807 120.300 -0.057 0.000 2.721 233 Y HA 0.098 4.648 4.550 -0.001 0.000 0.329 233 Y C 1.533 177.402 175.900 -0.053 0.000 1.211 233 Y CA 0.141 58.205 58.100 -0.061 0.000 1.512 233 Y CB 0.384 38.803 38.460 -0.068 0.000 1.249 233 Y HN 0.635 nan 8.280 nan 0.000 0.549 234 R N 3.011 123.143 120.500 -0.613 0.000 2.190 234 R HA -0.301 4.039 4.340 -0.001 0.000 0.198 234 R C -0.032 176.190 176.300 -0.129 0.000 0.652 234 R CA 1.431 57.313 56.100 -0.363 0.000 0.432 234 R CB -1.607 28.415 30.300 -0.463 0.000 1.386 234 R HN 0.825 nan 8.270 nan 0.000 0.545 235 N N -2.036 116.615 118.700 -0.081 0.000 2.143 235 N HA 0.086 4.825 4.740 -0.001 0.000 0.222 235 N C -0.054 175.421 175.510 -0.058 0.000 1.264 235 N CA -0.375 52.647 53.050 -0.046 0.000 0.897 235 N CB 0.615 39.094 38.487 -0.013 0.000 1.092 235 N HN 0.083 nan 8.380 nan 0.000 0.516 236 N N -0.679 117.983 118.700 -0.063 0.000 2.900 236 N HA -0.159 4.581 4.740 -0.001 0.000 0.240 236 N C -0.151 175.331 175.510 -0.047 0.000 0.953 236 N CA 1.259 54.277 53.050 -0.052 0.000 0.950 236 N CB -1.586 36.868 38.487 -0.055 0.000 1.102 236 N HN 0.477 nan 8.380 nan 0.000 0.593 237 V N -1.371 118.516 119.914 -0.045 0.000 2.686 237 V HA 0.616 4.735 4.120 -0.001 0.000 0.295 237 V C 0.732 176.826 176.094 0.000 0.000 1.055 237 V CA -0.426 61.864 62.300 -0.016 0.000 1.050 237 V CB 1.878 33.718 31.823 0.029 0.000 0.984 237 V HN -0.047 nan 8.190 nan 0.000 0.482 238 V N 4.380 124.314 119.914 0.033 0.000 2.656 238 V HA 0.612 4.731 4.120 -0.001 0.000 0.307 238 V C -0.294 175.786 176.094 -0.023 0.000 1.051 238 V CA -0.573 61.703 62.300 -0.041 0.000 0.893 238 V CB 1.874 33.688 31.823 -0.015 0.000 0.999 238 V HN 1.059 nan 8.190 nan 0.000 0.426 239 N N 0.921 119.527 118.700 -0.158 0.000 2.545 239 N HA 0.648 5.387 4.740 -0.001 0.000 0.289 239 N C -0.604 174.776 175.510 -0.217 0.000 1.279 239 N CA -0.481 52.485 53.050 -0.140 0.000 0.824 239 N CB 2.131 40.510 38.487 -0.182 0.000 1.395 239 N HN 0.659 nan 8.380 nan 0.000 0.526 240 T N 0.615 115.067 114.554 -0.169 0.000 2.867 240 T HA 0.420 4.769 4.350 -0.001 0.000 0.282 240 T C 0.044 174.617 174.700 -0.212 0.000 1.000 240 T CA -0.471 61.582 62.100 -0.078 0.000 1.042 240 T CB 0.934 69.898 68.868 0.161 0.000 0.973 240 T HN 0.177 nan 8.240 nan 0.000 0.465 241 M N 3.169 122.648 119.600 -0.202 0.000 2.072 241 M HA 0.421 4.900 4.480 -0.001 0.000 0.331 241 M C -0.577 175.583 176.300 -0.232 0.000 1.004 241 M CA -0.644 54.489 55.300 -0.279 0.000 0.952 241 M CB 0.931 33.379 32.600 -0.253 0.000 1.511 241 M HN 0.561 nan 8.290 nan 0.000 0.422 242 R N 4.019 124.297 120.500 -0.370 0.000 2.437 242 R HA 0.711 5.051 4.340 -0.001 0.000 0.310 242 R C -2.064 174.020 176.300 -0.360 0.000 0.955 242 R CA -0.419 55.456 56.100 -0.375 0.000 0.851 242 R CB 1.159 31.105 30.300 -0.591 0.000 1.161 242 R HN 0.570 nan 8.270 nan 0.000 0.446 243 L N 4.333 125.410 121.223 -0.244 0.000 2.354 243 L HA 0.586 4.926 4.340 -0.001 0.000 0.269 243 L C -1.235 175.589 176.870 -0.077 0.000 1.005 243 L CA -0.307 54.473 54.840 -0.100 0.000 0.819 243 L CB 1.654 43.754 42.059 0.068 0.000 1.311 243 L HN 0.631 nan 8.230 nan 0.000 0.423 244 W N 1.177 122.611 121.300 0.223 0.000 2.478 244 W HA 0.682 5.341 4.660 -0.001 0.000 0.318 244 W C -0.118 176.583 176.519 0.303 0.000 1.062 244 W CA -0.619 56.853 57.345 0.212 0.000 1.210 244 W CB 1.878 31.342 29.460 0.006 0.000 1.325 244 W HN 0.498 nan 8.180 nan 0.000 0.496 245 S N 1.690 117.745 115.700 0.591 0.000 2.503 245 S HA 0.864 5.333 4.470 -0.001 0.000 0.301 245 S C -0.390 174.552 174.600 0.569 0.000 1.087 245 S CA -1.066 57.417 58.200 0.470 0.000 1.042 245 S CB 1.660 65.059 63.200 0.332 0.000 1.043 245 S HN 0.646 nan 8.310 nan 0.000 0.489 246 A N 2.510 125.631 122.820 0.501 0.000 2.363 246 A HA 0.680 5.000 4.320 -0.001 0.000 0.270 246 A C -0.068 177.679 177.584 0.272 0.000 1.121 246 A CA -0.558 51.744 52.037 0.441 0.000 0.800 246 A CB 0.217 19.258 19.000 0.068 0.000 1.052 246 A HN 0.826 nan 8.150 nan 0.000 0.493 247 K N 0.763 121.322 120.400 0.267 0.000 2.427 247 K HA 0.619 4.939 4.320 -0.001 0.000 0.252 247 K C -0.542 176.177 176.600 0.199 0.000 0.931 247 K CA -0.277 56.133 56.287 0.205 0.000 0.793 247 K CB 2.284 34.894 32.500 0.183 0.000 1.211 247 K HN 0.853 nan 8.250 nan 0.000 0.426 248 A N 3.539 126.490 122.820 0.217 0.000 2.309 248 A HA 0.508 4.828 4.320 -0.001 0.000 0.298 248 A C -2.377 175.300 177.584 0.154 0.000 1.165 248 A CA -1.673 50.523 52.037 0.266 0.000 0.821 248 A CB -0.089 19.193 19.000 0.469 0.000 1.102 248 A HN 0.448 nan 8.150 nan 0.000 0.500 249 P HA 0.001 nan 4.420 nan 0.000 0.256 249 P C -0.626 176.317 177.300 -0.594 0.000 1.173 249 P CA 0.591 63.566 63.100 -0.209 0.000 0.768 249 P CB -0.006 31.578 31.700 -0.193 0.000 0.758 250 N N 2.528 120.988 118.700 -0.400 0.000 2.955 250 N HA 0.153 4.893 4.740 -0.001 0.000 0.242 250 N C -0.287 174.980 175.510 -0.404 0.000 1.123 250 N CA -0.166 52.586 53.050 -0.496 0.000 0.949 250 N CB 0.106 38.571 38.487 -0.036 0.000 1.214 250 N HN 0.242 nan 8.380 nan 0.000 0.504 251 D N 0.566 120.550 120.400 -0.693 0.000 2.489 251 D HA 0.087 4.727 4.640 -0.001 0.000 0.231 251 D C 0.697 176.834 176.300 -0.271 0.000 1.114 251 D CA -0.076 53.695 54.000 -0.382 0.000 0.842 251 D CB 0.297 40.897 40.800 -0.333 0.000 1.133 251 D HN 0.317 nan 8.370 nan 0.000 0.506 252 F N 1.947 121.876 119.950 -0.036 0.000 2.146 252 F HA -0.313 4.213 4.527 -0.001 0.000 0.298 252 F C 1.833 177.592 175.800 -0.068 0.000 1.053 252 F CA 1.558 59.533 58.000 -0.041 0.000 1.285 252 F CB -1.424 37.564 39.000 -0.020 0.000 1.039 252 F HN 0.164 nan 8.300 nan 0.000 0.497 253 N N -0.721 118.014 118.700 0.059 0.000 2.467 253 N HA 0.001 4.740 4.740 -0.001 0.000 0.184 253 N C 1.124 176.557 175.510 -0.128 0.000 1.106 253 N CA 0.801 53.840 53.050 -0.018 0.000 0.892 253 N CB 0.000 38.477 38.487 -0.018 0.000 0.969 253 N HN 0.448 nan 8.380 nan 0.000 0.454 254 L N -1.691 119.408 121.223 -0.206 0.000 3.927 254 L HA 0.239 4.579 4.340 -0.001 0.000 0.374 254 L C -0.221 176.349 176.870 -0.499 0.000 1.168 254 L CA -0.279 54.286 54.840 -0.458 0.000 1.318 254 L CB 0.423 42.146 42.059 -0.561 0.000 1.640 254 L HN 0.037 nan 8.230 nan 0.000 0.634 255 K N 1.954 122.214 120.400 -0.235 0.000 2.379 255 K HA -0.012 4.308 4.320 -0.001 0.000 0.284 255 K C 0.359 176.941 176.600 -0.030 0.000 1.044 255 K CA 0.684 56.896 56.287 -0.124 0.000 0.974 255 K CB 0.572 33.005 32.500 -0.112 0.000 0.962 255 K HN 0.162 nan 8.250 nan 0.000 0.474 256 D N 3.249 123.710 120.400 0.100 0.000 2.748 256 D HA -0.229 4.411 4.640 -0.001 0.000 0.189 256 D C -0.868 175.624 176.300 0.319 0.000 0.982 256 D CA 0.466 54.574 54.000 0.180 0.000 1.017 256 D CB -0.725 40.123 40.800 0.080 0.000 1.076 256 D HN 0.607 nan 8.370 nan 0.000 0.446 257 F N -0.173 119.781 119.950 0.008 0.000 2.457 257 F HA -0.235 4.291 4.527 -0.001 0.000 0.290 257 F C 1.124 176.937 175.800 0.022 0.000 1.058 257 F CA 1.365 59.373 58.000 0.014 0.000 1.051 257 F CB -1.848 37.157 39.000 0.008 0.000 1.331 257 F HN 0.272 nan 8.300 nan 0.000 0.814 258 N N -0.963 117.803 118.700 0.110 0.000 2.325 258 N HA 0.275 5.015 4.740 -0.001 0.000 0.220 258 N C 0.257 175.811 175.510 0.073 0.000 1.176 258 N CA 0.735 53.839 53.050 0.091 0.000 0.861 258 N CB 0.036 38.569 38.487 0.076 0.000 1.230 258 N HN 0.286 nan 8.380 nan 0.000 0.479 259 V N -3.482 116.445 119.914 0.021 0.000 3.503 259 V HA 0.894 5.013 4.120 -0.001 0.000 0.294 259 V C 1.669 177.746 176.094 -0.027 0.000 1.102 259 V CA -0.201 62.099 62.300 0.000 0.000 0.979 259 V CB 0.348 32.160 31.823 -0.018 0.000 1.240 259 V HN 0.406 nan 8.190 nan 0.000 0.444 260 G N -0.341 108.424 108.800 -0.058 0.000 4.526 260 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.217 260 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.217 260 G C 1.106 175.941 174.900 -0.109 0.000 1.428 260 G CA 0.735 45.794 45.100 -0.069 0.000 0.928 260 G HN 1.652 nan 8.290 nan 0.000 0.639 261 G N -0.332 108.434 108.800 -0.057 0.000 2.575 261 G HA2 0.279 4.238 3.960 -0.001 0.000 0.215 261 G HA3 0.279 4.238 3.960 -0.001 0.000 0.215 261 G C 0.466 175.277 174.900 -0.149 0.000 1.262 261 G CA 1.635 46.706 45.100 -0.048 0.000 0.807 261 G HN 0.841 nan 8.290 nan 0.000 0.567 262 Y N -0.792 119.511 120.300 0.005 0.000 2.470 262 Y HA 0.495 5.045 4.550 -0.001 0.000 0.341 262 Y C -0.424 175.474 175.900 -0.004 0.000 1.021 262 Y CA -1.169 56.930 58.100 -0.001 0.000 1.025 262 Y CB 1.942 40.401 38.460 -0.002 0.000 1.266 262 Y HN 0.174 nan 8.280 nan 0.000 0.448 263 I N 2.944 123.659 120.570 0.241 0.000 2.377 263 I HA 0.367 4.537 4.170 -0.001 0.000 0.282 263 I C -0.068 176.150 176.117 0.168 0.000 1.091 263 I CA -0.485 60.899 61.300 0.141 0.000 1.207 263 I CB 1.107 39.126 38.000 0.031 0.000 1.429 263 I HN 0.550 nan 8.210 nan 0.000 0.491 264 Q N 3.831 123.698 119.800 0.111 0.000 2.200 264 Q HA 0.183 4.522 4.340 -0.001 0.000 0.197 264 Q C 2.296 178.292 176.000 -0.005 0.000 0.953 264 Q CA 1.311 57.132 55.803 0.030 0.000 0.851 264 Q CB -0.185 28.547 28.738 -0.012 0.000 0.938 264 Q HN 0.806 nan 8.270 nan 0.000 0.488 265 A N 0.569 123.388 122.820 -0.002 0.000 2.310 265 A HA -0.156 4.163 4.320 -0.001 0.000 0.216 265 A C 1.958 179.423 177.584 -0.197 0.000 1.197 265 A CA 1.009 53.017 52.037 -0.048 0.000 0.690 265 A CB -0.854 18.169 19.000 0.038 0.000 0.779 265 A HN 0.210 nan 8.150 nan 0.000 0.496 266 V N -0.886 118.934 119.914 -0.157 0.000 2.626 266 V HA -0.211 3.909 4.120 -0.001 0.000 0.252 266 V C 2.281 178.266 176.094 -0.181 0.000 1.067 266 V CA 1.972 64.148 62.300 -0.207 0.000 1.081 266 V CB -0.440 31.319 31.823 -0.106 0.000 0.686 266 V HN 0.665 nan 8.190 nan 0.000 0.468 267 L N -0.251 120.904 121.223 -0.113 0.000 2.395 267 L HA -0.048 4.291 4.340 -0.001 0.000 0.218 267 L C 2.232 179.063 176.870 -0.066 0.000 1.130 267 L CA 1.229 56.023 54.840 -0.076 0.000 0.826 267 L CB -0.515 41.519 42.059 -0.042 0.000 0.941 267 L HN 0.329 nan 8.230 nan 0.000 0.451 268 D N 1.287 121.644 120.400 -0.072 0.000 2.077 268 D HA -0.228 4.411 4.640 -0.001 0.000 0.196 268 D C 2.249 178.558 176.300 0.015 0.000 0.986 268 D CA 1.617 55.634 54.000 0.029 0.000 0.829 268 D CB 0.033 40.915 40.800 0.136 0.000 0.983 268 D HN 0.339 nan 8.370 nan 0.000 0.453 269 R N 0.301 120.710 120.500 -0.151 0.000 2.170 269 R HA -0.129 4.211 4.340 -0.001 0.000 0.242 269 R C 1.808 178.100 176.300 -0.014 0.000 1.145 269 R CA 1.450 57.509 56.100 -0.068 0.000 0.984 269 R CB -0.383 29.704 30.300 -0.355 0.000 0.869 269 R HN 0.180 nan 8.270 nan 0.000 0.455 270 N N 1.027 119.697 118.700 -0.049 0.000 2.324 270 N HA 0.035 4.775 4.740 -0.001 0.000 0.192 270 N C 0.521 176.035 175.510 0.007 0.000 1.046 270 N CA 0.600 53.642 53.050 -0.013 0.000 0.898 270 N CB -0.057 38.412 38.487 -0.029 0.000 1.079 270 N HN 0.094 nan 8.380 nan 0.000 0.456 271 L N 1.583 122.809 121.223 0.006 0.000 2.450 271 L HA 0.123 4.463 4.340 -0.001 0.000 0.256 271 L C 0.853 177.741 176.870 0.030 0.000 1.374 271 L CA 0.052 54.898 54.840 0.010 0.000 1.210 271 L CB -0.193 41.873 42.059 0.012 0.000 1.394 271 L HN 0.224 nan 8.230 nan 0.000 0.438 272 A N 0.036 122.871 122.820 0.024 0.000 3.088 272 A HA -0.018 4.302 4.320 -0.001 0.000 0.163 272 A C 1.593 179.189 177.584 0.020 0.000 1.387 272 A CA -0.051 52.014 52.037 0.046 0.000 1.739 272 A CB -0.422 18.651 19.000 0.122 0.000 1.635 272 A HN 0.320 nan 8.150 nan 0.000 0.721 273 E N 1.132 121.368 120.200 0.061 0.000 2.130 273 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 273 E C 1.173 177.804 176.600 0.051 0.000 0.998 273 E CA 1.589 58.033 56.400 0.072 0.000 0.806 273 E CB -0.269 29.483 29.700 0.086 0.000 0.738 273 E HN 0.751 nan 8.360 nan 0.000 0.459 274 N N 0.025 118.742 118.700 0.028 0.000 2.346 274 N HA 0.041 4.780 4.740 -0.001 0.000 0.225 274 N C 0.987 176.473 175.510 -0.040 0.000 1.144 274 N CA -0.142 52.922 53.050 0.025 0.000 0.837 274 N CB 0.182 38.682 38.487 0.022 0.000 1.069 274 N HN 0.143 nan 8.380 nan 0.000 0.487 275 I N 0.201 120.709 120.570 -0.104 0.000 3.251 275 I HA -0.074 4.095 4.170 -0.001 0.000 0.277 275 I C 1.115 177.148 176.117 -0.140 0.000 1.268 275 I CA 0.428 61.607 61.300 -0.202 0.000 1.449 275 I CB 0.101 37.817 38.000 -0.474 0.000 1.083 275 I HN 0.327 nan 8.210 nan 0.000 0.464 276 S N -0.892 114.786 115.700 -0.036 0.000 2.733 276 S HA 0.284 4.753 4.470 -0.001 0.000 0.247 276 S C 1.521 176.257 174.600 0.227 0.000 1.043 276 S CA -0.685 57.533 58.200 0.030 0.000 1.066 276 S CB 0.222 63.437 63.200 0.025 0.000 1.045 276 S HN 0.255 nan 8.310 nan 0.000 0.586 277 R N 1.037 121.702 120.500 0.274 0.000 2.052 277 R HA 0.199 4.539 4.340 -0.001 0.000 0.226 277 R C 0.809 177.452 176.300 0.572 0.000 1.145 277 R CA 1.205 57.594 56.100 0.482 0.000 0.952 277 R CB -0.387 30.209 30.300 0.494 0.000 0.847 277 R HN 0.383 nan 8.270 nan 0.000 0.431 278 V N 2.378 122.492 119.914 0.333 0.000 2.407 278 V HA 0.264 4.383 4.120 -0.001 0.000 0.278 278 V C 0.037 176.132 176.094 0.002 0.000 1.037 278 V CA -0.488 61.906 62.300 0.157 0.000 0.900 278 V CB 0.988 32.794 31.823 -0.028 0.000 0.983 278 V HN 0.122 nan 8.190 nan 0.000 0.459 279 L N 5.610 126.657 121.223 -0.294 0.000 2.476 279 L HA 0.284 4.624 4.340 -0.001 0.000 0.255 279 L C -0.053 176.839 176.870 0.037 0.000 1.218 279 L CA 0.016 54.488 54.840 -0.614 0.000 0.819 279 L CB 0.540 42.212 42.059 -0.645 0.000 1.119 279 L HN 0.821 nan 8.230 nan 0.000 0.485 280 Y N -0.136 120.115 120.300 -0.082 0.000 2.825 280 Y HA 0.251 4.800 4.550 -0.001 0.000 0.259 280 Y C -1.889 173.997 175.900 -0.023 0.000 1.113 280 Y CA -2.294 55.799 58.100 -0.011 0.000 1.241 280 Y CB -0.607 37.875 38.460 0.036 0.000 1.331 280 Y HN 0.364 nan 8.280 nan 0.000 0.570 281 P HA -0.216 nan 4.420 nan 0.000 0.261 281 P C 0.699 177.990 177.300 -0.014 0.000 1.101 281 P CA 1.753 64.858 63.100 0.008 0.000 0.751 281 P CB 0.101 31.801 31.700 -0.000 0.000 0.683 282 N N 3.070 121.783 118.700 0.021 0.000 2.355 282 N HA -0.186 4.553 4.740 -0.001 0.000 0.225 282 N C 0.677 176.161 175.510 -0.043 0.000 1.231 282 N CA 1.115 54.189 53.050 0.040 0.000 0.786 282 N CB -0.931 37.643 38.487 0.145 0.000 0.850 282 N HN 0.589 nan 8.380 nan 0.000 0.360 283 D N 0.681 121.058 120.400 -0.038 0.000 3.634 283 D HA -0.098 4.542 4.640 -0.001 0.000 0.193 283 D C 0.329 176.540 176.300 -0.148 0.000 1.217 283 D CA 1.755 55.702 54.000 -0.089 0.000 0.617 283 D CB -1.025 39.734 40.800 -0.068 0.000 1.035 283 D HN 0.674 nan 8.370 nan 0.000 0.445 284 N N -1.986 116.604 118.700 -0.183 0.000 3.199 284 N HA 0.345 5.085 4.740 -0.001 0.000 0.347 284 N C -0.850 174.500 175.510 -0.267 0.000 1.298 284 N CA -0.366 52.518 53.050 -0.276 0.000 0.837 284 N CB -0.449 37.868 38.487 -0.283 0.000 1.934 284 N HN 0.155 nan 8.380 nan 0.000 0.373 285 F N -0.878 118.884 119.950 -0.313 0.000 2.183 285 F HA 0.110 4.636 4.527 -0.001 0.000 0.318 285 F C -2.051 173.571 175.800 -0.296 0.000 0.972 285 F CA -0.411 57.404 58.000 -0.308 0.000 0.912 285 F CB -0.910 37.925 39.000 -0.275 0.000 4.135 285 F HN 0.405 nan 8.300 nan 0.000 0.137 286 F N 3.473 123.288 119.950 -0.224 0.000 2.443 286 F HA 0.580 5.107 4.527 -0.001 0.000 0.369 286 F C 0.219 175.961 175.800 -0.096 0.000 1.090 286 F CA -0.285 57.632 58.000 -0.137 0.000 1.129 286 F CB 0.965 39.898 39.000 -0.111 0.000 1.367 286 F HN 1.331 nan 8.300 nan 0.000 0.465 287 E N 0.823 121.248 120.200 0.375 0.000 7.598 287 E HA -0.132 4.218 4.350 -0.001 0.000 0.448 287 E C -0.153 176.513 176.600 0.109 0.000 0.412 287 E CA 0.160 56.683 56.400 0.206 0.000 0.756 287 E CB -1.165 28.643 29.700 0.181 0.000 0.964 287 E HN 0.867 nan 8.360 nan 0.000 0.262 288 G N 3.776 112.613 108.800 0.061 0.000 2.577 288 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.290 288 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.290 288 G C 0.186 175.258 174.900 0.287 0.000 0.703 288 G CA 0.330 45.464 45.100 0.056 0.000 2.032 288 G HN 0.440 nan 8.290 nan 0.000 0.508 289 K N 1.076 121.647 120.400 0.285 0.000 2.326 289 K HA 0.040 4.360 4.320 -0.001 0.000 0.275 289 K C 1.213 177.985 176.600 0.287 0.000 1.018 289 K CA -0.376 56.078 56.287 0.279 0.000 0.962 289 K CB 0.706 33.386 32.500 0.300 0.000 0.953 289 K HN 0.530 nan 8.250 nan 0.000 0.475 290 E N 3.267 123.552 120.200 0.142 0.000 2.333 290 E HA -0.175 4.175 4.350 -0.001 0.000 0.198 290 E C 1.479 178.038 176.600 -0.068 0.000 1.007 290 E CA 0.614 56.999 56.400 -0.024 0.000 0.845 290 E CB 0.257 29.944 29.700 -0.022 0.000 0.766 290 E HN 0.494 nan 8.360 nan 0.000 0.507 291 L N 1.002 122.250 121.223 0.041 0.000 2.072 291 L HA -0.095 4.244 4.340 -0.001 0.000 0.205 291 L C 2.457 179.343 176.870 0.027 0.000 1.079 291 L CA 1.557 56.396 54.840 -0.003 0.000 0.752 291 L CB -0.381 41.689 42.059 0.018 0.000 0.906 291 L HN -0.037 nan 8.230 nan 0.000 0.436 292 R N -1.187 119.428 120.500 0.191 0.000 2.073 292 R HA -0.160 4.180 4.340 -0.001 0.000 0.234 292 R C 2.167 178.542 176.300 0.125 0.000 1.134 292 R CA 1.598 57.846 56.100 0.246 0.000 0.952 292 R CB -0.526 30.035 30.300 0.434 0.000 0.850 292 R HN 0.288 nan 8.270 nan 0.000 0.433 293 L N 1.539 122.694 121.223 -0.112 0.000 2.131 293 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 293 L C 1.567 178.304 176.870 -0.222 0.000 1.092 293 L CA 1.832 56.407 54.840 -0.440 0.000 0.759 293 L CB -0.225 41.193 42.059 -1.068 0.000 0.903 293 L HN -0.018 nan 8.230 nan 0.000 0.435 294 K N -1.226 119.028 120.400 -0.243 0.000 2.288 294 K HA -0.099 4.220 4.320 -0.001 0.000 0.201 294 K C 1.997 178.652 176.600 0.092 0.000 1.048 294 K CA 1.088 57.226 56.287 -0.248 0.000 0.956 294 K CB 0.026 32.235 32.500 -0.484 0.000 0.746 294 K HN 0.530 nan 8.250 nan 0.000 0.461 295 Q N -0.069 119.782 119.800 0.085 0.000 2.204 295 Q HA -0.075 4.265 4.340 -0.001 0.000 0.198 295 Q C 1.494 177.642 176.000 0.247 0.000 0.946 295 Q CA 0.911 56.801 55.803 0.145 0.000 0.859 295 Q CB 0.282 29.096 28.738 0.126 0.000 0.946 295 Q HN 0.378 nan 8.270 nan 0.000 0.474 296 E N 0.194 120.517 120.200 0.205 0.000 2.051 296 E HA -0.158 4.192 4.350 -0.001 0.000 0.189 296 E C 1.571 178.292 176.600 0.202 0.000 0.979 296 E CA 0.769 57.290 56.400 0.202 0.000 0.803 296 E CB -0.111 29.712 29.700 0.205 0.000 0.761 296 E HN 0.289 nan 8.360 nan 0.000 0.451 297 Y N 0.523 120.892 120.300 0.114 0.000 2.509 297 Y HA -0.127 4.422 4.550 -0.001 0.000 0.293 297 Y C 1.742 177.728 175.900 0.143 0.000 1.133 297 Y CA 0.522 58.666 58.100 0.074 0.000 1.283 297 Y CB -0.072 38.403 38.460 0.025 0.000 1.001 297 Y HN 0.010 nan 8.280 nan 0.000 0.555 298 F N -0.302 119.649 119.950 0.002 0.000 2.051 298 F HA -0.205 4.322 4.527 -0.001 0.000 0.296 298 F C 2.496 178.115 175.800 -0.302 0.000 1.122 298 F CA 1.988 59.887 58.000 -0.168 0.000 1.201 298 F CB -1.057 37.982 39.000 0.065 0.000 0.978 298 F HN -0.073 nan 8.300 nan 0.000 0.472 299 V N -0.256 119.701 119.914 0.071 0.000 2.380 299 V HA -0.270 3.850 4.120 -0.001 0.000 0.251 299 V C 2.138 178.093 176.094 -0.231 0.000 1.063 299 V CA 2.258 64.545 62.300 -0.020 0.000 1.055 299 V CB -0.554 31.396 31.823 0.212 0.000 0.657 299 V HN 0.309 nan 8.190 nan 0.000 0.455 300 V N -0.180 119.589 119.914 -0.243 0.000 2.407 300 V HA -0.049 4.071 4.120 -0.001 0.000 0.245 300 V C 2.710 178.531 176.094 -0.455 0.000 1.041 300 V CA 1.853 63.990 62.300 -0.272 0.000 1.040 300 V CB -0.505 31.229 31.823 -0.150 0.000 0.671 300 V HN 0.662 nan 8.190 nan 0.000 0.455 301 A N -0.325 122.078 122.820 -0.695 0.000 1.930 301 A HA -0.023 4.296 4.320 -0.001 0.000 0.217 301 A C 2.344 179.545 177.584 -0.638 0.000 1.175 301 A CA 1.894 53.528 52.037 -0.672 0.000 0.627 301 A CB -0.617 17.887 19.000 -0.828 0.000 0.815 301 A HN 0.546 nan 8.150 nan 0.000 0.443 302 A N -0.919 121.338 122.820 -0.938 0.000 1.854 302 A HA -0.031 4.289 4.320 -0.001 0.000 0.214 302 A C 2.267 179.372 177.584 -0.799 0.000 1.192 302 A CA 2.129 53.477 52.037 -1.148 0.000 0.611 302 A CB -1.383 16.258 19.000 -2.264 0.000 0.832 302 A HN 0.393 nan 8.150 nan 0.000 0.442 303 T N 0.062 114.241 114.554 -0.625 0.000 2.721 303 T HA -0.187 4.163 4.350 -0.001 0.000 0.268 303 T C 1.648 176.064 174.700 -0.473 0.000 1.038 303 T CA 1.818 63.659 62.100 -0.432 0.000 1.145 303 T CB -0.277 68.353 68.868 -0.396 0.000 0.858 303 T HN 0.227 nan 8.240 nan 0.000 0.459 304 L N 0.101 121.105 121.223 -0.365 0.000 2.446 304 L HA 0.164 4.503 4.340 -0.001 0.000 0.219 304 L C 2.418 179.169 176.870 -0.198 0.000 1.116 304 L CA 1.073 55.755 54.840 -0.264 0.000 0.844 304 L CB -0.256 41.683 42.059 -0.200 0.000 0.970 304 L HN 0.211 nan 8.230 nan 0.000 0.457 305 Q N -1.080 118.588 119.800 -0.220 0.000 2.096 305 Q HA -0.184 4.156 4.340 -0.001 0.000 0.197 305 Q C 1.546 177.497 176.000 -0.082 0.000 0.964 305 Q CA 1.467 57.190 55.803 -0.134 0.000 0.838 305 Q CB -0.009 28.632 28.738 -0.162 0.000 0.906 305 Q HN 0.365 nan 8.270 nan 0.000 0.444 306 D N 0.784 121.124 120.400 -0.100 0.000 2.117 306 D HA -0.119 4.521 4.640 -0.001 0.000 0.197 306 D C 1.689 177.898 176.300 -0.150 0.000 0.987 306 D CA 0.909 54.883 54.000 -0.042 0.000 0.829 306 D CB -0.040 40.848 40.800 0.146 0.000 0.961 306 D HN 0.147 nan 8.370 nan 0.000 0.460 307 I N 0.306 120.683 120.570 -0.323 0.000 2.127 307 I HA -0.280 3.890 4.170 -0.001 0.000 0.241 307 I C 2.267 178.348 176.117 -0.060 0.000 1.075 307 I CA 1.024 62.091 61.300 -0.389 0.000 1.334 307 I CB -0.244 37.409 38.000 -0.579 0.000 1.040 307 I HN 0.072 nan 8.210 nan 0.000 0.405 308 I N 0.159 120.783 120.570 0.090 0.000 2.546 308 I HA -0.219 3.951 4.170 -0.001 0.000 0.255 308 I C 2.672 178.921 176.117 0.220 0.000 1.163 308 I CA 0.719 62.207 61.300 0.313 0.000 1.457 308 I CB -0.524 37.678 38.000 0.336 0.000 1.092 308 I HN 0.231 nan 8.210 nan 0.000 0.434 309 R N 1.841 122.399 120.500 0.098 0.000 2.080 309 R HA -0.226 4.114 4.340 -0.001 0.000 0.236 309 R C 2.490 178.826 176.300 0.059 0.000 1.137 309 R CA 1.903 58.044 56.100 0.069 0.000 0.943 309 R CB -0.332 29.987 30.300 0.032 0.000 0.846 309 R HN 0.192 nan 8.270 nan 0.000 0.431 310 R N -0.761 119.756 120.500 0.029 0.000 2.092 310 R HA -0.141 4.198 4.340 -0.001 0.000 0.231 310 R C 2.174 178.506 176.300 0.053 0.000 1.119 310 R CA 1.485 57.598 56.100 0.022 0.000 0.970 310 R CB -0.401 29.880 30.300 -0.032 0.000 0.864 310 R HN 0.315 nan 8.270 nan 0.000 0.440 311 F N 1.776 121.654 119.950 -0.120 0.000 2.069 311 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 311 F C 1.700 177.395 175.800 -0.175 0.000 1.113 311 F CA 1.771 59.623 58.000 -0.246 0.000 1.214 311 F CB -0.196 38.659 39.000 -0.242 0.000 0.978 311 F HN -0.111 nan 8.300 nan 0.000 0.474 312 K N -0.146 120.143 120.400 -0.185 0.000 2.057 312 K HA -0.129 4.191 4.320 -0.001 0.000 0.207 312 K C 2.288 178.846 176.600 -0.070 0.000 1.049 312 K CA 1.650 57.814 56.287 -0.204 0.000 0.931 312 K CB -0.446 32.033 32.500 -0.034 0.000 0.714 312 K HN 0.198 nan 8.250 nan 0.000 0.440 313 S N 0.981 116.684 115.700 0.005 0.000 2.343 313 S HA -0.071 4.399 4.470 -0.001 0.000 0.219 313 S C 0.949 175.607 174.600 0.097 0.000 1.033 313 S CA 0.811 59.055 58.200 0.073 0.000 1.014 313 S CB -0.089 63.180 63.200 0.115 0.000 0.915 313 S HN 0.141 nan 8.310 nan 0.000 0.435 314 S N 2.175 117.909 115.700 0.058 0.000 2.670 314 S HA 0.132 4.602 4.470 -0.001 0.000 0.328 314 S C 0.253 174.766 174.600 -0.144 0.000 1.179 314 S CA -0.040 58.111 58.200 -0.081 0.000 1.194 314 S CB -0.312 62.847 63.200 -0.068 0.000 1.359 314 S HN 0.307 nan 8.310 nan 0.000 0.555 315 K N 1.490 121.775 120.400 -0.192 0.000 3.421 315 K HA -0.242 4.077 4.320 -0.001 0.000 0.268 315 K C 0.013 176.550 176.600 -0.105 0.000 0.840 315 K CA 0.516 56.718 56.287 -0.141 0.000 0.627 315 K CB -0.961 31.389 32.500 -0.250 0.000 1.561 315 K HN 0.595 nan 8.250 nan 0.000 0.458 316 F N -1.474 118.334 119.950 -0.237 0.000 2.724 316 F HA 0.169 4.695 4.527 -0.001 0.000 0.306 316 F C 2.050 177.681 175.800 -0.281 0.000 1.100 316 F CA 0.279 58.088 58.000 -0.318 0.000 1.255 316 F CB 0.569 39.243 39.000 -0.543 0.000 1.072 316 F HN 0.192 nan 8.300 nan 0.000 0.589 317 G N 0.065 108.823 108.800 -0.070 0.000 2.433 317 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.216 317 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.216 317 G C 1.702 176.517 174.900 -0.140 0.000 1.186 317 G CA 1.379 46.430 45.100 -0.081 0.000 0.779 317 G HN 0.410 nan 8.290 nan 0.000 0.543 318 C N -0.212 118.999 119.300 -0.147 0.000 2.491 318 C HA 0.098 4.558 4.460 -0.001 0.000 0.283 318 C C 2.033 176.842 174.990 -0.303 0.000 1.238 318 C CA 0.092 59.005 59.018 -0.176 0.000 1.735 318 C CB -0.823 26.829 27.740 -0.146 0.000 2.080 318 C HN 0.343 nan 8.230 nan 0.000 0.463 319 R N 1.641 121.844 120.500 -0.496 0.000 4.559 319 R HA -0.014 4.326 4.340 -0.001 0.000 0.177 319 R C 0.860 176.555 176.300 -1.009 0.000 1.875 319 R CA 0.055 55.722 56.100 -0.722 0.000 1.509 319 R CB -0.594 29.226 30.300 -0.799 0.000 1.395 319 R HN 0.557 nan 8.270 nan 0.000 0.830 320 D N 1.771 121.848 120.400 -0.537 0.000 2.116 320 D HA -0.130 4.510 4.640 -0.001 0.000 0.193 320 D C -0.795 175.342 176.300 -0.271 0.000 0.998 320 D CA 1.185 54.963 54.000 -0.370 0.000 0.836 320 D CB -0.143 40.540 40.800 -0.195 0.000 0.951 320 D HN 0.312 nan 8.370 nan 0.000 0.449 321 P HA -0.055 nan 4.420 nan 0.000 0.234 321 P C 0.286 177.554 177.300 -0.053 0.000 1.167 321 P CA 0.583 63.610 63.100 -0.122 0.000 0.763 321 P CB 0.283 31.923 31.700 -0.101 0.000 0.835 322 V N 2.077 121.980 119.914 -0.020 0.000 2.384 322 V HA 0.311 4.430 4.120 -0.001 0.000 0.257 322 V C 0.830 176.953 176.094 0.047 0.000 0.969 322 V CA -0.746 61.568 62.300 0.023 0.000 0.910 322 V CB -0.957 30.894 31.823 0.047 0.000 1.150 322 V HN 0.255 nan 8.190 nan 0.000 0.481 323 R N 3.544 124.062 120.500 0.029 0.000 3.770 323 R HA -0.189 4.150 4.340 -0.001 0.000 0.305 323 R C 0.445 176.781 176.300 0.061 0.000 1.184 323 R CA 1.520 57.652 56.100 0.052 0.000 0.823 323 R CB -3.046 27.306 30.300 0.086 0.000 1.285 323 R HN 1.912 nan 8.270 nan 0.000 0.499 324 T N -3.378 111.184 114.554 0.013 0.000 3.897 324 T HA -0.319 4.031 4.350 -0.001 0.000 0.353 324 T C 0.116 174.786 174.700 -0.049 0.000 0.758 324 T CA 1.221 63.313 62.100 -0.014 0.000 1.883 324 T CB -1.710 67.096 68.868 -0.105 0.000 1.849 324 T HN 0.756 nan 8.240 nan 0.000 0.791 325 N N 0.245 119.028 118.700 0.139 0.000 2.518 325 N HA 0.359 5.099 4.740 -0.001 0.000 0.266 325 N C 0.470 176.172 175.510 0.320 0.000 1.196 325 N CA -1.165 52.069 53.050 0.307 0.000 0.947 325 N CB 0.034 38.675 38.487 0.258 0.000 1.098 325 N HN 0.284 nan 8.380 nan 0.000 0.450 326 F N 0.894 121.000 119.950 0.260 0.000 2.772 326 F HA 0.054 4.581 4.527 -0.001 0.000 0.302 326 F C 1.637 177.537 175.800 0.167 0.000 1.225 326 F CA -0.047 58.102 58.000 0.249 0.000 1.429 326 F CB -0.295 38.709 39.000 0.007 0.000 1.104 326 F HN 0.505 nan 8.300 nan 0.000 0.550 327 D N 0.725 121.303 120.400 0.295 0.000 2.158 327 D HA -0.198 4.441 4.640 -0.001 0.000 0.197 327 D C 2.152 178.563 176.300 0.185 0.000 0.995 327 D CA 1.574 55.690 54.000 0.193 0.000 0.846 327 D CB 0.071 40.967 40.800 0.160 0.000 0.941 327 D HN 0.404 nan 8.370 nan 0.000 0.456 328 A N -0.338 122.638 122.820 0.260 0.000 2.308 328 A HA 0.079 4.399 4.320 -0.001 0.000 0.217 328 A C 1.635 179.308 177.584 0.147 0.000 1.216 328 A CA -0.350 51.836 52.037 0.248 0.000 0.864 328 A CB -0.440 18.810 19.000 0.416 0.000 0.902 328 A HN 0.099 nan 8.150 nan 0.000 0.499 329 F N 1.901 121.786 119.950 -0.108 0.000 2.095 329 F HA -0.092 4.434 4.527 -0.001 0.000 0.298 329 F C -0.743 174.890 175.800 -0.279 0.000 1.104 329 F CA 2.229 59.907 58.000 -0.536 0.000 1.232 329 F CB -0.712 38.006 39.000 -0.471 0.000 0.987 329 F HN 0.184 nan 8.300 nan 0.000 0.475 330 P HA -0.162 nan 4.420 nan 0.000 0.216 330 P C 1.023 178.296 177.300 -0.044 0.000 1.153 330 P CA 2.034 65.135 63.100 0.001 0.000 0.858 330 P CB -0.073 31.631 31.700 0.006 0.000 0.789 331 D N -0.937 119.451 120.400 -0.020 0.000 2.144 331 D HA -0.107 4.532 4.640 -0.001 0.000 0.200 331 D C 1.658 177.932 176.300 -0.045 0.000 0.978 331 D CA 1.139 55.138 54.000 -0.003 0.000 0.833 331 D CB -0.347 40.486 40.800 0.054 0.000 0.961 331 D HN 0.128 nan 8.370 nan 0.000 0.470 332 K N 0.012 120.338 120.400 -0.123 0.000 2.379 332 K HA 0.178 4.498 4.320 -0.001 0.000 0.194 332 K C 0.037 176.458 176.600 -0.299 0.000 1.031 332 K CA 0.105 56.288 56.287 -0.172 0.000 1.037 332 K CB 1.396 33.811 32.500 -0.142 0.000 0.824 332 K HN 0.042 nan 8.250 nan 0.000 0.516 333 V N 0.344 120.023 119.914 -0.392 0.000 2.876 333 V HA 0.718 4.837 4.120 -0.001 0.000 0.312 333 V C -0.875 175.117 176.094 -0.170 0.000 1.085 333 V CA -1.310 60.761 62.300 -0.382 0.000 0.945 333 V CB 1.976 33.297 31.823 -0.836 0.000 1.017 333 V HN 0.095 nan 8.190 nan 0.000 0.428 334 A N 3.771 126.523 122.820 -0.113 0.000 2.455 334 A HA 0.919 5.239 4.320 -0.001 0.000 0.300 334 A C -1.316 176.299 177.584 0.053 0.000 1.040 334 A CA -0.436 51.593 52.037 -0.013 0.000 0.697 334 A CB 1.395 20.332 19.000 -0.105 0.000 1.265 334 A HN 0.731 nan 8.150 nan 0.000 0.407 335 I N 1.279 121.939 120.570 0.150 0.000 2.436 335 I HA 0.348 4.517 4.170 -0.001 0.000 0.289 335 I C -0.503 175.726 176.117 0.187 0.000 1.010 335 I CA -0.585 60.830 61.300 0.191 0.000 1.098 335 I CB 2.261 40.356 38.000 0.158 0.000 1.266 335 I HN 0.711 nan 8.210 nan 0.000 0.434 336 Q N 6.389 126.301 119.800 0.186 0.000 2.509 336 Q HA 0.329 4.668 4.340 -0.001 0.000 0.236 336 Q C -1.187 174.867 176.000 0.091 0.000 1.073 336 Q CA -0.582 55.346 55.803 0.207 0.000 0.867 336 Q CB 0.773 29.703 28.738 0.320 0.000 1.181 336 Q HN 0.492 nan 8.270 nan 0.000 0.526 337 L N 4.020 125.326 121.223 0.137 0.000 2.574 337 L HA 0.108 4.447 4.340 -0.001 0.000 0.281 337 L C -0.203 176.762 176.870 0.158 0.000 1.212 337 L CA 0.404 55.336 54.840 0.153 0.000 1.082 337 L CB -0.737 41.441 42.059 0.198 0.000 1.362 337 L HN 0.529 nan 8.230 nan 0.000 0.451 338 N N 2.869 121.593 118.700 0.040 0.000 2.415 338 N HA 0.221 4.961 4.740 -0.001 0.000 0.250 338 N C -0.097 175.499 175.510 0.143 0.000 1.127 338 N CA 0.234 53.312 53.050 0.046 0.000 0.945 338 N CB 0.096 38.507 38.487 -0.127 0.000 1.196 338 N HN 0.550 nan 8.380 nan 0.000 0.499 339 D N 0.259 120.759 120.400 0.167 0.000 5.019 339 D HA -0.233 4.406 4.640 -0.001 0.000 0.304 339 D C 0.477 176.938 176.300 0.269 0.000 2.360 339 D CA 1.569 55.684 54.000 0.193 0.000 1.276 339 D CB -0.732 40.144 40.800 0.127 0.000 1.079 339 D HN 0.495 nan 8.370 nan 0.000 1.254 340 T N -2.717 111.910 114.554 0.122 0.000 3.088 340 T HA 0.049 4.399 4.350 -0.001 0.000 0.259 340 T C 1.709 176.523 174.700 0.190 0.000 1.122 340 T CA 1.736 63.933 62.100 0.162 0.000 1.095 340 T CB -0.559 68.371 68.868 0.102 0.000 0.930 340 T HN 0.537 nan 8.240 nan 0.000 0.508 341 H N 2.458 121.639 119.070 0.185 0.000 2.426 341 H HA -0.016 4.539 4.556 -0.001 0.000 0.298 341 H C -1.063 174.361 175.328 0.161 0.000 1.107 341 H CA 0.928 57.079 56.048 0.172 0.000 1.298 341 H CB -0.651 29.192 29.762 0.135 0.000 1.377 341 H HN 0.464 nan 8.280 nan 0.000 0.519 342 P HA 0.076 nan 4.420 nan 0.000 0.262 342 P C 0.612 177.995 177.300 0.139 0.000 1.651 342 P CA 0.193 63.396 63.100 0.172 0.000 1.119 342 P CB 0.583 32.365 31.700 0.136 0.000 1.552 343 S N -0.547 115.241 115.700 0.148 0.000 2.428 343 S HA -0.060 4.410 4.470 -0.001 0.000 0.230 343 S C 1.674 176.327 174.600 0.088 0.000 1.014 343 S CA 0.543 58.794 58.200 0.086 0.000 0.957 343 S CB -1.228 62.007 63.200 0.057 0.000 0.784 343 S HN 0.157 nan 8.310 nan 0.000 0.499 344 L N 1.103 122.396 121.223 0.115 0.000 2.642 344 L HA 0.012 4.352 4.340 -0.001 0.000 0.236 344 L C 2.540 179.481 176.870 0.119 0.000 1.169 344 L CA 0.717 55.623 54.840 0.111 0.000 0.851 344 L CB -0.713 41.412 42.059 0.111 0.000 0.968 344 L HN 0.515 nan 8.230 nan 0.000 0.453 345 A N -0.329 122.538 122.820 0.080 0.000 2.119 345 A HA -0.046 4.273 4.320 -0.001 0.000 0.216 345 A C 2.051 179.659 177.584 0.041 0.000 1.152 345 A CA 0.612 52.676 52.037 0.044 0.000 0.708 345 A CB -0.136 18.880 19.000 0.026 0.000 0.805 345 A HN 0.388 nan 8.150 nan 0.000 0.460 346 I N 0.397 121.002 120.570 0.058 0.000 2.270 346 I HA -0.069 4.101 4.170 -0.001 0.000 0.239 346 I C -0.392 175.784 176.117 0.098 0.000 1.080 346 I CA 0.753 62.088 61.300 0.059 0.000 1.383 346 I CB -1.273 36.771 38.000 0.073 0.000 1.097 346 I HN 0.156 nan 8.210 nan 0.000 0.420 347 P HA -0.243 nan 4.420 nan 0.000 0.216 347 P C 1.327 178.679 177.300 0.087 0.000 1.157 347 P CA 1.804 64.969 63.100 0.109 0.000 0.880 347 P CB -0.030 31.774 31.700 0.173 0.000 0.791 348 E N -0.357 119.950 120.200 0.179 0.000 2.110 348 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 348 E C 1.931 178.525 176.600 -0.011 0.000 0.988 348 E CA 0.607 57.109 56.400 0.169 0.000 0.804 348 E CB -1.206 28.625 29.700 0.218 0.000 0.745 348 E HN 0.024 nan 8.360 nan 0.000 0.458 349 L N 0.014 121.207 121.223 -0.051 0.000 1.994 349 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 349 L C 2.115 178.882 176.870 -0.173 0.000 1.071 349 L CA 1.910 56.663 54.840 -0.144 0.000 0.745 349 L CB -0.681 41.290 42.059 -0.147 0.000 0.892 349 L HN 0.224 nan 8.230 nan 0.000 0.431 350 M N -0.816 118.716 119.600 -0.113 0.000 2.435 350 M HA -0.197 4.282 4.480 -0.001 0.000 0.262 350 M C 2.321 178.540 176.300 -0.134 0.000 1.065 350 M CA 1.230 56.455 55.300 -0.125 0.000 1.076 350 M CB -0.893 31.689 32.600 -0.031 0.000 1.403 350 M HN 0.391 nan 8.290 nan 0.000 0.454 351 R N -0.267 120.144 120.500 -0.148 0.000 2.052 351 R HA -0.071 4.268 4.340 -0.001 0.000 0.226 351 R C 2.098 178.310 176.300 -0.146 0.000 1.145 351 R CA 1.141 57.131 56.100 -0.183 0.000 0.952 351 R CB -0.113 30.016 30.300 -0.285 0.000 0.847 351 R HN 0.126 nan 8.270 nan 0.000 0.431 352 V N 1.993 121.820 119.914 -0.145 0.000 2.219 352 V HA -0.297 3.823 4.120 -0.001 0.000 0.248 352 V C 2.318 178.275 176.094 -0.227 0.000 1.053 352 V CA 1.858 64.064 62.300 -0.157 0.000 1.009 352 V CB -0.478 31.247 31.823 -0.164 0.000 0.636 352 V HN 0.405 nan 8.190 nan 0.000 0.445 353 L N -0.567 120.464 121.223 -0.320 0.000 2.633 353 L HA -0.075 4.264 4.340 -0.001 0.000 0.235 353 L C 1.832 178.539 176.870 -0.271 0.000 1.163 353 L CA 0.589 55.174 54.840 -0.424 0.000 0.859 353 L CB -0.500 41.242 42.059 -0.528 0.000 0.973 353 L HN 0.272 nan 8.230 nan 0.000 0.451 354 V N -0.968 118.846 119.914 -0.167 0.000 2.868 354 V HA -0.050 4.069 4.120 -0.001 0.000 0.227 354 V C 1.863 177.927 176.094 -0.051 0.000 1.136 354 V CA 0.821 63.076 62.300 -0.076 0.000 1.206 354 V CB -0.075 31.742 31.823 -0.010 0.000 0.997 354 V HN 0.218 nan 8.190 nan 0.000 0.505 355 D N 0.537 120.909 120.400 -0.047 0.000 2.092 355 D HA -0.157 4.483 4.640 -0.001 0.000 0.193 355 D C 1.838 178.126 176.300 -0.021 0.000 0.994 355 D CA 1.342 55.326 54.000 -0.027 0.000 0.828 355 D CB -0.236 40.548 40.800 -0.028 0.000 0.963 355 D HN 0.221 nan 8.370 nan 0.000 0.450 356 L N 0.230 121.429 121.223 -0.040 0.000 2.270 356 L HA 0.012 4.351 4.340 -0.001 0.000 0.210 356 L C 1.402 178.257 176.870 -0.025 0.000 1.104 356 L CA 1.270 56.093 54.840 -0.027 0.000 0.804 356 L CB 0.007 42.042 42.059 -0.039 0.000 0.937 356 L HN -0.125 nan 8.230 nan 0.000 0.450 357 E N -0.734 119.428 120.200 -0.063 0.000 3.686 357 E HA 0.259 4.608 4.350 -0.001 0.000 0.357 357 E C 0.222 176.805 176.600 -0.029 0.000 0.562 357 E CA -0.378 55.996 56.400 -0.043 0.000 2.008 357 E CB 0.261 29.860 29.700 -0.168 0.000 2.161 357 E HN -0.089 nan 8.360 nan 0.000 0.464 358 R N -0.158 120.321 120.500 -0.035 0.000 2.464 358 R HA 0.264 4.603 4.340 -0.001 0.000 0.282 358 R C -0.986 175.312 176.300 -0.004 0.000 0.670 358 R CA 0.046 56.143 56.100 -0.005 0.000 0.910 358 R CB -0.498 29.816 30.300 0.024 0.000 1.533 358 R HN 0.146 nan 8.270 nan 0.000 0.536 359 L N 2.245 123.439 121.223 -0.047 0.000 2.426 359 L HA 0.233 4.573 4.340 -0.001 0.000 0.271 359 L C 0.764 177.636 176.870 0.002 0.000 1.169 359 L CA -0.288 54.532 54.840 -0.033 0.000 0.836 359 L CB 0.371 42.362 42.059 -0.113 0.000 1.112 359 L HN 0.295 nan 8.230 nan 0.000 0.465 360 D N 1.191 121.617 120.400 0.044 0.000 2.393 360 D HA -0.118 4.521 4.640 -0.001 0.000 0.246 360 D C 0.636 177.008 176.300 0.119 0.000 1.275 360 D CA -0.399 53.662 54.000 0.101 0.000 0.979 360 D CB 0.877 41.744 40.800 0.111 0.000 1.101 360 D HN 0.598 nan 8.370 nan 0.000 0.505 361 W N 0.208 121.517 121.300 0.015 0.000 2.407 361 W HA -0.061 4.598 4.660 -0.001 0.000 0.305 361 W C 1.721 178.288 176.519 0.080 0.000 1.196 361 W CA 1.616 58.975 57.345 0.024 0.000 1.311 361 W CB -0.246 29.208 29.460 -0.010 0.000 1.135 361 W HN 0.454 nan 8.180 nan 0.000 0.514 362 D N -0.469 120.118 120.400 0.312 0.000 2.219 362 D HA -0.183 4.456 4.640 -0.001 0.000 0.205 362 D C 1.880 178.249 176.300 0.115 0.000 0.970 362 D CA 1.280 55.437 54.000 0.260 0.000 0.851 362 D CB -0.099 40.858 40.800 0.261 0.000 0.943 362 D HN -0.058 nan 8.370 nan 0.000 0.488 363 K N 0.850 121.287 120.400 0.062 0.000 2.007 363 K HA 0.104 4.423 4.320 -0.001 0.000 0.206 363 K C 1.781 178.345 176.600 -0.061 0.000 1.047 363 K CA 1.221 57.518 56.287 0.017 0.000 0.937 363 K CB -0.485 32.032 32.500 0.028 0.000 0.718 363 K HN 0.018 nan 8.250 nan 0.000 0.438 364 A N 0.067 122.805 122.820 -0.137 0.000 2.125 364 A HA -0.146 4.174 4.320 -0.001 0.000 0.219 364 A C 2.015 179.455 177.584 -0.240 0.000 1.156 364 A CA 1.075 52.975 52.037 -0.228 0.000 0.671 364 A CB -0.956 17.873 19.000 -0.284 0.000 0.794 364 A HN 0.689 nan 8.150 nan 0.000 0.459 365 W N 0.364 121.363 121.300 -0.502 0.000 2.494 365 W HA -0.067 4.592 4.660 -0.001 0.000 0.286 365 W C 1.872 178.257 176.519 -0.223 0.000 1.218 365 W CA 1.109 58.169 57.345 -0.475 0.000 1.313 365 W CB 0.025 29.091 29.460 -0.658 0.000 1.105 365 W HN 0.602 nan 8.180 nan 0.000 0.561 366 E N 0.552 120.666 120.200 -0.144 0.000 2.023 366 E HA -0.243 4.107 4.350 -0.001 0.000 0.196 366 E C 1.955 178.445 176.600 -0.184 0.000 1.003 366 E CA 2.219 58.531 56.400 -0.147 0.000 0.809 366 E CB -0.471 29.204 29.700 -0.042 0.000 0.755 366 E HN 0.054 nan 8.360 nan 0.000 0.449 367 V N 1.154 120.980 119.914 -0.147 0.000 2.332 367 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 367 V C 2.475 178.455 176.094 -0.190 0.000 1.055 367 V CA 2.270 64.493 62.300 -0.127 0.000 1.038 367 V CB -0.958 30.781 31.823 -0.139 0.000 0.651 367 V HN 0.404 nan 8.190 nan 0.000 0.450 368 T N -0.022 114.355 114.554 -0.296 0.000 2.588 368 T HA -0.221 4.129 4.350 -0.001 0.000 0.261 368 T C 1.962 176.451 174.700 -0.351 0.000 1.069 368 T CA 1.903 63.808 62.100 -0.325 0.000 1.172 368 T CB -0.610 68.006 68.868 -0.421 0.000 0.863 368 T HN 0.351 nan 8.240 nan 0.000 0.408 369 V N 1.605 121.170 119.914 -0.582 0.000 2.594 369 V HA -0.142 3.977 4.120 -0.001 0.000 0.253 369 V C 2.164 178.171 176.094 -0.146 0.000 1.069 369 V CA 1.719 63.771 62.300 -0.413 0.000 1.082 369 V CB -0.597 30.880 31.823 -0.576 0.000 0.680 369 V HN 0.414 nan 8.190 nan 0.000 0.469 370 K N -0.440 119.861 120.400 -0.165 0.000 2.211 370 K HA -0.075 4.245 4.320 -0.001 0.000 0.203 370 K C 2.006 178.581 176.600 -0.043 0.000 1.050 370 K CA 1.692 57.878 56.287 -0.169 0.000 0.945 370 K CB -0.219 32.192 32.500 -0.149 0.000 0.732 370 K HN 0.535 nan 8.250 nan 0.000 0.451 371 T N 0.249 114.819 114.554 0.026 0.000 3.054 371 T HA 0.021 4.371 4.350 -0.001 0.000 0.259 371 T C 0.859 175.660 174.700 0.169 0.000 1.092 371 T CA 0.346 62.514 62.100 0.115 0.000 1.121 371 T CB 0.091 69.040 68.868 0.134 0.000 0.912 371 T HN 0.145 nan 8.240 nan 0.000 0.489 372 C N 2.112 121.494 119.300 0.138 0.000 2.391 372 C HA 0.914 5.373 4.460 -0.001 0.000 0.339 372 C C 0.488 175.541 174.990 0.104 0.000 1.205 372 C CA -1.233 57.855 59.018 0.117 0.000 1.937 372 C CB 0.572 28.324 27.740 0.021 0.000 2.341 372 C HN 0.547 nan 8.230 nan 0.000 0.516 373 A N 1.654 124.530 122.820 0.094 0.000 2.498 373 A HA 0.769 5.089 4.320 -0.001 0.000 0.298 373 A C -1.824 175.836 177.584 0.126 0.000 1.075 373 A CA -0.348 51.691 52.037 0.003 0.000 0.714 373 A CB 1.131 20.120 19.000 -0.018 0.000 1.299 373 A HN 0.837 nan 8.150 nan 0.000 0.407 374 Y N 0.775 121.040 120.300 -0.057 0.000 2.341 374 Y HA 0.609 5.159 4.550 -0.001 0.000 0.338 374 Y C -0.247 175.662 175.900 0.015 0.000 0.965 374 Y CA -0.543 57.542 58.100 -0.025 0.000 1.108 374 Y CB 2.058 40.466 38.460 -0.087 0.000 1.180 374 Y HN 0.502 nan 8.280 nan 0.000 0.458 375 T N 7.155 121.444 114.554 -0.442 0.000 2.929 375 T HA 0.125 4.474 4.350 -0.001 0.000 0.331 375 T C -0.442 173.832 174.700 -0.710 0.000 1.120 375 T CA -0.536 61.307 62.100 -0.428 0.000 0.973 375 T CB -0.609 68.181 68.868 -0.129 0.000 1.036 375 T HN 0.587 nan 8.240 nan 0.000 0.502 376 N N 2.138 120.460 118.700 -0.630 0.000 2.497 376 N HA 0.035 4.774 4.740 -0.001 0.000 0.268 376 N C 0.155 175.599 175.510 -0.111 0.000 1.171 376 N CA 0.172 53.030 53.050 -0.319 0.000 0.948 376 N CB 0.628 39.120 38.487 0.009 0.000 1.069 376 N HN 0.559 nan 8.380 nan 0.000 0.460 377 H N -0.087 119.005 119.070 0.037 0.000 2.674 377 H HA 0.191 4.747 4.556 -0.001 0.000 0.274 377 H C -0.140 175.113 175.328 -0.126 0.000 1.121 377 H CA -0.360 55.630 56.048 -0.096 0.000 1.132 377 H CB 0.358 30.051 29.762 -0.114 0.000 1.606 377 H HN 0.387 nan 8.280 nan 0.000 0.558 378 T N 0.041 114.680 114.554 0.142 0.000 2.837 378 T HA 0.211 4.561 4.350 -0.001 0.000 0.285 378 T C 1.208 175.997 174.700 0.148 0.000 0.984 378 T CA -0.345 61.794 62.100 0.066 0.000 1.049 378 T CB 1.271 70.154 68.868 0.024 0.000 0.947 378 T HN 0.120 nan 8.240 nan 0.000 0.472 379 V N 5.457 125.399 119.914 0.046 0.000 2.788 379 V HA 0.247 4.367 4.120 -0.001 0.000 0.251 379 V C 0.815 176.902 176.094 -0.011 0.000 1.068 379 V CA 0.925 63.276 62.300 0.084 0.000 1.090 379 V CB -0.177 31.672 31.823 0.043 0.000 0.710 379 V HN 0.785 nan 8.190 nan 0.000 0.467 380 I N -1.994 118.551 120.570 -0.042 0.000 2.378 380 I HA 0.423 4.593 4.170 -0.001 0.000 0.291 380 I C -1.798 174.290 176.117 -0.048 0.000 0.992 380 I CA -2.385 58.884 61.300 -0.052 0.000 1.154 380 I CB 1.517 39.480 38.000 -0.061 0.000 1.315 380 I HN -0.090 nan 8.210 nan 0.000 0.448 381 P HA -0.139 nan 4.420 nan 0.000 0.223 381 P C 1.160 178.450 177.300 -0.017 0.000 1.151 381 P CA 1.013 64.098 63.100 -0.024 0.000 0.787 381 P CB -0.016 31.678 31.700 -0.010 0.000 0.788 382 E N 0.648 120.832 120.200 -0.027 0.000 2.233 382 E HA -0.215 4.135 4.350 -0.001 0.000 0.199 382 E C 1.717 178.290 176.600 -0.045 0.000 1.004 382 E CA 1.806 58.187 56.400 -0.032 0.000 0.819 382 E CB -1.128 28.553 29.700 -0.033 0.000 0.738 382 E HN 0.243 nan 8.360 nan 0.000 0.478 383 A N 1.317 124.109 122.820 -0.047 0.000 1.975 383 A HA 0.079 4.398 4.320 -0.001 0.000 0.215 383 A C 1.151 178.707 177.584 -0.046 0.000 1.170 383 A CA -0.208 51.795 52.037 -0.057 0.000 0.656 383 A CB -0.226 18.738 19.000 -0.060 0.000 0.821 383 A HN 0.180 nan 8.150 nan 0.000 0.449 384 L N 1.739 122.954 121.223 -0.013 0.000 2.906 384 L HA -0.122 4.217 4.340 -0.001 0.000 0.292 384 L C 0.664 177.512 176.870 -0.037 0.000 1.130 384 L CA 0.610 55.462 54.840 0.019 0.000 0.940 384 L CB -1.195 40.902 42.059 0.063 0.000 1.336 384 L HN 0.481 nan 8.230 nan 0.000 0.469 385 E N 4.571 124.740 120.200 -0.052 0.000 2.417 385 E HA 0.129 4.478 4.350 -0.001 0.000 0.261 385 E C -0.280 176.189 176.600 -0.218 0.000 1.000 385 E CA -0.130 56.173 56.400 -0.162 0.000 0.919 385 E CB 0.440 30.073 29.700 -0.111 0.000 0.955 385 E HN 0.415 nan 8.360 nan 0.000 0.455 386 R N 3.715 124.015 120.500 -0.335 0.000 2.621 386 R HA 0.364 4.704 4.340 -0.001 0.000 0.292 386 R C -1.359 174.738 176.300 -0.338 0.000 0.969 386 R CA -0.562 55.396 56.100 -0.235 0.000 0.887 386 R CB 1.372 31.589 30.300 -0.138 0.000 1.180 386 R HN 0.479 nan 8.270 nan 0.000 0.450 387 W N 3.522 124.811 121.300 -0.019 0.000 2.573 387 W HA 0.402 5.062 4.660 -0.001 0.000 0.326 387 W C -2.122 174.357 176.519 -0.068 0.000 1.049 387 W CA -2.305 55.013 57.345 -0.046 0.000 1.220 387 W CB 1.869 31.299 29.460 -0.050 0.000 1.373 387 W HN 0.320 nan 8.180 nan 0.000 0.507 388 P HA -0.029 nan 4.420 nan 0.000 0.276 388 P C 0.738 178.035 177.300 -0.005 0.000 1.230 388 P CA -0.141 62.973 63.100 0.023 0.000 0.776 388 P CB 0.942 32.568 31.700 -0.124 0.000 0.888 389 V N 1.546 121.504 119.914 0.073 0.000 2.594 389 V HA -0.290 3.830 4.120 -0.001 0.000 0.253 389 V C 1.928 178.062 176.094 0.066 0.000 1.069 389 V CA 2.219 64.564 62.300 0.075 0.000 1.082 389 V CB -2.168 29.750 31.823 0.158 0.000 0.680 389 V HN 0.667 nan 8.190 nan 0.000 0.469 390 H N -0.104 119.010 119.070 0.073 0.000 2.421 390 H HA -0.053 4.502 4.556 -0.001 0.000 0.298 390 H C 1.806 177.154 175.328 0.033 0.000 1.087 390 H CA 1.973 58.054 56.048 0.055 0.000 1.330 390 H CB -0.679 29.119 29.762 0.059 0.000 1.388 390 H HN 0.408 nan 8.280 nan 0.000 0.526 391 L N -0.349 120.746 121.223 -0.213 0.000 2.007 391 L HA -0.054 4.285 4.340 -0.001 0.000 0.205 391 L C 2.261 179.044 176.870 -0.145 0.000 1.073 391 L CA 0.868 55.618 54.840 -0.149 0.000 0.744 391 L CB -0.670 41.248 42.059 -0.236 0.000 0.898 391 L HN 0.249 nan 8.230 nan 0.000 0.435 392 L N -0.259 120.856 121.223 -0.180 0.000 2.051 392 L HA -0.280 4.059 4.340 -0.001 0.000 0.214 392 L C 2.576 179.353 176.870 -0.156 0.000 1.076 392 L CA 1.753 56.468 54.840 -0.210 0.000 0.758 392 L CB -0.783 41.164 42.059 -0.186 0.000 0.890 392 L HN 0.408 nan 8.230 nan 0.000 0.433 393 E N -1.382 118.765 120.200 -0.087 0.000 2.072 393 E HA -0.189 4.161 4.350 -0.001 0.000 0.191 393 E C 1.790 178.391 176.600 0.000 0.000 0.985 393 E CA 1.603 57.975 56.400 -0.047 0.000 0.801 393 E CB 0.099 29.803 29.700 0.008 0.000 0.750 393 E HN 0.486 nan 8.360 nan 0.000 0.452 394 T N 0.918 115.488 114.554 0.027 0.000 2.951 394 T HA -0.078 4.271 4.350 -0.001 0.000 0.268 394 T C 1.590 176.301 174.700 0.018 0.000 1.073 394 T CA 0.497 62.647 62.100 0.083 0.000 1.134 394 T CB 0.042 68.987 68.868 0.129 0.000 0.884 394 T HN 0.052 nan 8.240 nan 0.000 0.479 395 L N -0.033 121.108 121.223 -0.136 0.000 2.200 395 L HA 0.316 4.656 4.340 -0.001 0.000 0.200 395 L C 0.019 176.769 176.870 -0.201 0.000 1.072 395 L CA 1.187 55.843 54.840 -0.307 0.000 0.787 395 L CB 0.223 42.037 42.059 -0.408 0.000 0.957 395 L HN 0.113 nan 8.230 nan 0.000 0.459 396 L N 1.128 122.222 121.223 -0.215 0.000 2.625 396 L HA 0.317 4.656 4.340 -0.001 0.000 0.255 396 L C -1.702 175.014 176.870 -0.257 0.000 1.493 396 L CA -1.148 53.546 54.840 -0.244 0.000 0.796 396 L CB 0.082 41.754 42.059 -0.646 0.000 1.064 396 L HN -0.012 nan 8.230 nan 0.000 0.516 397 P HA -0.270 nan 4.420 nan 0.000 0.217 397 P C 1.485 178.590 177.300 -0.325 0.000 1.162 397 P CA 1.429 64.423 63.100 -0.177 0.000 0.901 397 P CB 0.457 32.134 31.700 -0.039 0.000 0.793 398 R N -0.683 119.453 120.500 -0.607 0.000 2.249 398 R HA -0.149 4.190 4.340 -0.001 0.000 0.230 398 R C 2.393 178.363 176.300 -0.550 0.000 1.121 398 R CA 1.336 57.064 56.100 -0.619 0.000 0.997 398 R CB -1.270 28.481 30.300 -0.915 0.000 0.867 398 R HN 0.410 nan 8.270 nan 0.000 0.465 399 H N -1.067 117.688 119.070 -0.525 0.000 2.535 399 H HA 0.018 4.574 4.556 -0.001 0.000 0.273 399 H C 1.705 176.850 175.328 -0.306 0.000 0.983 399 H CA 0.870 56.694 56.048 -0.375 0.000 1.238 399 H CB 0.302 29.815 29.762 -0.415 0.000 1.412 399 H HN 0.218 nan 8.280 nan 0.000 0.562 400 L N 0.668 121.747 121.223 -0.241 0.000 2.023 400 L HA -0.186 4.154 4.340 -0.001 0.000 0.205 400 L C 2.327 178.947 176.870 -0.416 0.000 1.073 400 L CA 1.193 55.797 54.840 -0.392 0.000 0.745 400 L CB -0.095 41.690 42.059 -0.456 0.000 0.900 400 L HN 0.269 nan 8.230 nan 0.000 0.435 401 Q N -0.141 119.503 119.800 -0.260 0.000 2.061 401 Q HA -0.241 4.099 4.340 -0.001 0.000 0.204 401 Q C 2.122 178.083 176.000 -0.065 0.000 0.984 401 Q CA 1.718 57.451 55.803 -0.117 0.000 0.846 401 Q CB -0.184 28.526 28.738 -0.046 0.000 0.902 401 Q HN 0.502 nan 8.270 nan 0.000 0.421 402 I N 0.532 121.053 120.570 -0.082 0.000 2.226 402 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 402 I C 2.205 178.342 176.117 0.034 0.000 1.100 402 I CA 1.103 62.409 61.300 0.011 0.000 1.374 402 I CB -0.223 37.762 38.000 -0.024 0.000 1.057 402 I HN 0.222 nan 8.210 nan 0.000 0.413 403 I N -0.354 120.210 120.570 -0.010 0.000 2.248 403 I HA -0.345 3.825 4.170 -0.001 0.000 0.248 403 I C 2.354 178.546 176.117 0.126 0.000 1.107 403 I CA 1.550 62.868 61.300 0.030 0.000 1.373 403 I CB -0.343 37.634 38.000 -0.040 0.000 1.055 403 I HN 0.238 nan 8.210 nan 0.000 0.418 404 Y N 0.309 120.606 120.300 -0.006 0.000 2.286 404 Y HA -0.153 4.396 4.550 -0.001 0.000 0.293 404 Y C 2.529 178.398 175.900 -0.053 0.000 1.124 404 Y CA 1.017 59.108 58.100 -0.015 0.000 1.178 404 Y CB -0.660 37.788 38.460 -0.019 0.000 1.010 404 Y HN 0.155 nan 8.280 nan 0.000 0.536 405 E N 0.393 120.630 120.200 0.061 0.000 2.358 405 E HA -0.035 4.314 4.350 -0.001 0.000 0.195 405 E C 1.906 178.399 176.600 -0.178 0.000 1.010 405 E CA 0.558 56.876 56.400 -0.136 0.000 0.856 405 E CB -0.428 29.123 29.700 -0.247 0.000 0.795 405 E HN 0.444 nan 8.360 nan 0.000 0.504 406 I N 0.214 120.769 120.570 -0.026 0.000 2.286 406 I HA -0.194 3.976 4.170 -0.001 0.000 0.245 406 I C 2.191 178.296 176.117 -0.020 0.000 1.104 406 I CA 1.306 62.554 61.300 -0.085 0.000 1.397 406 I CB -0.416 37.538 38.000 -0.075 0.000 1.072 406 I HN 0.173 nan 8.210 nan 0.000 0.417 407 N N 0.933 119.674 118.700 0.068 0.000 2.188 407 N HA -0.254 4.485 4.740 -0.001 0.000 0.184 407 N C 1.974 177.537 175.510 0.088 0.000 1.018 407 N CA 1.126 54.262 53.050 0.143 0.000 0.858 407 N CB -0.085 38.500 38.487 0.163 0.000 0.989 407 N HN 0.263 nan 8.380 nan 0.000 0.426 408 Q N -0.104 119.693 119.800 -0.006 0.000 2.096 408 Q HA -0.187 4.153 4.340 -0.001 0.000 0.204 408 Q C 1.843 177.802 176.000 -0.069 0.000 0.982 408 Q CA 1.478 57.244 55.803 -0.062 0.000 0.850 408 Q CB 0.066 28.728 28.738 -0.127 0.000 0.901 408 Q HN 0.433 nan 8.270 nan 0.000 0.422 409 R N -0.924 119.517 120.500 -0.098 0.000 2.075 409 R HA -0.021 4.318 4.340 -0.001 0.000 0.220 409 R C 2.170 178.499 176.300 0.050 0.000 1.118 409 R CA 0.920 56.976 56.100 -0.073 0.000 0.986 409 R CB -0.455 29.730 30.300 -0.191 0.000 0.884 409 R HN 0.215 nan 8.270 nan 0.000 0.439 410 F N 2.019 121.978 119.950 0.014 0.000 2.063 410 F HA -0.237 4.290 4.527 -0.001 0.000 0.298 410 F C 1.816 177.666 175.800 0.084 0.000 1.109 410 F CA 1.610 59.672 58.000 0.102 0.000 1.212 410 F CB -0.369 38.721 39.000 0.149 0.000 0.973 410 F HN -0.081 nan 8.300 nan 0.000 0.480 411 L N -0.081 121.148 121.223 0.011 0.000 2.191 411 L HA -0.252 4.087 4.340 -0.001 0.000 0.212 411 L C 2.093 178.896 176.870 -0.111 0.000 1.103 411 L CA 1.628 56.409 54.840 -0.097 0.000 0.769 411 L CB -0.887 41.190 42.059 0.029 0.000 0.908 411 L HN 0.302 nan 8.230 nan 0.000 0.438 412 N N -0.128 118.529 118.700 -0.072 0.000 2.084 412 N HA -0.226 4.514 4.740 -0.001 0.000 0.190 412 N C 2.003 177.465 175.510 -0.081 0.000 1.030 412 N CA 1.059 54.071 53.050 -0.064 0.000 0.849 412 N CB -0.031 38.427 38.487 -0.048 0.000 1.012 412 N HN 0.177 nan 8.380 nan 0.000 0.423 413 R N 0.690 121.131 120.500 -0.099 0.000 2.096 413 R HA -0.089 4.250 4.340 -0.001 0.000 0.235 413 R C 1.683 177.886 176.300 -0.162 0.000 1.127 413 R CA 1.123 57.164 56.100 -0.098 0.000 0.968 413 R CB -0.242 30.029 30.300 -0.049 0.000 0.861 413 R HN 0.059 nan 8.270 nan 0.000 0.440 414 V N 1.269 121.000 119.914 -0.304 0.000 2.295 414 V HA -0.214 3.906 4.120 -0.001 0.000 0.246 414 V C 2.549 178.611 176.094 -0.055 0.000 1.049 414 V CA 1.955 64.114 62.300 -0.235 0.000 1.024 414 V CB -0.876 30.727 31.823 -0.367 0.000 0.648 414 V HN 0.559 nan 8.190 nan 0.000 0.447 415 A N -0.074 122.703 122.820 -0.072 0.000 2.019 415 A HA -0.053 4.266 4.320 -0.001 0.000 0.219 415 A C 2.373 179.943 177.584 -0.023 0.000 1.164 415 A CA 1.856 53.879 52.037 -0.024 0.000 0.644 415 A CB -0.622 18.357 19.000 -0.035 0.000 0.805 415 A HN 0.580 nan 8.150 nan 0.000 0.449 416 A N -0.341 122.452 122.820 -0.046 0.000 1.930 416 A HA 0.232 4.552 4.320 -0.001 0.000 0.217 416 A C 2.405 179.942 177.584 -0.078 0.000 1.175 416 A CA 1.842 53.850 52.037 -0.049 0.000 0.627 416 A CB -0.696 18.276 19.000 -0.046 0.000 0.815 416 A HN 0.925 nan 8.150 nan 0.000 0.443 417 A N -1.288 121.464 122.820 -0.113 0.000 1.903 417 A HA 0.360 4.680 4.320 -0.001 0.000 0.213 417 A C 0.487 177.823 177.584 -0.413 0.000 1.185 417 A CA 0.518 52.383 52.037 -0.287 0.000 0.628 417 A CB -0.181 18.590 19.000 -0.382 0.000 0.830 417 A HN 0.416 nan 8.150 nan 0.000 0.446 418 F N 0.645 120.559 119.950 -0.060 0.000 2.371 418 F HA 0.393 4.920 4.527 -0.001 0.000 0.343 418 F C -2.630 173.140 175.800 -0.050 0.000 1.150 418 F CA -2.833 55.136 58.000 -0.051 0.000 1.220 418 F CB 0.633 39.599 39.000 -0.057 0.000 1.475 418 F HN -0.019 nan 8.300 nan 0.000 0.521 419 P HA 0.206 nan 4.420 nan 0.000 0.270 419 P C 1.080 178.406 177.300 0.043 0.000 1.223 419 P CA 0.742 63.864 63.100 0.036 0.000 0.785 419 P CB 0.927 32.631 31.700 0.006 0.000 0.923 420 G N 0.790 109.603 108.800 0.022 0.000 2.353 420 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.258 420 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.258 420 G C 0.380 175.288 174.900 0.013 0.000 1.013 420 G CA 0.503 45.612 45.100 0.015 0.000 0.622 420 G HN 0.674 nan 8.290 nan 0.000 0.535 421 D N 0.856 121.270 120.400 0.023 0.000 2.517 421 D HA 0.484 5.123 4.640 -0.001 0.000 0.220 421 D C 1.502 177.790 176.300 -0.021 0.000 1.158 421 D CA 0.096 54.093 54.000 -0.005 0.000 0.992 421 D CB 0.557 41.346 40.800 -0.018 0.000 1.058 421 D HN 0.059 nan 8.370 nan 0.000 0.516 422 V N 2.758 122.661 119.914 -0.017 0.000 2.828 422 V HA -0.201 3.918 4.120 -0.001 0.000 0.260 422 V C 1.599 177.678 176.094 -0.025 0.000 1.101 422 V CA 1.816 64.105 62.300 -0.018 0.000 1.123 422 V CB -0.215 31.600 31.823 -0.013 0.000 0.704 422 V HN 0.494 nan 8.190 nan 0.000 0.493 423 D N -1.147 119.233 120.400 -0.035 0.000 2.277 423 D HA -0.049 4.591 4.640 -0.001 0.000 0.209 423 D C 2.336 178.603 176.300 -0.056 0.000 0.970 423 D CA 0.376 54.353 54.000 -0.038 0.000 0.874 423 D CB 0.035 40.812 40.800 -0.040 0.000 0.982 423 D HN 0.211 nan 8.370 nan 0.000 0.504 424 R N -0.072 120.376 120.500 -0.088 0.000 2.073 424 R HA -0.054 4.286 4.340 -0.001 0.000 0.234 424 R C 2.238 178.487 176.300 -0.085 0.000 1.134 424 R CA 0.976 56.996 56.100 -0.133 0.000 0.952 424 R CB -0.235 29.946 30.300 -0.198 0.000 0.850 424 R HN 0.230 nan 8.270 nan 0.000 0.433 425 L N 0.541 121.732 121.223 -0.053 0.000 2.081 425 L HA -0.258 4.082 4.340 -0.001 0.000 0.212 425 L C 2.509 179.388 176.870 0.015 0.000 1.080 425 L CA 1.852 56.680 54.840 -0.019 0.000 0.754 425 L CB -0.552 41.497 42.059 -0.016 0.000 0.893 425 L HN 0.331 nan 8.230 nan 0.000 0.433 426 R N -0.150 120.354 120.500 0.006 0.000 2.093 426 R HA -0.057 4.282 4.340 -0.001 0.000 0.224 426 R C 2.265 178.594 176.300 0.049 0.000 1.101 426 R CA 0.603 56.721 56.100 0.029 0.000 0.979 426 R CB -0.448 29.862 30.300 0.016 0.000 0.877 426 R HN 0.253 nan 8.270 nan 0.000 0.441 427 R N 0.374 120.883 120.500 0.015 0.000 2.115 427 R HA 0.082 4.421 4.340 -0.001 0.000 0.226 427 R C 2.121 178.442 176.300 0.036 0.000 1.100 427 R CA 1.430 57.545 56.100 0.026 0.000 0.980 427 R CB -0.175 30.103 30.300 -0.036 0.000 0.875 427 R HN 0.274 nan 8.270 nan 0.000 0.445 428 M N 0.197 119.777 119.600 -0.034 0.000 2.435 428 M HA 0.012 4.491 4.480 -0.001 0.000 0.265 428 M C 0.857 177.300 176.300 0.239 0.000 1.104 428 M CA 0.160 55.401 55.300 -0.097 0.000 1.140 428 M CB 0.328 32.861 32.600 -0.112 0.000 1.372 428 M HN -0.085 nan 8.290 nan 0.000 0.456 429 S N 1.224 117.072 115.700 0.246 0.000 2.715 429 S HA -0.080 4.389 4.470 -0.001 0.000 0.318 429 S C 1.196 176.016 174.600 0.366 0.000 1.242 429 S CA -0.124 58.245 58.200 0.283 0.000 1.044 429 S CB 0.300 63.608 63.200 0.179 0.000 0.760 429 S HN 0.338 nan 8.310 nan 0.000 0.501 430 L N 4.567 125.978 121.223 0.314 0.000 2.275 430 L HA 0.008 4.348 4.340 -0.001 0.000 0.215 430 L C 0.442 177.440 176.870 0.213 0.000 1.119 430 L CA 0.527 55.533 54.840 0.278 0.000 0.790 430 L CB -0.657 41.523 42.059 0.203 0.000 0.919 430 L HN 0.425 nan 8.230 nan 0.000 0.443 431 V N 0.655 120.681 119.914 0.186 0.000 2.328 431 V HA 0.188 4.308 4.120 -0.001 0.000 0.278 431 V C 0.076 176.238 176.094 0.113 0.000 1.021 431 V CA -0.712 61.677 62.300 0.148 0.000 0.838 431 V CB 1.324 33.218 31.823 0.119 0.000 0.999 431 V HN 0.161 nan 8.190 nan 0.000 0.447 432 E N 4.130 124.388 120.200 0.097 0.000 2.152 432 E HA 0.272 4.621 4.350 -0.001 0.000 0.285 432 E C -0.293 176.346 176.600 0.065 0.000 1.043 432 E CA -0.485 55.960 56.400 0.075 0.000 0.839 432 E CB 1.284 31.015 29.700 0.051 0.000 1.069 432 E HN 0.565 nan 8.360 nan 0.000 0.399 433 E N 1.268 121.499 120.200 0.053 0.000 2.376 433 E HA 0.462 4.811 4.350 -0.001 0.000 0.254 433 E C 0.566 177.191 176.600 0.042 0.000 1.213 433 E CA -0.149 56.278 56.400 0.044 0.000 0.945 433 E CB 1.380 31.098 29.700 0.030 0.000 1.057 433 E HN 0.741 nan 8.360 nan 0.000 0.479 434 G N -0.570 108.253 108.800 0.039 0.000 2.553 434 G HA2 0.126 4.086 3.960 -0.001 0.000 0.106 434 G HA3 0.126 4.086 3.960 -0.001 0.000 0.106 434 G C 0.126 175.047 174.900 0.035 0.000 1.126 434 G CA 0.160 45.280 45.100 0.034 0.000 1.075 434 G HN 0.444 nan 8.290 nan 0.000 0.472 435 A N -1.069 121.772 122.820 0.035 0.000 2.216 435 A HA 0.569 4.888 4.320 -0.001 0.000 0.214 435 A C 0.904 178.517 177.584 0.048 0.000 1.160 435 A CA 1.893 53.951 52.037 0.035 0.000 0.725 435 A CB -0.402 18.616 19.000 0.031 0.000 0.784 435 A HN 2.150 nan 8.150 nan 0.000 0.472 436 V N -0.717 119.233 119.914 0.061 0.000 2.850 436 V HA 0.146 4.265 4.120 -0.001 0.000 0.244 436 V C -0.864 175.286 176.094 0.094 0.000 1.817 436 V CA -0.834 61.519 62.300 0.088 0.000 0.827 436 V CB 0.811 32.702 31.823 0.112 0.000 1.252 436 V HN 0.404 nan 8.190 nan 0.000 0.503 437 K N 6.529 126.990 120.400 0.102 0.000 2.416 437 K HA 0.473 4.793 4.320 -0.001 0.000 0.283 437 K C -0.070 176.598 176.600 0.114 0.000 1.037 437 K CA -0.174 56.173 56.287 0.100 0.000 0.995 437 K CB 0.570 33.131 32.500 0.101 0.000 0.938 437 K HN 0.744 nan 8.250 nan 0.000 0.475 438 R N 3.521 124.080 120.500 0.099 0.000 2.912 438 R HA 0.541 4.880 4.340 -0.001 0.000 0.262 438 R C -0.639 175.726 176.300 0.109 0.000 1.057 438 R CA -0.939 55.218 56.100 0.096 0.000 0.981 438 R CB 1.403 31.738 30.300 0.058 0.000 1.201 438 R HN 0.551 nan 8.270 nan 0.000 0.484 439 I N 1.065 121.703 120.570 0.114 0.000 2.530 439 I HA 0.230 4.400 4.170 -0.001 0.000 0.297 439 I C -0.527 175.630 176.117 0.067 0.000 1.011 439 I CA -0.849 60.522 61.300 0.119 0.000 1.107 439 I CB 1.902 39.985 38.000 0.139 0.000 1.285 439 I HN 0.387 nan 8.210 nan 0.000 0.436 440 N N 6.469 125.184 118.700 0.024 0.000 2.457 440 N HA 0.224 4.964 4.740 -0.001 0.000 0.250 440 N C 0.359 175.840 175.510 -0.048 0.000 0.982 440 N CA -0.432 52.565 53.050 -0.087 0.000 0.941 440 N CB 1.275 39.582 38.487 -0.300 0.000 1.120 440 N HN 0.525 nan 8.380 nan 0.000 0.505 441 M N 2.261 121.846 119.600 -0.024 0.000 2.254 441 M HA 0.025 4.504 4.480 -0.001 0.000 0.265 441 M C 1.858 178.105 176.300 -0.088 0.000 1.066 441 M CA 0.662 55.965 55.300 0.005 0.000 1.123 441 M CB -1.430 31.218 32.600 0.079 0.000 1.388 441 M HN 0.658 nan 8.290 nan 0.000 0.425 442 A N -0.473 122.294 122.820 -0.088 0.000 1.933 442 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 442 A C 1.907 179.299 177.584 -0.319 0.000 1.175 442 A CA 1.503 53.428 52.037 -0.186 0.000 0.628 442 A CB -1.260 17.825 19.000 0.142 0.000 0.814 442 A HN 0.615 nan 8.150 nan 0.000 0.444 443 H N -1.326 117.557 119.070 -0.310 0.000 2.521 443 H HA 0.014 4.570 4.556 -0.001 0.000 0.286 443 H C 1.981 177.090 175.328 -0.364 0.000 1.034 443 H CA 0.638 56.446 56.048 -0.400 0.000 1.278 443 H CB -0.001 29.722 29.762 -0.066 0.000 1.386 443 H HN 0.411 nan 8.280 nan 0.000 0.567 444 L N -0.127 121.015 121.223 -0.134 0.000 1.988 444 L HA -0.212 4.127 4.340 -0.001 0.000 0.207 444 L C 2.488 179.230 176.870 -0.214 0.000 1.071 444 L CA 0.968 55.745 54.840 -0.105 0.000 0.744 444 L CB -0.237 41.802 42.059 -0.033 0.000 0.893 444 L HN 0.384 nan 8.230 nan 0.000 0.433 445 C N -0.062 119.017 119.300 -0.369 0.000 2.367 445 C HA -0.252 4.208 4.460 -0.001 0.000 0.276 445 C C 2.631 177.313 174.990 -0.515 0.000 1.195 445 C CA 0.632 59.316 59.018 -0.557 0.000 1.756 445 C CB -0.995 25.996 27.740 -1.249 0.000 2.046 445 C HN 0.492 nan 8.230 nan 0.000 0.453 446 I N 1.715 121.891 120.570 -0.658 0.000 2.194 446 I HA -0.234 3.935 4.170 -0.001 0.000 0.246 446 I C 2.726 178.612 176.117 -0.385 0.000 1.093 446 I CA 2.283 63.215 61.300 -0.612 0.000 1.355 446 I CB -1.850 35.492 38.000 -1.095 0.000 1.046 446 I HN 0.346 nan 8.210 nan 0.000 0.413 447 A N 0.229 122.822 122.820 -0.379 0.000 1.968 447 A HA 0.056 4.376 4.320 -0.001 0.000 0.217 447 A C 2.249 179.899 177.584 0.110 0.000 1.169 447 A CA 1.631 53.578 52.037 -0.151 0.000 0.638 447 A CB -0.908 17.967 19.000 -0.208 0.000 0.812 447 A HN 0.473 nan 8.150 nan 0.000 0.446 448 G N -1.271 107.516 108.800 -0.021 0.000 3.377 448 G HA2 0.401 4.360 3.960 -0.001 0.000 0.257 448 G HA3 0.401 4.360 3.960 -0.001 0.000 0.257 448 G C 0.018 174.752 174.900 -0.276 0.000 1.038 448 G CA 0.306 45.203 45.100 -0.338 0.000 0.809 448 G HN 0.291 nan 8.290 nan 0.000 0.526 449 S N -0.055 115.549 115.700 -0.161 0.000 2.462 449 S HA 0.307 4.776 4.470 -0.001 0.000 0.294 449 S C 0.884 175.446 174.600 -0.062 0.000 1.144 449 S CA -0.531 57.610 58.200 -0.097 0.000 1.088 449 S CB 1.306 64.462 63.200 -0.074 0.000 1.009 449 S HN 0.616 nan 8.310 nan 0.000 0.484 450 H N 0.918 119.947 119.070 -0.068 0.000 2.524 450 H HA 0.495 5.050 4.556 -0.001 0.000 0.282 450 H C 0.256 175.584 175.328 0.000 0.000 1.016 450 H CA 0.846 56.878 56.048 -0.027 0.000 1.270 450 H CB 0.194 29.951 29.762 -0.007 0.000 1.394 450 H HN 0.533 nan 8.280 nan 0.000 0.568 451 A N 0.764 123.346 122.820 -0.398 0.000 2.455 451 A HA 0.607 4.926 4.320 -0.001 0.000 0.300 451 A C -1.335 176.099 177.584 -0.250 0.000 1.040 451 A CA -0.676 51.172 52.037 -0.314 0.000 0.697 451 A CB 1.754 20.534 19.000 -0.366 0.000 1.265 451 A HN 0.155 nan 8.150 nan 0.000 0.407 452 V N 3.527 123.246 119.914 -0.326 0.000 2.581 452 V HA 0.685 4.805 4.120 -0.001 0.000 0.303 452 V C -0.380 175.586 176.094 -0.213 0.000 1.041 452 V CA -0.704 61.420 62.300 -0.294 0.000 0.907 452 V CB 1.758 33.186 31.823 -0.659 0.000 0.994 452 V HN 1.059 nan 8.190 nan 0.000 0.442 453 N N 1.952 120.594 118.700 -0.097 0.000 2.504 453 N HA 0.504 5.244 4.740 -0.001 0.000 0.268 453 N C -0.569 174.937 175.510 -0.007 0.000 1.184 453 N CA -0.417 52.618 53.050 -0.025 0.000 0.875 453 N CB 2.497 40.981 38.487 -0.005 0.000 1.630 453 N HN 0.724 nan 8.380 nan 0.000 0.486 454 G N -0.515 108.305 108.800 0.033 0.000 2.705 454 G HA2 0.475 4.435 3.960 -0.001 0.000 0.299 454 G HA3 0.475 4.435 3.960 -0.001 0.000 0.299 454 G C 0.187 175.185 174.900 0.162 0.000 1.315 454 G CA -0.562 44.606 45.100 0.113 0.000 1.045 454 G HN 0.318 nan 8.290 nan 0.000 0.517 455 V N -0.068 120.028 119.914 0.305 0.000 3.621 455 V HA 0.547 4.666 4.120 -0.001 0.000 0.285 455 V C 0.851 177.037 176.094 0.152 0.000 1.346 455 V CA 1.134 63.537 62.300 0.171 0.000 1.104 455 V CB -0.682 31.171 31.823 0.049 0.000 0.913 455 V HN 1.143 nan 8.190 nan 0.000 0.432 456 A N -0.838 122.080 122.820 0.162 0.000 2.550 456 A HA 0.499 4.818 4.320 -0.001 0.000 0.295 456 A C 0.544 178.190 177.584 0.104 0.000 1.001 456 A CA -0.265 51.846 52.037 0.123 0.000 0.660 456 A CB 0.539 19.598 19.000 0.098 0.000 1.308 456 A HN -0.046 nan 8.150 nan 0.000 0.426 457 R N -0.026 120.515 120.500 0.068 0.000 2.112 457 R HA -0.249 4.091 4.340 -0.001 0.000 0.242 457 R C 1.619 177.931 176.300 0.019 0.000 1.137 457 R CA 2.862 58.983 56.100 0.035 0.000 0.944 457 R CB -0.588 29.726 30.300 0.022 0.000 0.857 457 R HN 0.839 nan 8.270 nan 0.000 0.435 458 I N -2.131 118.452 120.570 0.022 0.000 2.876 458 I HA -0.028 4.141 4.170 -0.001 0.000 0.264 458 I C 2.139 178.262 176.117 0.011 0.000 1.204 458 I CA 1.201 62.501 61.300 -0.001 0.000 1.485 458 I CB -0.968 37.027 38.000 -0.008 0.000 1.103 458 I HN 0.130 nan 8.210 nan 0.000 0.446 459 H N 1.957 121.010 119.070 -0.029 0.000 2.289 459 H HA -0.129 4.426 4.556 -0.001 0.000 0.296 459 H C 2.065 177.371 175.328 -0.036 0.000 1.091 459 H CA 2.223 58.251 56.048 -0.033 0.000 1.274 459 H CB -0.252 29.501 29.762 -0.014 0.000 1.364 459 H HN 0.335 nan 8.280 nan 0.000 0.490 460 S N -0.399 115.199 115.700 -0.169 0.000 2.522 460 S HA -0.051 4.419 4.470 -0.001 0.000 0.227 460 S C 1.810 176.327 174.600 -0.139 0.000 0.986 460 S CA 0.845 58.950 58.200 -0.158 0.000 0.929 460 S CB 0.090 63.270 63.200 -0.033 0.000 0.769 460 S HN 0.393 nan 8.310 nan 0.000 0.529 461 E N 1.993 122.117 120.200 -0.126 0.000 2.230 461 E HA 0.071 4.421 4.350 -0.001 0.000 0.192 461 E C 1.635 178.127 176.600 -0.179 0.000 0.987 461 E CA 0.397 56.714 56.400 -0.140 0.000 0.841 461 E CB -0.130 29.515 29.700 -0.091 0.000 0.783 461 E HN 0.727 nan 8.360 nan 0.000 0.481 462 I N -2.374 118.090 120.570 -0.176 0.000 3.883 462 I HA 0.161 4.331 4.170 -0.001 0.000 0.326 462 I C 1.067 177.037 176.117 -0.245 0.000 1.283 462 I CA 0.110 61.301 61.300 -0.182 0.000 1.161 462 I CB 0.109 38.034 38.000 -0.126 0.000 1.012 462 I HN -0.043 nan 8.210 nan 0.000 0.421 463 L N 0.694 121.739 121.223 -0.297 0.000 2.202 463 L HA 0.115 4.455 4.340 -0.001 0.000 0.205 463 L C 2.357 179.039 176.870 -0.313 0.000 1.083 463 L CA 0.736 55.386 54.840 -0.317 0.000 0.790 463 L CB -0.362 41.567 42.059 -0.217 0.000 0.942 463 L HN 0.186 nan 8.230 nan 0.000 0.452 464 K N 0.405 120.563 120.400 -0.404 0.000 2.155 464 K HA -0.109 4.211 4.320 -0.001 0.000 0.203 464 K C 1.694 177.883 176.600 -0.686 0.000 1.052 464 K CA 1.079 56.897 56.287 -0.782 0.000 0.948 464 K CB 0.156 32.143 32.500 -0.856 0.000 0.728 464 K HN 0.179 nan 8.250 nan 0.000 0.448 465 K N -0.526 119.637 120.400 -0.395 0.000 2.373 465 K HA 0.036 4.355 4.320 -0.001 0.000 0.200 465 K C 1.365 177.877 176.600 -0.146 0.000 1.054 465 K CA 0.717 56.857 56.287 -0.246 0.000 1.065 465 K CB 1.065 33.447 32.500 -0.195 0.000 0.886 465 K HN 0.206 nan 8.250 nan 0.000 0.546 466 T N -2.071 112.399 114.554 -0.141 0.000 3.409 466 T HA 0.070 4.420 4.350 -0.001 0.000 0.242 466 T C 1.640 176.300 174.700 -0.066 0.000 1.000 466 T CA -0.255 61.793 62.100 -0.087 0.000 1.180 466 T CB -0.210 68.607 68.868 -0.084 0.000 1.210 466 T HN -0.195 nan 8.240 nan 0.000 0.373 467 I N 1.637 122.130 120.570 -0.128 0.000 2.151 467 I HA 0.053 4.223 4.170 -0.001 0.000 0.243 467 I C 1.606 177.725 176.117 0.004 0.000 1.080 467 I CA 1.212 62.424 61.300 -0.146 0.000 1.339 467 I CB -1.653 36.126 38.000 -0.368 0.000 1.039 467 I HN 0.260 nan 8.210 nan 0.000 0.409 468 F N 0.682 120.705 119.950 0.123 0.000 2.654 468 F HA 0.290 4.817 4.527 -0.001 0.000 0.303 468 F C 1.884 177.784 175.800 0.165 0.000 1.099 468 F CA -1.021 57.159 58.000 0.300 0.000 1.270 468 F CB -0.837 38.362 39.000 0.331 0.000 1.024 468 F HN 0.047 nan 8.300 nan 0.000 0.548 469 K N 1.368 121.846 120.400 0.129 0.000 2.023 469 K HA -0.332 3.988 4.320 -0.001 0.000 0.227 469 K C 1.094 177.746 176.600 0.085 0.000 1.054 469 K CA 2.837 59.153 56.287 0.048 0.000 0.977 469 K CB -0.397 32.104 32.500 0.003 0.000 0.733 469 K HN 0.165 nan 8.250 nan 0.000 0.451 470 D N -0.550 119.836 120.400 -0.023 0.000 2.248 470 D HA -0.216 4.423 4.640 -0.001 0.000 0.191 470 D C 1.704 177.914 176.300 -0.151 0.000 1.013 470 D CA 2.180 56.067 54.000 -0.190 0.000 0.883 470 D CB -0.317 40.258 40.800 -0.375 0.000 0.915 470 D HN 0.282 nan 8.370 nan 0.000 0.448 471 F N -0.875 119.156 119.950 0.134 0.000 2.113 471 F HA -0.091 4.436 4.527 -0.001 0.000 0.297 471 F C 2.190 178.143 175.800 0.256 0.000 1.103 471 F CA 0.762 58.901 58.000 0.232 0.000 1.248 471 F CB -0.922 38.235 39.000 0.263 0.000 0.999 471 F HN 0.009 nan 8.300 nan 0.000 0.475 472 Y N 1.559 121.926 120.300 0.113 0.000 2.128 472 Y HA -0.268 4.281 4.550 -0.001 0.000 0.284 472 Y C 2.122 178.082 175.900 0.100 0.000 1.154 472 Y CA 1.976 60.037 58.100 -0.065 0.000 1.149 472 Y CB -0.799 37.409 38.460 -0.421 0.000 0.976 472 Y HN 0.182 nan 8.280 nan 0.000 0.505 473 E N -0.022 120.152 120.200 -0.044 0.000 2.209 473 E HA -0.199 4.150 4.350 -0.001 0.000 0.196 473 E C 2.175 178.870 176.600 0.158 0.000 0.993 473 E CA 1.105 57.492 56.400 -0.023 0.000 0.819 473 E CB -0.262 29.501 29.700 0.105 0.000 0.745 473 E HN 0.458 nan 8.360 nan 0.000 0.477 474 L N 0.630 121.995 121.223 0.236 0.000 2.209 474 L HA 0.024 4.364 4.340 -0.001 0.000 0.207 474 L C 0.082 177.006 176.870 0.090 0.000 1.094 474 L CA 1.522 56.500 54.840 0.229 0.000 0.790 474 L CB 0.176 42.417 42.059 0.303 0.000 0.932 474 L HN -0.007 nan 8.230 nan 0.000 0.447 475 E N -0.375 119.868 120.200 0.072 0.000 3.374 475 E HA 0.191 4.540 4.350 -0.001 0.000 0.223 475 E C -1.993 174.554 176.600 -0.088 0.000 1.210 475 E CA -1.395 54.920 56.400 -0.141 0.000 0.987 475 E CB 1.266 30.909 29.700 -0.095 0.000 1.322 475 E HN 0.155 nan 8.360 nan 0.000 0.404 476 P HA -0.238 nan 4.420 nan 0.000 0.215 476 P C 1.175 178.603 177.300 0.213 0.000 1.153 476 P CA 1.165 64.200 63.100 -0.108 0.000 0.853 476 P CB -0.015 31.527 31.700 -0.264 0.000 0.788 477 H N -0.359 118.809 119.070 0.164 0.000 2.518 477 H HA -0.063 4.493 4.556 -0.001 0.000 0.294 477 H C 1.466 176.882 175.328 0.146 0.000 1.083 477 H CA 1.071 57.209 56.048 0.149 0.000 1.264 477 H CB -0.523 29.299 29.762 0.101 0.000 1.370 477 H HN 0.179 nan 8.280 nan 0.000 0.560 478 K N 0.166 120.613 120.400 0.078 0.000 2.186 478 K HA 0.055 4.375 4.320 -0.001 0.000 0.202 478 K C -0.130 176.358 176.600 -0.188 0.000 1.052 478 K CA 0.118 56.364 56.287 -0.068 0.000 0.965 478 K CB 0.190 32.535 32.500 -0.257 0.000 0.746 478 K HN 0.058 nan 8.250 nan 0.000 0.457 479 F N 1.529 121.579 119.950 0.166 0.000 2.445 479 F HA 0.193 4.720 4.527 -0.001 0.000 0.359 479 F C 0.430 176.292 175.800 0.104 0.000 1.101 479 F CA -0.146 57.947 58.000 0.155 0.000 1.177 479 F CB 1.100 40.237 39.000 0.229 0.000 1.110 479 F HN -0.054 nan 8.300 nan 0.000 0.522 480 Q N 2.410 122.281 119.800 0.119 0.000 2.445 480 Q HA 0.422 4.761 4.340 -0.001 0.000 0.281 480 Q C -1.089 174.932 176.000 0.035 0.000 1.101 480 Q CA -0.936 54.897 55.803 0.049 0.000 0.833 480 Q CB 2.046 30.769 28.738 -0.025 0.000 1.416 480 Q HN 0.677 nan 8.270 nan 0.000 0.451 481 N N 0.806 119.500 118.700 -0.010 0.000 2.312 481 N HA 0.436 5.176 4.740 -0.001 0.000 0.296 481 N C -1.673 173.780 175.510 -0.094 0.000 1.193 481 N CA -0.418 52.620 53.050 -0.020 0.000 0.773 481 N CB 1.326 39.811 38.487 -0.004 0.000 1.435 481 N HN 0.399 nan 8.380 nan 0.000 0.484 482 K N 2.123 122.465 120.400 -0.097 0.000 2.793 482 K HA 0.153 4.472 4.320 -0.001 0.000 0.269 482 K C -1.210 175.363 176.600 -0.046 0.000 1.124 482 K CA -0.462 55.696 56.287 -0.216 0.000 1.074 482 K CB 1.021 33.182 32.500 -0.565 0.000 1.322 482 K HN 0.561 nan 8.250 nan 0.000 0.532 483 T N 2.410 116.966 114.554 0.003 0.000 2.867 483 T HA 0.072 4.421 4.350 -0.001 0.000 0.297 483 T C 0.682 175.479 174.700 0.163 0.000 0.989 483 T CA 0.055 62.222 62.100 0.112 0.000 1.159 483 T CB 0.116 69.075 68.868 0.151 0.000 0.928 483 T HN 0.223 nan 8.240 nan 0.000 0.538 484 N N 1.473 120.326 118.700 0.254 0.000 2.307 484 N HA 0.383 5.122 4.740 -0.001 0.000 0.230 484 N C 0.610 176.325 175.510 0.341 0.000 1.297 484 N CA 0.310 53.581 53.050 0.368 0.000 0.884 484 N CB 0.369 39.049 38.487 0.321 0.000 1.115 484 N HN 0.828 nan 8.380 nan 0.000 0.436 485 G N -0.718 108.325 108.800 0.404 0.000 2.816 485 G HA2 0.698 4.657 3.960 -0.001 0.000 0.288 485 G HA3 0.698 4.657 3.960 -0.001 0.000 0.288 485 G C -1.055 174.024 174.900 0.299 0.000 1.334 485 G CA -0.268 45.011 45.100 0.299 0.000 0.978 485 G HN 0.379 nan 8.290 nan 0.000 0.493 486 I N -0.622 120.093 120.570 0.243 0.000 2.693 486 I HA 0.528 4.697 4.170 -0.001 0.000 0.303 486 I C 0.444 176.722 176.117 0.270 0.000 1.025 486 I CA -0.503 60.945 61.300 0.245 0.000 1.086 486 I CB 2.489 40.575 38.000 0.144 0.000 1.268 486 I HN 0.403 nan 8.210 nan 0.000 0.440 487 T N 6.081 120.830 114.554 0.325 0.000 2.837 487 T HA 0.392 4.742 4.350 -0.001 0.000 0.285 487 T C -1.815 172.993 174.700 0.181 0.000 0.984 487 T CA -1.841 60.371 62.100 0.186 0.000 1.049 487 T CB 1.183 70.124 68.868 0.121 0.000 0.947 487 T HN 0.382 nan 8.240 nan 0.000 0.472 488 P HA 0.006 nan 4.420 nan 0.000 0.230 488 P C 0.980 178.300 177.300 0.033 0.000 1.158 488 P CA 0.484 63.635 63.100 0.085 0.000 0.769 488 P CB 0.420 32.142 31.700 0.036 0.000 0.807 489 R N 0.456 120.947 120.500 -0.015 0.000 2.072 489 R HA 0.047 4.387 4.340 -0.001 0.000 0.221 489 R C 2.650 178.906 176.300 -0.073 0.000 1.166 489 R CA 1.385 57.455 56.100 -0.050 0.000 0.917 489 R CB -1.548 28.738 30.300 -0.024 0.000 0.815 489 R HN 0.008 nan 8.270 nan 0.000 0.444 490 R N -0.554 119.829 120.500 -0.194 0.000 2.105 490 R HA -0.147 4.193 4.340 -0.001 0.000 0.239 490 R C 1.340 177.432 176.300 -0.346 0.000 1.135 490 R CA 1.796 57.652 56.100 -0.408 0.000 0.967 490 R CB -0.205 29.648 30.300 -0.745 0.000 0.861 490 R HN 0.355 nan 8.270 nan 0.000 0.442 491 W N -0.439 120.843 121.300 -0.030 0.000 3.290 491 W HA 0.189 4.848 4.660 -0.001 0.000 0.287 491 W C 1.521 178.033 176.519 -0.012 0.000 1.288 491 W CA -0.684 56.640 57.345 -0.035 0.000 1.725 491 W CB 0.416 29.856 29.460 -0.034 0.000 1.103 491 W HN 0.147 nan 8.180 nan 0.000 0.670 492 L N -1.830 119.513 121.223 0.199 0.000 3.327 492 L HA 0.034 4.374 4.340 -0.001 0.000 0.168 492 L C 2.105 179.039 176.870 0.106 0.000 1.196 492 L CA 0.232 55.164 54.840 0.152 0.000 0.848 492 L CB -0.876 41.283 42.059 0.166 0.000 1.459 492 L HN -0.331 nan 8.230 nan 0.000 0.574 493 V N 1.236 121.198 119.914 0.081 0.000 2.233 493 V HA -0.380 3.739 4.120 -0.001 0.000 0.252 493 V C 2.415 178.529 176.094 0.032 0.000 1.063 493 V CA 2.733 65.064 62.300 0.052 0.000 1.032 493 V CB -0.508 31.314 31.823 -0.001 0.000 0.645 493 V HN 0.489 nan 8.190 nan 0.000 0.446 494 L N -0.008 121.212 121.223 -0.004 0.000 2.131 494 L HA -0.090 4.250 4.340 -0.001 0.000 0.206 494 L C 2.358 179.204 176.870 -0.040 0.000 1.087 494 L CA 2.281 57.098 54.840 -0.038 0.000 0.767 494 L CB -0.335 41.664 42.059 -0.100 0.000 0.917 494 L HN 0.686 nan 8.230 nan 0.000 0.441 495 C N -2.296 116.991 119.300 -0.022 0.000 2.527 495 C HA 0.271 4.730 4.460 -0.001 0.000 0.280 495 C C 1.186 176.198 174.990 0.037 0.000 1.353 495 C CA -0.335 58.682 59.018 -0.002 0.000 1.749 495 C CB -1.011 26.754 27.740 0.042 0.000 2.088 495 C HN 0.552 nan 8.230 nan 0.000 0.508 496 N N 2.058 120.794 118.700 0.059 0.000 2.696 496 N HA 0.344 5.084 4.740 -0.001 0.000 0.246 496 N C -1.766 173.779 175.510 0.058 0.000 1.057 496 N CA -2.049 51.037 53.050 0.061 0.000 0.867 496 N CB 1.406 39.938 38.487 0.075 0.000 1.141 496 N HN 0.234 nan 8.380 nan 0.000 0.517 497 P HA 0.029 nan 4.420 nan 0.000 0.216 497 P C 1.408 178.734 177.300 0.043 0.000 1.156 497 P CA 0.768 63.895 63.100 0.045 0.000 0.855 497 P CB 0.200 31.918 31.700 0.030 0.000 0.786 498 G N 1.189 110.007 108.800 0.031 0.000 2.624 498 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.221 498 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.221 498 G C 1.527 176.438 174.900 0.018 0.000 1.169 498 G CA 1.164 46.275 45.100 0.018 0.000 0.771 498 G HN 0.335 nan 8.290 nan 0.000 0.598 499 L N 0.388 121.631 121.223 0.035 0.000 2.529 499 L HA 0.505 4.845 4.340 -0.001 0.000 0.223 499 L C 2.867 179.763 176.870 0.043 0.000 1.113 499 L CA 1.112 55.968 54.840 0.027 0.000 0.861 499 L CB 0.030 42.113 42.059 0.039 0.000 1.012 499 L HN 0.245 nan 8.230 nan 0.000 0.461 500 A N -0.561 122.315 122.820 0.093 0.000 1.930 500 A HA -0.129 4.191 4.320 -0.001 0.000 0.215 500 A C 2.080 179.769 177.584 0.175 0.000 1.176 500 A CA 1.236 53.391 52.037 0.197 0.000 0.632 500 A CB -0.271 18.855 19.000 0.211 0.000 0.819 500 A HN 0.486 nan 8.150 nan 0.000 0.445 501 E N 0.002 120.259 120.200 0.095 0.000 2.017 501 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 501 E C 2.064 178.687 176.600 0.039 0.000 0.997 501 E CA 1.543 57.983 56.400 0.067 0.000 0.804 501 E CB -0.418 29.302 29.700 0.033 0.000 0.757 501 E HN 0.813 nan 8.360 nan 0.000 0.448 502 I N -0.208 120.361 120.570 -0.003 0.000 2.394 502 I HA -0.194 3.976 4.170 -0.001 0.000 0.251 502 I C 2.130 178.260 176.117 0.022 0.000 1.136 502 I CA 1.237 62.521 61.300 -0.026 0.000 1.425 502 I CB -0.254 37.647 38.000 -0.165 0.000 1.079 502 I HN 0.071 nan 8.210 nan 0.000 0.425 503 I N 2.095 122.651 120.570 -0.023 0.000 2.226 503 I HA -0.251 3.919 4.170 -0.001 0.000 0.245 503 I C 2.994 179.028 176.117 -0.138 0.000 1.100 503 I CA 1.477 62.673 61.300 -0.173 0.000 1.374 503 I CB -0.561 37.123 38.000 -0.528 0.000 1.057 503 I HN 0.356 nan 8.210 nan 0.000 0.413 504 A N 0.058 122.907 122.820 0.048 0.000 1.930 504 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 504 A C 2.243 179.861 177.584 0.057 0.000 1.175 504 A CA 1.345 53.474 52.037 0.153 0.000 0.627 504 A CB -0.516 18.608 19.000 0.208 0.000 0.815 504 A HN 0.401 nan 8.150 nan 0.000 0.443 505 E N -0.801 119.419 120.200 0.032 0.000 2.085 505 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 505 E C 2.254 178.849 176.600 -0.008 0.000 0.994 505 E CA 1.180 57.591 56.400 0.018 0.000 0.801 505 E CB 0.026 29.734 29.700 0.014 0.000 0.743 505 E HN 0.358 nan 8.360 nan 0.000 0.453 506 R N 0.376 120.849 120.500 -0.045 0.000 2.056 506 R HA 0.029 4.369 4.340 -0.001 0.000 0.220 506 R C 2.346 178.532 176.300 -0.190 0.000 1.187 506 R CA 1.362 57.342 56.100 -0.200 0.000 0.932 506 R CB -0.726 29.391 30.300 -0.305 0.000 0.821 506 R HN 0.278 nan 8.270 nan 0.000 0.449 507 I N -2.222 118.246 120.570 -0.171 0.000 3.419 507 I HA 0.332 4.502 4.170 -0.001 0.000 0.286 507 I C 0.305 176.444 176.117 0.036 0.000 1.268 507 I CA 0.421 61.677 61.300 -0.073 0.000 1.414 507 I CB -0.546 37.396 38.000 -0.096 0.000 1.074 507 I HN 0.241 nan 8.210 nan 0.000 0.457 508 G N 2.909 111.750 108.800 0.070 0.000 3.137 508 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.686 508 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.686 508 G C -0.429 174.574 174.900 0.171 0.000 0.988 508 G CA -0.335 44.827 45.100 0.104 0.000 0.789 508 G HN 0.542 nan 8.290 nan 0.000 0.544 509 E N 1.407 121.699 120.200 0.154 0.000 2.585 509 E HA 0.351 4.700 4.350 -0.001 0.000 0.252 509 E C 1.032 177.639 176.600 0.012 0.000 0.981 509 E CA 0.878 57.301 56.400 0.038 0.000 0.943 509 E CB 0.460 30.136 29.700 -0.041 0.000 0.923 509 E HN 0.565 nan 8.360 nan 0.000 0.486 510 E N 2.857 123.040 120.200 -0.028 0.000 1.631 510 E HA -0.112 4.238 4.350 -0.001 0.000 0.211 510 E C 1.155 177.722 176.600 -0.055 0.000 1.030 510 E CA 0.590 56.978 56.400 -0.020 0.000 1.203 510 E CB -0.842 28.881 29.700 0.038 0.000 4.325 510 E HN 0.605 nan 8.360 nan 0.000 0.835 511 Y N 1.048 121.319 120.300 -0.048 0.000 2.242 511 Y HA 0.157 4.706 4.550 -0.001 0.000 0.291 511 Y C 2.050 177.898 175.900 -0.087 0.000 1.137 511 Y CA 1.149 59.215 58.100 -0.056 0.000 1.181 511 Y CB -0.944 37.490 38.460 -0.042 0.000 0.989 511 Y HN -0.100 nan 8.280 nan 0.000 0.527 512 I N 0.185 120.240 120.570 -0.858 0.000 2.730 512 I HA -0.281 3.888 4.170 -0.001 0.000 0.266 512 I C 2.058 177.916 176.117 -0.432 0.000 1.228 512 I CA 1.830 62.714 61.300 -0.694 0.000 1.445 512 I CB -0.329 37.092 38.000 -0.965 0.000 1.102 512 I HN 0.379 nan 8.210 nan 0.000 0.464 513 S N -0.584 114.939 115.700 -0.295 0.000 2.666 513 S HA 0.055 4.524 4.470 -0.001 0.000 0.239 513 S C -0.493 174.059 174.600 -0.080 0.000 1.031 513 S CA -0.301 57.799 58.200 -0.167 0.000 1.015 513 S CB 0.106 63.226 63.200 -0.134 0.000 0.981 513 S HN 0.522 nan 8.310 nan 0.000 0.547 514 D N 0.792 121.161 120.400 -0.053 0.000 2.351 514 D HA 0.167 4.806 4.640 -0.001 0.000 0.235 514 D C 0.449 176.756 176.300 0.013 0.000 1.331 514 D CA -0.555 53.432 54.000 -0.022 0.000 0.959 514 D CB -0.272 40.516 40.800 -0.020 0.000 1.432 514 D HN -0.068 nan 8.370 nan 0.000 0.544 515 L N 1.211 122.447 121.223 0.022 0.000 2.230 515 L HA -0.240 4.099 4.340 -0.001 0.000 0.217 515 L C 1.500 178.384 176.870 0.023 0.000 1.090 515 L CA 1.863 56.733 54.840 0.049 0.000 0.771 515 L CB -0.477 41.604 42.059 0.037 0.000 0.892 515 L HN 0.438 nan 8.230 nan 0.000 0.438 516 D N -1.136 119.260 120.400 -0.007 0.000 2.228 516 D HA -0.241 4.399 4.640 -0.001 0.000 0.203 516 D C 1.963 178.267 176.300 0.007 0.000 0.988 516 D CA 0.796 54.788 54.000 -0.012 0.000 0.864 516 D CB -0.127 40.658 40.800 -0.024 0.000 0.928 516 D HN 0.558 nan 8.370 nan 0.000 0.469 517 Q N -0.169 119.648 119.800 0.028 0.000 2.308 517 Q HA -0.151 4.189 4.340 -0.001 0.000 0.209 517 Q C 1.946 177.958 176.000 0.021 0.000 0.985 517 Q CA 0.478 56.306 55.803 0.042 0.000 0.881 517 Q CB -0.037 28.752 28.738 0.084 0.000 0.917 517 Q HN 0.239 nan 8.270 nan 0.000 0.443 518 L N 0.227 121.455 121.223 0.010 0.000 2.201 518 L HA -0.144 4.196 4.340 -0.001 0.000 0.212 518 L C 2.234 179.079 176.870 -0.041 0.000 1.105 518 L CA 1.449 56.259 54.840 -0.050 0.000 0.775 518 L CB -0.658 41.383 42.059 -0.028 0.000 0.913 518 L HN 0.102 nan 8.230 nan 0.000 0.440 519 R N -0.384 120.108 120.500 -0.014 0.000 2.105 519 R HA -0.180 4.160 4.340 -0.001 0.000 0.239 519 R C 2.220 178.516 176.300 -0.006 0.000 1.135 519 R CA 1.300 57.395 56.100 -0.009 0.000 0.967 519 R CB 0.009 30.306 30.300 -0.004 0.000 0.861 519 R HN 0.270 nan 8.270 nan 0.000 0.442 520 K N 0.179 120.580 120.400 0.003 0.000 2.113 520 K HA -0.198 4.122 4.320 -0.001 0.000 0.208 520 K C 1.823 178.468 176.600 0.076 0.000 1.047 520 K CA 1.344 57.655 56.287 0.039 0.000 0.928 520 K CB -0.316 32.211 32.500 0.046 0.000 0.716 520 K HN 0.137 nan 8.250 nan 0.000 0.446 521 L N 1.113 122.315 121.223 -0.036 0.000 2.556 521 L HA -0.133 4.206 4.340 -0.001 0.000 0.230 521 L C 1.589 178.432 176.870 -0.046 0.000 1.163 521 L CA 1.231 55.987 54.840 -0.140 0.000 0.819 521 L CB -0.189 41.725 42.059 -0.241 0.000 0.939 521 L HN 0.081 nan 8.230 nan 0.000 0.452 522 L N -1.187 120.041 121.223 0.008 0.000 2.477 522 L HA 0.074 4.414 4.340 -0.001 0.000 0.220 522 L C 2.380 179.239 176.870 -0.019 0.000 1.106 522 L CA 1.241 56.070 54.840 -0.018 0.000 0.851 522 L CB -0.310 41.736 42.059 -0.022 0.000 0.994 522 L HN 0.473 nan 8.230 nan 0.000 0.462 523 S N -1.998 113.688 115.700 -0.023 0.000 2.603 523 S HA -0.106 4.363 4.470 -0.001 0.000 0.229 523 S C 1.247 175.643 174.600 -0.341 0.000 0.972 523 S CA 0.464 58.559 58.200 -0.177 0.000 0.935 523 S CB -0.719 62.338 63.200 -0.238 0.000 0.769 523 S HN 0.481 nan 8.310 nan 0.000 0.536 524 Y N 0.271 120.469 120.300 -0.171 0.000 2.457 524 Y HA 0.356 4.905 4.550 -0.001 0.000 0.263 524 Y C 2.146 177.945 175.900 -0.168 0.000 1.164 524 Y CA -0.688 57.289 58.100 -0.204 0.000 1.274 524 Y CB -0.345 37.876 38.460 -0.398 0.000 1.097 524 Y HN 0.095 nan 8.280 nan 0.000 0.523 525 V N 0.681 120.574 119.914 -0.034 0.000 2.311 525 V HA -0.412 3.707 4.120 -0.001 0.000 0.259 525 V C 1.655 177.765 176.094 0.027 0.000 1.086 525 V CA 2.578 64.871 62.300 -0.012 0.000 1.078 525 V CB -0.156 31.651 31.823 -0.025 0.000 0.668 525 V HN 0.502 nan 8.190 nan 0.000 0.452 526 D N -1.278 119.132 120.400 0.016 0.000 2.354 526 D HA 0.004 4.643 4.640 -0.001 0.000 0.209 526 D C 0.678 177.016 176.300 0.064 0.000 1.015 526 D CA 0.120 54.140 54.000 0.032 0.000 0.867 526 D CB 0.022 40.825 40.800 0.006 0.000 0.933 526 D HN 0.515 nan 8.370 nan 0.000 0.520 527 D N 1.603 122.062 120.400 0.099 0.000 2.417 527 D HA -0.064 4.575 4.640 -0.001 0.000 0.250 527 D C 1.119 177.510 176.300 0.153 0.000 1.166 527 D CA 0.287 54.367 54.000 0.135 0.000 0.881 527 D CB 0.895 41.817 40.800 0.204 0.000 1.164 527 D HN -0.182 nan 8.370 nan 0.000 0.467 528 E N 2.725 122.986 120.200 0.102 0.000 2.427 528 E HA -0.045 4.305 4.350 -0.001 0.000 0.196 528 E C 1.271 177.917 176.600 0.075 0.000 1.028 528 E CA 0.338 56.787 56.400 0.083 0.000 0.864 528 E CB 0.258 29.989 29.700 0.052 0.000 0.813 528 E HN 0.609 nan 8.360 nan 0.000 0.514 529 A N 0.846 123.722 122.820 0.093 0.000 1.831 529 A HA -0.105 4.215 4.320 -0.001 0.000 0.213 529 A C 1.954 179.562 177.584 0.041 0.000 1.223 529 A CA 0.581 52.654 52.037 0.060 0.000 0.604 529 A CB -0.980 18.066 19.000 0.077 0.000 0.878 529 A HN 0.207 nan 8.150 nan 0.000 0.450 530 F N 0.771 120.745 119.950 0.040 0.000 2.063 530 F HA -0.307 4.219 4.527 -0.001 0.000 0.297 530 F C 2.156 177.975 175.800 0.032 0.000 1.099 530 F CA 2.183 60.202 58.000 0.031 0.000 1.220 530 F CB -0.346 38.687 39.000 0.056 0.000 0.972 530 F HN 0.210 nan 8.300 nan 0.000 0.487 531 I N 0.336 121.026 120.570 0.201 0.000 2.151 531 I HA -0.386 3.784 4.170 -0.001 0.000 0.243 531 I C 2.620 178.753 176.117 0.027 0.000 1.080 531 I CA 2.087 63.467 61.300 0.134 0.000 1.339 531 I CB -0.533 37.544 38.000 0.128 0.000 1.039 531 I HN 0.239 nan 8.210 nan 0.000 0.409 532 R N 0.333 120.827 120.500 -0.009 0.000 2.119 532 R HA -0.094 4.246 4.340 -0.001 0.000 0.222 532 R C 1.475 177.720 176.300 -0.091 0.000 1.088 532 R CA 1.213 57.293 56.100 -0.033 0.000 0.984 532 R CB -0.615 29.669 30.300 -0.026 0.000 0.884 532 R HN 0.300 nan 8.270 nan 0.000 0.447 533 D N 1.390 121.678 120.400 -0.187 0.000 2.104 533 D HA -0.114 4.525 4.640 -0.001 0.000 0.194 533 D C 2.120 178.255 176.300 -0.274 0.000 0.994 533 D CA 1.347 55.177 54.000 -0.283 0.000 0.830 533 D CB -0.122 40.380 40.800 -0.497 0.000 0.959 533 D HN 0.060 nan 8.370 nan 0.000 0.452 534 V N 1.456 121.185 119.914 -0.308 0.000 2.287 534 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 534 V C 2.450 178.540 176.094 -0.007 0.000 1.053 534 V CA 1.928 64.157 62.300 -0.118 0.000 1.027 534 V CB -0.636 31.211 31.823 0.039 0.000 0.646 534 V HN 0.199 nan 8.190 nan 0.000 0.447 535 A N -0.395 122.436 122.820 0.018 0.000 2.119 535 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 535 A C 2.144 179.732 177.584 0.006 0.000 1.153 535 A CA 1.759 53.825 52.037 0.048 0.000 0.692 535 A CB -0.346 18.686 19.000 0.054 0.000 0.799 535 A HN 0.529 nan 8.150 nan 0.000 0.458 536 K N -0.107 120.276 120.400 -0.029 0.000 2.031 536 K HA -0.021 4.299 4.320 -0.001 0.000 0.205 536 K C 1.627 178.215 176.600 -0.020 0.000 1.049 536 K CA 1.800 58.068 56.287 -0.033 0.000 0.939 536 K CB -0.588 31.880 32.500 -0.053 0.000 0.717 536 K HN 0.106 nan 8.250 nan 0.000 0.438 537 V N 1.419 121.318 119.914 -0.025 0.000 2.237 537 V HA -0.236 3.884 4.120 -0.001 0.000 0.245 537 V C 2.318 178.426 176.094 0.024 0.000 1.046 537 V CA 2.277 64.574 62.300 -0.005 0.000 1.007 537 V CB -0.589 31.226 31.823 -0.013 0.000 0.638 537 V HN 0.447 nan 8.190 nan 0.000 0.445 538 K N -0.038 120.386 120.400 0.041 0.000 2.360 538 K HA -0.226 4.093 4.320 -0.001 0.000 0.201 538 K C 2.083 178.703 176.600 0.033 0.000 1.046 538 K CA 1.631 57.956 56.287 0.064 0.000 0.940 538 K CB -0.230 32.335 32.500 0.108 0.000 0.748 538 K HN 0.559 nan 8.250 nan 0.000 0.465 539 Q N -0.343 119.462 119.800 0.008 0.000 2.165 539 Q HA -0.095 4.244 4.340 -0.001 0.000 0.197 539 Q C 1.648 177.647 176.000 -0.001 0.000 0.952 539 Q CA 0.994 56.783 55.803 -0.023 0.000 0.848 539 Q CB 0.070 28.789 28.738 -0.032 0.000 0.931 539 Q HN 0.380 nan 8.270 nan 0.000 0.470 540 E N 0.836 121.043 120.200 0.012 0.000 2.070 540 E HA -0.201 4.149 4.350 -0.001 0.000 0.197 540 E C 1.471 178.105 176.600 0.056 0.000 1.004 540 E CA 1.970 58.385 56.400 0.025 0.000 0.805 540 E CB 0.007 29.717 29.700 0.016 0.000 0.744 540 E HN 0.377 nan 8.360 nan 0.000 0.451 541 N N -0.658 118.082 118.700 0.067 0.000 2.216 541 N HA -0.101 4.638 4.740 -0.001 0.000 0.183 541 N C 1.577 177.186 175.510 0.165 0.000 1.017 541 N CA 0.881 53.996 53.050 0.109 0.000 0.861 541 N CB 0.036 38.585 38.487 0.103 0.000 0.986 541 N HN -0.001 nan 8.380 nan 0.000 0.428 542 K N 0.358 120.827 120.400 0.116 0.000 2.063 542 K HA -0.127 4.193 4.320 -0.001 0.000 0.208 542 K C 1.524 178.277 176.600 0.256 0.000 1.048 542 K CA 1.049 57.418 56.287 0.137 0.000 0.928 542 K CB -0.045 32.313 32.500 -0.236 0.000 0.713 542 K HN 0.057 nan 8.250 nan 0.000 0.442 543 L N 1.157 122.464 121.223 0.141 0.000 2.156 543 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 543 L C 1.871 178.842 176.870 0.169 0.000 1.095 543 L CA 1.577 56.504 54.840 0.146 0.000 0.770 543 L CB -0.280 41.826 42.059 0.079 0.000 0.914 543 L HN 0.031 nan 8.230 nan 0.000 0.439 544 K N -1.374 119.129 120.400 0.171 0.000 2.097 544 K HA -0.190 4.130 4.320 -0.001 0.000 0.206 544 K C 2.123 178.867 176.600 0.241 0.000 1.049 544 K CA 1.298 57.684 56.287 0.166 0.000 0.933 544 K CB -0.288 32.300 32.500 0.148 0.000 0.717 544 K HN 0.097 nan 8.250 nan 0.000 0.442 545 F N 1.633 121.685 119.950 0.170 0.000 2.084 545 F HA -0.096 4.431 4.527 -0.001 0.000 0.296 545 F C 2.260 178.186 175.800 0.211 0.000 1.111 545 F CA 1.158 59.270 58.000 0.186 0.000 1.224 545 F CB -0.680 38.450 39.000 0.217 0.000 0.991 545 F HN -0.038 nan 8.300 nan 0.000 0.471 546 A N -0.191 122.796 122.820 0.277 0.000 2.139 546 A HA -0.057 4.263 4.320 -0.001 0.000 0.221 546 A C 2.261 179.867 177.584 0.037 0.000 1.159 546 A CA 1.695 53.821 52.037 0.148 0.000 0.662 546 A CB -1.337 17.807 19.000 0.239 0.000 0.796 546 A HN 0.464 nan 8.150 nan 0.000 0.463 547 A N -1.307 121.537 122.820 0.038 0.000 1.844 547 A HA 0.058 4.377 4.320 -0.001 0.000 0.212 547 A C 2.074 179.624 177.584 -0.057 0.000 1.221 547 A CA 1.279 53.320 52.037 0.007 0.000 0.607 547 A CB -0.940 18.084 19.000 0.039 0.000 0.878 547 A HN 0.670 nan 8.150 nan 0.000 0.451 548 Y N -0.080 120.092 120.300 -0.214 0.000 2.207 548 Y HA -0.145 4.405 4.550 -0.001 0.000 0.287 548 Y C 1.722 177.388 175.900 -0.389 0.000 1.156 548 Y CA 1.724 59.643 58.100 -0.303 0.000 1.182 548 Y CB -0.180 38.080 38.460 -0.334 0.000 0.979 548 Y HN 0.202 nan 8.280 nan 0.000 0.521 549 L N 0.330 121.363 121.223 -0.318 0.000 2.610 549 L HA 0.019 4.358 4.340 -0.001 0.000 0.232 549 L C 1.322 178.112 176.870 -0.134 0.000 1.149 549 L CA 1.339 56.015 54.840 -0.273 0.000 0.872 549 L CB -0.371 41.442 42.059 -0.410 0.000 0.992 549 L HN 0.255 nan 8.230 nan 0.000 0.447 550 E N -1.853 118.260 120.200 -0.144 0.000 2.444 550 E HA 0.150 4.500 4.350 -0.001 0.000 0.209 550 E C 1.916 178.453 176.600 -0.106 0.000 0.806 550 E CA 0.211 56.565 56.400 -0.077 0.000 1.240 550 E CB 0.331 30.014 29.700 -0.028 0.000 1.238 550 E HN 0.257 nan 8.360 nan 0.000 0.591 551 R N -0.014 120.387 120.500 -0.165 0.000 2.237 551 R HA 0.186 4.526 4.340 -0.001 0.000 0.195 551 R C 0.153 176.323 176.300 -0.217 0.000 0.956 551 R CA 0.581 56.592 56.100 -0.149 0.000 1.029 551 R CB 0.410 30.637 30.300 -0.121 0.000 0.972 551 R HN -0.115 nan 8.270 nan 0.000 0.493 552 E N 0.207 120.162 120.200 -0.408 0.000 2.939 552 E HA 0.256 4.606 4.350 -0.001 0.000 0.215 552 E C -1.474 174.730 176.600 -0.660 0.000 1.025 552 E CA -0.224 55.856 56.400 -0.533 0.000 1.259 552 E CB 0.376 29.622 29.700 -0.756 0.000 1.228 552 E HN 0.043 nan 8.360 nan 0.000 0.443 553 Y N -1.086 119.057 120.300 -0.263 0.000 2.832 553 Y HA 0.100 4.649 4.550 -0.001 0.000 0.398 553 Y C -0.645 175.177 175.900 -0.129 0.000 1.183 553 Y CA -1.905 56.100 58.100 -0.157 0.000 1.676 553 Y CB -0.458 37.925 38.460 -0.128 0.000 1.514 553 Y HN 0.008 nan 8.280 nan 0.000 0.584 554 K N 0.679 121.128 120.400 0.082 0.000 2.378 554 K HA 1.029 5.349 4.320 -0.001 0.000 0.244 554 K C -0.984 175.643 176.600 0.045 0.000 1.039 554 K CA -0.534 55.774 56.287 0.035 0.000 0.863 554 K CB 2.429 34.946 32.500 0.028 0.000 1.326 554 K HN 0.562 nan 8.250 nan 0.000 0.460 555 V N -1.934 118.009 119.914 0.048 0.000 3.651 555 V HA 0.348 4.468 4.120 -0.001 0.000 0.318 555 V C -1.091 175.072 176.094 0.116 0.000 1.714 555 V CA -0.527 61.809 62.300 0.060 0.000 0.912 555 V CB 0.817 32.659 31.823 0.033 0.000 0.972 555 V HN 1.092 nan 8.190 nan 0.000 0.482 556 H N 0.114 119.194 119.070 0.017 0.000 2.514 556 H HA 0.521 5.077 4.556 -0.001 0.000 0.226 556 H C -1.489 173.864 175.328 0.042 0.000 1.421 556 H CA -0.603 55.462 56.048 0.029 0.000 1.394 556 H CB 0.769 30.548 29.762 0.028 0.000 1.701 556 H HN 0.497 nan 8.280 nan 0.000 0.515 557 I N 2.553 123.177 120.570 0.091 0.000 2.634 557 I HA -0.024 4.146 4.170 -0.001 0.000 0.284 557 I C 0.422 176.578 176.117 0.064 0.000 1.124 557 I CA -0.018 61.313 61.300 0.052 0.000 1.417 557 I CB 0.807 38.873 38.000 0.111 0.000 1.396 557 I HN 0.556 nan 8.210 nan 0.000 0.571 558 N N 8.482 127.196 118.700 0.024 0.000 2.469 558 N HA 0.313 5.052 4.740 -0.001 0.000 0.239 558 N C -2.230 173.350 175.510 0.117 0.000 1.053 558 N CA -2.073 50.988 53.050 0.019 0.000 0.937 558 N CB 1.111 39.567 38.487 -0.051 0.000 1.163 558 N HN 0.247 nan 8.380 nan 0.000 0.509 559 P HA 0.128 nan 4.420 nan 0.000 0.242 559 P C 0.087 177.329 177.300 -0.096 0.000 1.197 559 P CA 0.674 63.789 63.100 0.026 0.000 0.765 559 P CB 0.304 32.043 31.700 0.064 0.000 0.936 560 N N -1.159 117.516 118.700 -0.042 0.000 2.409 560 N HA -0.019 4.721 4.740 -0.001 0.000 0.174 560 N C 0.505 175.987 175.510 -0.047 0.000 1.037 560 N CA 0.036 53.048 53.050 -0.062 0.000 0.898 560 N CB 0.012 38.485 38.487 -0.022 0.000 1.010 560 N HN 0.079 nan 8.380 nan 0.000 0.445 561 S N 0.586 116.287 115.700 0.002 0.000 2.576 561 S HA 0.064 4.534 4.470 -0.001 0.000 0.272 561 S C 0.370 174.995 174.600 0.041 0.000 1.352 561 S CA -0.607 57.626 58.200 0.055 0.000 1.021 561 S CB 0.422 63.672 63.200 0.084 0.000 0.887 561 S HN 0.137 nan 8.310 nan 0.000 0.542 562 L N 2.133 123.349 121.223 -0.012 0.000 2.667 562 L HA 0.007 4.347 4.340 -0.001 0.000 0.278 562 L C -0.329 176.572 176.870 0.051 0.000 1.217 562 L CA 0.235 54.901 54.840 -0.290 0.000 0.935 562 L CB -0.368 41.405 42.059 -0.476 0.000 1.193 562 L HN 0.644 nan 8.230 nan 0.000 0.493 563 F N 2.860 122.696 119.950 -0.190 0.000 2.368 563 F HA 0.182 4.708 4.527 -0.001 0.000 0.362 563 F C 0.541 176.249 175.800 -0.154 0.000 1.137 563 F CA -1.144 56.790 58.000 -0.111 0.000 1.161 563 F CB 0.220 39.190 39.000 -0.050 0.000 1.265 563 F HN 0.357 nan 8.300 nan 0.000 0.530 564 D N 3.163 123.539 120.400 -0.040 0.000 2.295 564 D HA 0.412 5.051 4.640 -0.001 0.000 0.248 564 D C -0.542 175.673 176.300 -0.142 0.000 1.154 564 D CA 0.320 54.246 54.000 -0.122 0.000 0.857 564 D CB 1.426 42.161 40.800 -0.108 0.000 1.117 564 D HN 0.232 nan 8.370 nan 0.000 0.468 565 V N 0.907 120.709 119.914 -0.187 0.000 2.841 565 V HA 0.634 4.754 4.120 -0.001 0.000 0.310 565 V C -0.830 175.142 176.094 -0.203 0.000 1.090 565 V CA -0.980 61.226 62.300 -0.157 0.000 0.930 565 V CB 1.986 33.786 31.823 -0.038 0.000 1.014 565 V HN 0.436 nan 8.190 nan 0.000 0.425 566 Q N 3.039 122.762 119.800 -0.129 0.000 2.309 566 Q HA 0.678 5.018 4.340 -0.001 0.000 0.254 566 Q C -1.776 174.139 176.000 -0.141 0.000 0.938 566 Q CA -0.647 55.083 55.803 -0.122 0.000 0.789 566 Q CB 2.375 31.039 28.738 -0.122 0.000 1.313 566 Q HN 1.326 nan 8.270 nan 0.000 0.438 567 V N 1.275 121.096 119.914 -0.155 0.000 2.357 567 V HA 0.712 4.832 4.120 -0.001 0.000 0.281 567 V C -0.798 175.020 176.094 -0.460 0.000 1.015 567 V CA -0.631 61.408 62.300 -0.435 0.000 0.827 567 V CB 1.033 32.551 31.823 -0.508 0.000 1.018 567 V HN 0.611 nan 8.190 nan 0.000 0.432 568 K N 2.448 122.635 120.400 -0.355 0.000 2.495 568 K HA 0.530 4.850 4.320 -0.001 0.000 0.268 568 K C -0.781 175.740 176.600 -0.132 0.000 1.008 568 K CA -0.989 55.171 56.287 -0.211 0.000 0.882 568 K CB 3.266 35.659 32.500 -0.177 0.000 1.443 568 K HN 0.806 nan 8.250 nan 0.000 0.447 569 R N 1.884 122.352 120.500 -0.053 0.000 2.537 569 R HA 0.122 4.461 4.340 -0.001 0.000 0.280 569 R C -0.079 176.240 176.300 0.032 0.000 1.058 569 R CA -0.026 56.094 56.100 0.033 0.000 1.057 569 R CB 0.103 30.470 30.300 0.111 0.000 0.973 569 R HN 0.515 nan 8.270 nan 0.000 0.438 570 I N 5.872 126.480 120.570 0.064 0.000 2.270 570 I HA 0.027 4.196 4.170 -0.001 0.000 0.294 570 I C 0.022 176.176 176.117 0.062 0.000 1.164 570 I CA 0.016 61.331 61.300 0.024 0.000 1.680 570 I CB -0.759 37.252 38.000 0.018 0.000 1.494 570 I HN 0.431 nan 8.210 nan 0.000 0.767 571 H N 4.052 123.112 119.070 -0.017 0.000 2.489 571 H HA 0.230 4.785 4.556 -0.001 0.000 0.343 571 H C 0.789 176.098 175.328 -0.033 0.000 1.086 571 H CA -0.772 55.357 56.048 0.135 0.000 1.198 571 H CB 1.285 31.228 29.762 0.302 0.000 1.490 571 H HN 0.388 nan 8.280 nan 0.000 0.504 572 E N 2.677 123.198 120.200 0.534 0.000 2.277 572 E HA -0.337 4.013 4.350 -0.001 0.000 0.216 572 E C 0.782 177.192 176.600 -0.317 0.000 1.068 572 E CA 2.310 58.838 56.400 0.213 0.000 0.866 572 E CB -0.254 29.724 29.700 0.463 0.000 0.749 572 E HN 0.721 nan 8.360 nan 0.000 0.465 573 Y N -0.754 119.015 120.300 -0.886 0.000 2.529 573 Y HA 0.159 4.708 4.550 -0.001 0.000 0.290 573 Y C 1.071 176.546 175.900 -0.709 0.000 1.177 573 Y CA 0.186 57.431 58.100 -1.425 0.000 1.305 573 Y CB 0.420 37.942 38.460 -1.564 0.000 1.047 573 Y HN -0.222 nan 8.280 nan 0.000 0.522 574 K N 0.932 120.714 120.400 -1.029 0.000 2.404 574 K HA 0.118 4.437 4.320 -0.001 0.000 0.194 574 K C 0.444 176.797 176.600 -0.413 0.000 1.023 574 K CA 0.141 55.973 56.287 -0.760 0.000 1.094 574 K CB 0.046 32.186 32.500 -0.601 0.000 0.841 574 K HN 0.318 nan 8.250 nan 0.000 0.523 575 R N 1.113 121.412 120.500 -0.335 0.000 3.932 575 R HA -0.200 4.140 4.340 -0.001 0.000 0.318 575 R C 1.442 177.661 176.300 -0.136 0.000 1.219 575 R CA 1.143 57.128 56.100 -0.192 0.000 0.889 575 R CB -1.653 28.538 30.300 -0.182 0.000 1.309 575 R HN 0.412 nan 8.270 nan 0.000 0.537 576 Q N 0.152 119.873 119.800 -0.131 0.000 2.248 576 Q HA -0.217 4.123 4.340 -0.001 0.000 0.208 576 Q C 1.765 177.737 176.000 -0.047 0.000 0.984 576 Q CA 1.670 57.424 55.803 -0.081 0.000 0.875 576 Q CB -0.223 28.474 28.738 -0.068 0.000 0.910 576 Q HN 0.611 nan 8.270 nan 0.000 0.433 577 L N 0.264 121.456 121.223 -0.050 0.000 2.012 577 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 577 L C 2.438 179.322 176.870 0.023 0.000 1.073 577 L CA 0.995 55.820 54.840 -0.026 0.000 0.748 577 L CB -0.344 41.706 42.059 -0.014 0.000 0.891 577 L HN 0.260 nan 8.230 nan 0.000 0.431 578 L N 0.483 121.726 121.223 0.034 0.000 1.955 578 L HA -0.324 4.016 4.340 -0.001 0.000 0.213 578 L C 2.293 179.279 176.870 0.192 0.000 1.072 578 L CA 2.315 57.218 54.840 0.104 0.000 0.755 578 L CB -1.318 40.738 42.059 -0.004 0.000 0.888 578 L HN 0.372 nan 8.230 nan 0.000 0.432 579 N N -0.708 118.069 118.700 0.129 0.000 2.133 579 N HA -0.283 4.457 4.740 -0.001 0.000 0.193 579 N C 1.781 177.397 175.510 0.177 0.000 1.012 579 N CA 2.218 55.412 53.050 0.239 0.000 0.871 579 N CB -0.264 38.280 38.487 0.094 0.000 1.011 579 N HN 0.597 nan 8.380 nan 0.000 0.435 580 C N 0.669 120.004 119.300 0.059 0.000 2.446 580 C HA 0.005 4.464 4.460 -0.001 0.000 0.277 580 C C 2.880 177.865 174.990 -0.009 0.000 1.275 580 C CA 0.059 59.056 59.018 -0.036 0.000 1.727 580 C CB -1.246 26.426 27.740 -0.114 0.000 2.010 580 C HN 0.472 nan 8.230 nan 0.000 0.486 581 L N 0.136 121.407 121.223 0.081 0.000 2.042 581 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 581 L C 2.796 179.771 176.870 0.176 0.000 1.076 581 L CA 1.953 56.854 54.840 0.101 0.000 0.749 581 L CB -1.169 40.946 42.059 0.093 0.000 0.893 581 L HN 0.599 nan 8.230 nan 0.000 0.432 582 H N 0.355 119.552 119.070 0.210 0.000 2.293 582 H HA -0.153 4.402 4.556 -0.001 0.000 0.300 582 H C 2.254 177.584 175.328 0.002 0.000 1.082 582 H CA 2.278 58.384 56.048 0.096 0.000 1.308 582 H CB 0.132 29.920 29.762 0.043 0.000 1.375 582 H HN 0.086 nan 8.280 nan 0.000 0.495 583 V N 1.875 121.579 119.914 -0.350 0.000 2.278 583 V HA -0.317 3.802 4.120 -0.001 0.000 0.251 583 V C 2.945 178.898 176.094 -0.234 0.000 1.062 583 V CA 2.170 64.281 62.300 -0.315 0.000 1.038 583 V CB -0.651 31.060 31.823 -0.185 0.000 0.646 583 V HN 0.415 nan 8.190 nan 0.000 0.447 584 I N -0.301 120.179 120.570 -0.150 0.000 2.286 584 I HA -0.221 3.948 4.170 -0.001 0.000 0.248 584 I C 2.557 178.721 176.117 0.078 0.000 1.115 584 I CA 1.740 63.040 61.300 0.001 0.000 1.392 584 I CB -0.878 37.126 38.000 0.007 0.000 1.065 584 I HN 0.329 nan 8.210 nan 0.000 0.418 585 T N 1.990 116.535 114.554 -0.015 0.000 2.653 585 T HA -0.150 4.199 4.350 -0.001 0.000 0.268 585 T C 1.807 176.473 174.700 -0.056 0.000 1.035 585 T CA 1.376 63.474 62.100 -0.002 0.000 1.154 585 T CB -0.175 68.700 68.868 0.012 0.000 0.862 585 T HN 0.134 nan 8.240 nan 0.000 0.441 586 L N 0.062 121.193 121.223 -0.152 0.000 2.217 586 L HA 0.067 4.407 4.340 -0.001 0.000 0.211 586 L C 2.101 178.964 176.870 -0.010 0.000 1.107 586 L CA 1.304 56.080 54.840 -0.105 0.000 0.783 586 L CB -1.954 40.019 42.059 -0.144 0.000 0.919 586 L HN 0.339 nan 8.230 nan 0.000 0.442 587 Y N 1.831 122.092 120.300 -0.065 0.000 2.163 587 Y HA -0.207 4.342 4.550 -0.001 0.000 0.288 587 Y C 2.478 178.401 175.900 0.038 0.000 1.136 587 Y CA 1.503 59.605 58.100 0.004 0.000 1.147 587 Y CB -0.370 38.127 38.460 0.061 0.000 0.987 587 Y HN 0.149 nan 8.280 nan 0.000 0.509 588 N N 0.455 119.096 118.700 -0.098 0.000 2.091 588 N HA -0.203 4.537 4.740 -0.001 0.000 0.193 588 N C 1.847 177.245 175.510 -0.186 0.000 1.021 588 N CA 1.709 54.652 53.050 -0.178 0.000 0.862 588 N CB -0.271 38.218 38.487 0.004 0.000 1.018 588 N HN 0.315 nan 8.380 nan 0.000 0.429 589 R N 0.497 120.926 120.500 -0.118 0.000 2.064 589 R HA 0.171 4.511 4.340 -0.001 0.000 0.228 589 R C 1.672 177.899 176.300 -0.121 0.000 1.144 589 R CA 0.676 56.714 56.100 -0.103 0.000 0.932 589 R CB -0.515 29.736 30.300 -0.080 0.000 0.833 589 R HN 0.221 nan 8.270 nan 0.000 0.429 590 I N 1.517 122.017 120.570 -0.116 0.000 3.384 590 I HA -0.189 3.980 4.170 -0.001 0.000 0.310 590 I C 0.926 176.947 176.117 -0.161 0.000 1.279 590 I CA 0.877 62.117 61.300 -0.100 0.000 1.283 590 I CB -0.129 37.848 38.000 -0.039 0.000 1.011 590 I HN 0.096 nan 8.210 nan 0.000 0.566 591 K N 0.016 120.271 120.400 -0.242 0.000 2.474 591 K HA 0.112 4.431 4.320 -0.001 0.000 0.204 591 K C 1.721 178.234 176.600 -0.145 0.000 1.220 591 K CA 0.197 56.352 56.287 -0.220 0.000 0.966 591 K CB 0.333 32.626 32.500 -0.345 0.000 1.049 591 K HN 0.166 nan 8.250 nan 0.000 0.554 592 K N 1.294 121.616 120.400 -0.130 0.000 2.021 592 K HA -0.024 4.295 4.320 -0.001 0.000 0.205 592 K C -0.033 176.528 176.600 -0.066 0.000 1.047 592 K CA 1.192 57.423 56.287 -0.093 0.000 0.943 592 K CB 0.299 32.747 32.500 -0.086 0.000 0.725 592 K HN -0.183 nan 8.250 nan 0.000 0.439 593 E N 0.672 120.836 120.200 -0.060 0.000 2.282 593 E HA 0.131 4.481 4.350 -0.001 0.000 0.247 593 E C -2.196 174.383 176.600 -0.035 0.000 1.113 593 E CA -1.987 54.389 56.400 -0.040 0.000 1.095 593 E CB 1.400 31.080 29.700 -0.033 0.000 1.328 593 E HN 0.189 nan 8.360 nan 0.000 0.463 594 P HA -0.088 nan 4.420 nan 0.000 0.220 594 P C -0.469 176.829 177.300 -0.003 0.000 1.148 594 P CA 0.892 63.977 63.100 -0.023 0.000 0.803 594 P CB 0.352 32.041 31.700 -0.018 0.000 0.782 595 N N 1.022 119.725 118.700 0.005 0.000 2.949 595 N HA 0.153 4.893 4.740 -0.001 0.000 0.243 595 N C -0.173 175.357 175.510 0.034 0.000 1.113 595 N CA 0.029 53.094 53.050 0.025 0.000 0.980 595 N CB 0.882 39.381 38.487 0.019 0.000 1.256 595 N HN 0.150 nan 8.380 nan 0.000 0.508 596 K N 1.432 121.861 120.400 0.049 0.000 2.557 596 K HA 0.218 4.537 4.320 -0.001 0.000 0.261 596 K C -1.631 175.035 176.600 0.109 0.000 0.932 596 K CA -0.604 55.721 56.287 0.064 0.000 0.829 596 K CB 1.704 34.215 32.500 0.018 0.000 1.358 596 K HN -0.005 nan 8.250 nan 0.000 0.430 597 F N 4.045 123.984 119.950 -0.019 0.000 2.462 597 F HA 0.238 4.764 4.527 -0.001 0.000 0.360 597 F C -0.447 175.341 175.800 -0.019 0.000 1.134 597 F CA -0.219 57.770 58.000 -0.019 0.000 1.148 597 F CB 0.603 39.591 39.000 -0.020 0.000 1.147 597 F HN 0.117 nan 8.300 nan 0.000 0.550 598 V N 7.264 126.736 119.914 -0.736 0.000 2.394 598 V HA 0.187 4.307 4.120 -0.001 0.000 0.282 598 V C -0.144 175.281 176.094 -1.115 0.000 1.031 598 V CA -0.628 61.270 62.300 -0.671 0.000 0.881 598 V CB 1.743 33.367 31.823 -0.331 0.000 0.982 598 V HN 0.441 nan 8.190 nan 0.000 0.451 599 V N 9.123 128.647 119.914 -0.649 0.000 1.984 599 V HA 0.133 4.253 4.120 -0.001 0.000 0.272 599 V C -1.640 174.340 176.094 -0.190 0.000 1.706 599 V CA -1.203 60.844 62.300 -0.422 0.000 1.644 599 V CB -0.596 31.136 31.823 -0.152 0.000 1.509 599 V HN 0.771 nan 8.190 nan 0.000 0.511 600 P HA 0.101 nan 4.420 nan 0.000 0.266 600 P C -0.232 177.037 177.300 -0.052 0.000 1.193 600 P CA 0.292 63.321 63.100 -0.117 0.000 0.770 600 P CB 1.041 32.698 31.700 -0.072 0.000 0.836 601 R N 0.451 120.918 120.500 -0.055 0.000 2.888 601 R HA 0.728 5.067 4.340 -0.001 0.000 0.266 601 R C -0.442 175.858 176.300 -0.001 0.000 1.020 601 R CA -0.773 55.305 56.100 -0.037 0.000 0.963 601 R CB 1.762 32.016 30.300 -0.078 0.000 1.197 601 R HN 0.326 nan 8.270 nan 0.000 0.481 602 T N 0.941 115.522 114.554 0.045 0.000 2.879 602 T HA 0.354 4.703 4.350 -0.001 0.000 0.290 602 T C -1.294 173.388 174.700 -0.031 0.000 0.993 602 T CA -0.487 61.629 62.100 0.026 0.000 0.975 602 T CB 1.632 70.576 68.868 0.127 0.000 0.981 602 T HN 0.116 nan 8.240 nan 0.000 0.439 603 V N 5.554 125.427 119.914 -0.067 0.000 2.378 603 V HA 0.562 4.681 4.120 -0.001 0.000 0.288 603 V C -0.527 175.513 176.094 -0.091 0.000 1.016 603 V CA -0.474 61.779 62.300 -0.079 0.000 0.840 603 V CB 1.343 33.121 31.823 -0.076 0.000 0.994 603 V HN 0.851 nan 8.190 nan 0.000 0.431 604 M N 6.803 126.339 119.600 -0.108 0.000 2.259 604 M HA 0.649 5.128 4.480 -0.001 0.000 0.304 604 M C -1.255 174.971 176.300 -0.123 0.000 1.019 604 M CA -0.204 55.028 55.300 -0.114 0.000 0.922 604 M CB 2.198 34.715 32.600 -0.138 0.000 1.600 604 M HN 0.418 nan 8.290 nan 0.000 0.433 605 I N 1.312 121.798 120.570 -0.139 0.000 2.689 605 I HA 0.985 5.154 4.170 -0.001 0.000 0.299 605 I C 0.124 175.939 176.117 -0.505 0.000 1.059 605 I CA -0.658 60.543 61.300 -0.165 0.000 1.055 605 I CB 2.453 40.468 38.000 0.024 0.000 1.243 605 I HN 0.746 nan 8.210 nan 0.000 0.425 606 G N 1.852 110.384 108.800 -0.448 0.000 2.673 606 G HA2 0.778 4.737 3.960 -0.001 0.000 0.292 606 G HA3 0.778 4.737 3.960 -0.001 0.000 0.292 606 G C -1.108 173.590 174.900 -0.337 0.000 1.450 606 G CA -0.339 44.386 45.100 -0.626 0.000 0.837 606 G HN 1.083 nan 8.290 nan 0.000 0.505 607 G N -0.508 108.242 108.800 -0.082 0.000 2.350 607 G HA2 0.437 4.396 3.960 -0.001 0.000 0.304 607 G HA3 0.437 4.396 3.960 -0.001 0.000 0.304 607 G C -1.446 173.558 174.900 0.174 0.000 1.421 607 G CA -0.998 44.093 45.100 -0.015 0.000 0.934 607 G HN 0.581 nan 8.290 nan 0.000 0.632 608 K N 0.239 120.726 120.400 0.144 0.000 2.110 608 K HA 0.638 4.958 4.320 -0.001 0.000 0.263 608 K C 1.434 178.155 176.600 0.202 0.000 0.975 608 K CA -0.059 56.335 56.287 0.177 0.000 0.895 608 K CB 2.021 34.542 32.500 0.035 0.000 1.060 608 K HN 0.686 nan 8.250 nan 0.000 0.448 609 A N 2.631 125.585 122.820 0.224 0.000 1.859 609 A HA -0.015 4.304 4.320 -0.001 0.000 0.218 609 A C 0.398 178.140 177.584 0.262 0.000 1.209 609 A CA 1.924 54.068 52.037 0.179 0.000 0.639 609 A CB -0.660 18.425 19.000 0.142 0.000 0.835 609 A HN 1.076 nan 8.150 nan 0.000 0.450 610 A N -3.055 119.940 122.820 0.292 0.000 2.421 610 A HA 0.328 4.648 4.320 -0.001 0.000 0.682 610 A C -2.984 174.684 177.584 0.140 0.000 0.138 610 A CA -0.265 51.910 52.037 0.229 0.000 0.048 610 A CB -1.908 17.187 19.000 0.159 0.000 3.950 610 A HN 0.375 nan 8.150 nan 0.000 0.546 611 P HA 0.401 nan 4.420 nan 0.000 0.259 611 P C 1.028 178.313 177.300 -0.024 0.000 1.211 611 P CA 2.049 65.080 63.100 -0.114 0.000 0.810 611 P CB 0.160 31.636 31.700 -0.374 0.000 0.815 612 G N 2.721 111.545 108.800 0.039 0.000 2.255 612 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.239 612 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.239 612 G C -0.563 174.418 174.900 0.136 0.000 1.083 612 G CA -0.630 44.520 45.100 0.084 0.000 0.826 612 G HN 0.536 nan 8.290 nan 0.000 0.493 613 Y N 1.957 122.248 120.300 -0.014 0.000 2.595 613 Y HA 0.374 4.923 4.550 -0.001 0.000 0.347 613 Y C 1.408 177.312 175.900 0.007 0.000 1.025 613 Y CA -1.045 57.032 58.100 -0.038 0.000 1.295 613 Y CB -0.322 38.094 38.460 -0.073 0.000 1.147 613 Y HN 0.488 nan 8.280 nan 0.000 0.515 614 H N 4.586 123.789 119.070 0.220 0.000 2.496 614 H HA -0.162 4.394 4.556 -0.001 0.000 0.296 614 H C 1.059 176.402 175.328 0.025 0.000 1.107 614 H CA 1.718 57.828 56.048 0.103 0.000 1.263 614 H CB 0.608 30.421 29.762 0.086 0.000 1.369 614 H HN 0.560 nan 8.280 nan 0.000 0.541 615 M N -0.177 119.245 119.600 -0.296 0.000 2.216 615 M HA -0.009 4.470 4.480 -0.001 0.000 0.264 615 M C 2.847 178.831 176.300 -0.527 0.000 1.080 615 M CA 1.031 56.066 55.300 -0.442 0.000 1.153 615 M CB -1.074 31.321 32.600 -0.342 0.000 1.356 615 M HN 0.313 nan 8.290 nan 0.000 0.432 616 A N 1.125 123.434 122.820 -0.852 0.000 1.859 616 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 616 A C 2.190 179.612 177.584 -0.270 0.000 1.198 616 A CA 1.959 53.642 52.037 -0.589 0.000 0.629 616 A CB -0.733 17.910 19.000 -0.594 0.000 0.830 616 A HN 0.473 nan 8.150 nan 0.000 0.446 617 K N -1.599 118.706 120.400 -0.157 0.000 2.113 617 K HA -0.211 4.109 4.320 -0.001 0.000 0.208 617 K C 2.008 178.585 176.600 -0.037 0.000 1.047 617 K CA 1.720 57.988 56.287 -0.031 0.000 0.928 617 K CB -0.336 32.209 32.500 0.074 0.000 0.716 617 K HN 0.454 nan 8.250 nan 0.000 0.446 618 M N 1.215 120.731 119.600 -0.139 0.000 2.099 618 M HA -0.072 4.408 4.480 -0.001 0.000 0.262 618 M C 1.900 178.150 176.300 -0.085 0.000 1.067 618 M CA 1.342 56.581 55.300 -0.103 0.000 1.124 618 M CB -0.200 32.232 32.600 -0.281 0.000 1.353 618 M HN 0.060 nan 8.290 nan 0.000 0.410 619 I N -0.359 120.123 120.570 -0.147 0.000 2.127 619 I HA -0.356 3.814 4.170 -0.001 0.000 0.241 619 I C 2.048 178.045 176.117 -0.201 0.000 1.075 619 I CA 1.537 62.752 61.300 -0.142 0.000 1.334 619 I CB -0.455 37.443 38.000 -0.169 0.000 1.040 619 I HN 0.259 nan 8.210 nan 0.000 0.405 620 I N 0.476 120.870 120.570 -0.293 0.000 2.399 620 I HA -0.300 3.869 4.170 -0.001 0.000 0.254 620 I C 2.424 178.289 176.117 -0.421 0.000 1.146 620 I CA 1.016 62.020 61.300 -0.493 0.000 1.412 620 I CB -0.503 37.156 38.000 -0.569 0.000 1.076 620 I HN 0.191 nan 8.210 nan 0.000 0.432 621 K N 1.657 121.841 120.400 -0.361 0.000 2.155 621 K HA -0.090 4.229 4.320 -0.001 0.000 0.203 621 K C 1.926 178.433 176.600 -0.155 0.000 1.052 621 K CA 1.283 57.286 56.287 -0.472 0.000 0.948 621 K CB -0.464 31.484 32.500 -0.920 0.000 0.728 621 K HN 0.326 nan 8.250 nan 0.000 0.448 622 L N 0.022 121.254 121.223 0.015 0.000 1.988 622 L HA -0.079 4.260 4.340 -0.001 0.000 0.207 622 L C 2.131 178.864 176.870 -0.229 0.000 1.071 622 L CA 1.359 56.155 54.840 -0.072 0.000 0.744 622 L CB -0.282 41.627 42.059 -0.250 0.000 0.893 622 L HN 0.134 nan 8.230 nan 0.000 0.433 623 I N 0.049 120.484 120.570 -0.227 0.000 2.118 623 I HA -0.379 3.791 4.170 -0.001 0.000 0.241 623 I C 2.599 178.605 176.117 -0.184 0.000 1.070 623 I CA 2.139 63.320 61.300 -0.198 0.000 1.327 623 I CB -0.864 37.065 38.000 -0.118 0.000 1.034 623 I HN 0.500 nan 8.210 nan 0.000 0.405 624 T N -0.564 113.865 114.554 -0.210 0.000 2.803 624 T HA -0.154 4.195 4.350 -0.001 0.000 0.269 624 T C 1.916 176.531 174.700 -0.141 0.000 1.052 624 T CA 1.111 63.119 62.100 -0.154 0.000 1.136 624 T CB -0.583 68.173 68.868 -0.186 0.000 0.864 624 T HN 0.411 nan 8.240 nan 0.000 0.467 625 A N 1.389 124.120 122.820 -0.148 0.000 1.897 625 A HA 0.183 4.502 4.320 -0.001 0.000 0.215 625 A C 2.366 179.856 177.584 -0.156 0.000 1.181 625 A CA 0.937 52.915 52.037 -0.098 0.000 0.620 625 A CB -0.793 18.225 19.000 0.029 0.000 0.821 625 A HN 0.534 nan 8.150 nan 0.000 0.443 626 I N -0.158 120.220 120.570 -0.320 0.000 2.087 626 I HA -0.319 3.850 4.170 -0.001 0.000 0.240 626 I C 2.769 178.687 176.117 -0.332 0.000 1.054 626 I CA 1.433 62.417 61.300 -0.526 0.000 1.311 626 I CB -0.848 36.792 38.000 -0.600 0.000 1.024 626 I HN 0.420 nan 8.210 nan 0.000 0.402 627 G N 0.785 109.432 108.800 -0.255 0.000 2.631 627 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.219 627 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.219 627 G C 1.067 175.849 174.900 -0.197 0.000 1.214 627 G CA 1.678 46.653 45.100 -0.208 0.000 0.785 627 G HN 0.398 nan 8.290 nan 0.000 0.596 628 D N -0.221 120.117 120.400 -0.103 0.000 2.271 628 D HA -0.058 4.582 4.640 -0.001 0.000 0.207 628 D C 2.431 178.774 176.300 0.072 0.000 0.983 628 D CA 0.626 54.663 54.000 0.061 0.000 0.878 628 D CB -0.193 40.671 40.800 0.107 0.000 0.920 628 D HN 0.268 nan 8.370 nan 0.000 0.479 629 V N 0.079 119.952 119.914 -0.068 0.000 2.261 629 V HA -0.154 3.965 4.120 -0.001 0.000 0.235 629 V C 2.367 178.366 176.094 -0.159 0.000 1.044 629 V CA 1.398 63.628 62.300 -0.116 0.000 1.007 629 V CB -0.528 31.178 31.823 -0.196 0.000 0.647 629 V HN 0.182 nan 8.190 nan 0.000 0.462 630 V N 0.980 120.689 119.914 -0.342 0.000 2.407 630 V HA -0.197 3.923 4.120 -0.001 0.000 0.248 630 V C 1.826 177.826 176.094 -0.158 0.000 1.055 630 V CA 2.368 64.476 62.300 -0.321 0.000 1.049 630 V CB -0.899 30.605 31.823 -0.533 0.000 0.662 630 V HN 0.719 nan 8.190 nan 0.000 0.455 631 N N -0.321 118.244 118.700 -0.226 0.000 2.567 631 N HA -0.040 4.700 4.740 -0.001 0.000 0.195 631 N C 0.840 176.129 175.510 -0.369 0.000 1.242 631 N CA 1.194 54.080 53.050 -0.274 0.000 0.884 631 N CB -0.309 37.964 38.487 -0.358 0.000 1.007 631 N HN 0.796 nan 8.380 nan 0.000 0.450 632 H N -1.764 117.301 119.070 -0.008 0.000 3.643 632 H HA 0.060 4.615 4.556 -0.001 0.000 0.256 632 H C -0.344 175.007 175.328 0.038 0.000 1.107 632 H CA -0.571 55.485 56.048 0.014 0.000 1.175 632 H CB 0.765 30.527 29.762 0.001 0.000 1.519 632 H HN 0.074 nan 8.280 nan 0.000 0.565 633 D N 2.263 122.752 120.400 0.149 0.000 2.383 633 D HA 0.016 4.656 4.640 -0.001 0.000 0.252 633 D C -1.846 174.534 176.300 0.133 0.000 1.166 633 D CA -1.754 52.339 54.000 0.156 0.000 0.879 633 D CB 1.377 42.309 40.800 0.219 0.000 1.164 633 D HN 0.033 nan 8.370 nan 0.000 0.462 634 P HA -0.029 nan 4.420 nan 0.000 0.242 634 P C 0.701 178.050 177.300 0.081 0.000 1.197 634 P CA 0.227 63.382 63.100 0.091 0.000 0.765 634 P CB 0.368 32.114 31.700 0.076 0.000 0.936 635 V N -1.426 118.543 119.914 0.091 0.000 2.403 635 V HA -0.110 4.010 4.120 -0.001 0.000 0.239 635 V C 2.308 178.443 176.094 0.068 0.000 1.041 635 V CA 1.061 63.401 62.300 0.065 0.000 1.051 635 V CB -1.025 30.827 31.823 0.048 0.000 0.704 635 V HN -0.089 nan 8.190 nan 0.000 0.472 636 V N 0.903 120.878 119.914 0.103 0.000 2.282 636 V HA -0.200 3.919 4.120 -0.001 0.000 0.249 636 V C 2.454 178.588 176.094 0.067 0.000 1.057 636 V CA 2.453 64.816 62.300 0.106 0.000 1.032 636 V CB -1.509 30.442 31.823 0.213 0.000 0.645 636 V HN 0.740 nan 8.190 nan 0.000 0.447 637 G N 1.035 109.876 108.800 0.068 0.000 4.248 637 G HA2 -0.479 3.481 3.960 -0.001 0.000 0.339 637 G HA3 -0.479 3.481 3.960 -0.001 0.000 0.339 637 G C 0.594 175.503 174.900 0.015 0.000 1.818 637 G CA 1.573 46.705 45.100 0.054 0.000 1.889 637 G HN 0.902 nan 8.290 nan 0.000 0.876 638 D N -1.398 119.003 120.400 0.002 0.000 2.881 638 D HA 0.305 4.944 4.640 -0.001 0.000 0.325 638 D C 1.245 177.527 176.300 -0.031 0.000 1.621 638 D CA -0.111 53.863 54.000 -0.043 0.000 0.785 638 D CB -0.533 40.239 40.800 -0.046 0.000 1.233 638 D HN 0.539 nan 8.370 nan 0.000 0.447 639 R N -0.489 119.998 120.500 -0.023 0.000 2.282 639 R HA 0.531 4.871 4.340 -0.001 0.000 0.195 639 R C 0.161 176.431 176.300 -0.050 0.000 0.909 639 R CA 0.099 56.175 56.100 -0.039 0.000 1.039 639 R CB 1.202 31.488 30.300 -0.023 0.000 1.015 639 R HN 0.122 nan 8.270 nan 0.000 0.513 640 L N 0.043 121.245 121.223 -0.035 0.000 2.622 640 L HA 0.518 4.857 4.340 -0.001 0.000 0.258 640 L C -1.561 175.275 176.870 -0.056 0.000 0.996 640 L CA -0.998 53.816 54.840 -0.044 0.000 0.858 640 L CB 2.116 44.158 42.059 -0.028 0.000 1.449 640 L HN -0.105 nan 8.230 nan 0.000 0.411 641 R N 1.680 122.139 120.500 -0.069 0.000 2.643 641 R HA 0.650 4.990 4.340 -0.001 0.000 0.269 641 R C -1.947 174.296 176.300 -0.095 0.000 1.037 641 R CA -0.686 55.361 56.100 -0.087 0.000 0.894 641 R CB 2.345 32.600 30.300 -0.076 0.000 1.238 641 R HN 0.320 nan 8.270 nan 0.000 0.459 642 V N 4.640 124.486 119.914 -0.114 0.000 2.444 642 V HA 0.524 4.644 4.120 -0.001 0.000 0.294 642 V C -0.475 175.570 176.094 -0.082 0.000 1.022 642 V CA -0.672 61.563 62.300 -0.108 0.000 0.850 642 V CB 1.889 33.624 31.823 -0.146 0.000 0.992 642 V HN 0.453 nan 8.190 nan 0.000 0.426 643 I N 4.851 125.386 120.570 -0.058 0.000 2.498 643 I HA 0.361 4.530 4.170 -0.001 0.000 0.290 643 I C -0.535 175.574 176.117 -0.013 0.000 1.032 643 I CA -0.770 60.511 61.300 -0.032 0.000 1.073 643 I CB 1.772 39.755 38.000 -0.029 0.000 1.251 643 I HN 0.542 nan 8.210 nan 0.000 0.426 644 F N 6.700 126.603 119.950 -0.077 0.000 2.468 644 F HA 0.303 4.829 4.527 -0.001 0.000 0.356 644 F C 0.306 176.085 175.800 -0.036 0.000 1.167 644 F CA -0.346 57.614 58.000 -0.068 0.000 1.135 644 F CB 0.245 39.194 39.000 -0.085 0.000 1.197 644 F HN 0.298 nan 8.300 nan 0.000 0.569 645 L N 6.060 126.905 121.223 -0.630 0.000 2.654 645 L HA 0.008 4.348 4.340 -0.001 0.000 0.271 645 L C 0.728 177.369 176.870 -0.382 0.000 1.169 645 L CA 0.423 55.069 54.840 -0.324 0.000 0.947 645 L CB 0.056 42.050 42.059 -0.108 0.000 1.232 645 L HN 0.610 nan 8.230 nan 0.000 0.486 646 E N 3.857 123.918 120.200 -0.232 0.000 2.349 646 E HA -0.034 4.316 4.350 -0.001 0.000 0.265 646 E C 0.472 177.125 176.600 0.088 0.000 1.064 646 E CA -0.591 55.739 56.400 -0.117 0.000 0.886 646 E CB 0.719 30.235 29.700 -0.307 0.000 1.036 646 E HN 0.545 nan 8.360 nan 0.000 0.413 647 N N 2.631 121.418 118.700 0.144 0.000 2.698 647 N HA -0.306 4.433 4.740 -0.001 0.000 0.258 647 N C -1.371 174.237 175.510 0.163 0.000 0.978 647 N CA 0.566 53.716 53.050 0.166 0.000 0.777 647 N CB -1.598 36.990 38.487 0.169 0.000 0.907 647 N HN 0.461 nan 8.380 nan 0.000 0.543 648 Y N 1.275 121.602 120.300 0.045 0.000 2.802 648 Y HA -0.040 4.510 4.550 -0.001 0.000 0.333 648 Y C 1.349 177.279 175.900 0.051 0.000 1.244 648 Y CA 0.899 59.017 58.100 0.030 0.000 1.558 648 Y CB 0.247 38.702 38.460 -0.009 0.000 1.233 648 Y HN 0.417 nan 8.280 nan 0.000 0.547 649 R N 2.485 122.806 120.500 -0.298 0.000 3.041 649 R HA 0.518 4.857 4.340 -0.001 0.000 0.254 649 R C -0.512 175.540 176.300 -0.413 0.000 1.244 649 R CA -0.641 55.343 56.100 -0.192 0.000 1.023 649 R CB 0.420 30.667 30.300 -0.088 0.000 1.332 649 R HN 0.393 nan 8.270 nan 0.000 0.463 650 V N 1.160 120.838 119.914 -0.392 0.000 2.488 650 V HA -0.159 3.961 4.120 -0.001 0.000 0.246 650 V C 2.233 178.167 176.094 -0.266 0.000 1.046 650 V CA 2.432 64.532 62.300 -0.332 0.000 1.053 650 V CB -0.170 31.430 31.823 -0.372 0.000 0.679 650 V HN 0.899 nan 8.190 nan 0.000 0.458 651 S N -1.055 114.498 115.700 -0.246 0.000 2.595 651 S HA -0.027 4.443 4.470 -0.001 0.000 0.235 651 S C 1.697 176.166 174.600 -0.219 0.000 0.974 651 S CA 1.071 59.147 58.200 -0.207 0.000 0.942 651 S CB -0.131 62.979 63.200 -0.151 0.000 0.766 651 S HN 0.535 nan 8.310 nan 0.000 0.536 652 L N -0.079 120.982 121.223 -0.270 0.000 2.349 652 L HA 0.317 4.657 4.340 -0.001 0.000 0.200 652 L C 2.781 179.496 176.870 -0.259 0.000 1.064 652 L CA 0.849 55.524 54.840 -0.276 0.000 0.821 652 L CB -0.762 41.147 42.059 -0.249 0.000 1.027 652 L HN 0.385 nan 8.230 nan 0.000 0.476 653 A N 0.424 123.033 122.820 -0.351 0.000 1.869 653 A HA -0.336 3.984 4.320 -0.001 0.000 0.218 653 A C 1.900 179.504 177.584 0.034 0.000 1.203 653 A CA 2.372 54.319 52.037 -0.151 0.000 0.638 653 A CB -0.886 18.090 19.000 -0.040 0.000 0.831 653 A HN 0.535 nan 8.150 nan 0.000 0.450 654 E N -0.670 119.618 120.200 0.147 0.000 2.136 654 E HA -0.291 4.058 4.350 -0.001 0.000 0.202 654 E C 2.007 178.600 176.600 -0.013 0.000 1.019 654 E CA 2.001 58.443 56.400 0.071 0.000 0.819 654 E CB -0.124 29.484 29.700 -0.153 0.000 0.739 654 E HN 0.534 nan 8.360 nan 0.000 0.458 655 K N 0.115 120.463 120.400 -0.086 0.000 2.004 655 K HA -0.063 4.256 4.320 -0.001 0.000 0.217 655 K C 1.834 178.351 176.600 -0.137 0.000 1.026 655 K CA 0.761 57.011 56.287 -0.061 0.000 0.979 655 K CB -1.106 31.309 32.500 -0.141 0.000 0.818 655 K HN -0.017 nan 8.250 nan 0.000 0.447 656 V N 1.645 121.308 119.914 -0.419 0.000 2.285 656 V HA -0.375 3.744 4.120 -0.001 0.000 0.260 656 V C 2.001 177.872 176.094 -0.372 0.000 1.089 656 V CA 2.270 64.044 62.300 -0.876 0.000 1.082 656 V CB -0.438 30.967 31.823 -0.697 0.000 0.681 656 V HN 0.448 nan 8.190 nan 0.000 0.452 657 I N -0.049 120.399 120.570 -0.204 0.000 2.087 657 I HA -0.205 3.964 4.170 -0.001 0.000 0.240 657 I C -0.126 175.987 176.117 -0.006 0.000 1.054 657 I CA 2.546 63.752 61.300 -0.156 0.000 1.311 657 I CB -1.536 36.261 38.000 -0.338 0.000 1.024 657 I HN 0.428 nan 8.210 nan 0.000 0.402 658 P HA 0.018 nan 4.420 nan 0.000 0.236 658 P C 0.941 178.302 177.300 0.101 0.000 1.177 658 P CA 0.794 63.936 63.100 0.070 0.000 0.773 658 P CB 0.085 31.826 31.700 0.068 0.000 0.878 659 A N -0.571 122.298 122.820 0.081 0.000 2.206 659 A HA 0.356 4.676 4.320 -0.001 0.000 0.211 659 A C 1.256 179.045 177.584 0.340 0.000 1.158 659 A CA 0.469 52.632 52.037 0.209 0.000 0.761 659 A CB -0.854 18.295 19.000 0.248 0.000 0.801 659 A HN 0.234 nan 8.150 nan 0.000 0.473 660 A N -0.466 122.494 122.820 0.234 0.000 2.303 660 A HA 0.525 4.845 4.320 -0.001 0.000 0.317 660 A C 0.327 178.043 177.584 0.219 0.000 1.149 660 A CA -0.343 51.854 52.037 0.266 0.000 0.822 660 A CB 0.599 19.702 19.000 0.172 0.000 1.131 660 A HN 0.257 nan 8.150 nan 0.000 0.493 661 D N 0.138 120.646 120.400 0.180 0.000 2.290 661 D HA 0.067 4.706 4.640 -0.001 0.000 0.224 661 D C 0.162 176.532 176.300 0.117 0.000 0.967 661 D CA 0.726 54.837 54.000 0.184 0.000 0.893 661 D CB 0.238 40.978 40.800 -0.098 0.000 1.037 661 D HN 0.331 nan 8.370 nan 0.000 0.477 662 L N 1.565 122.742 121.223 -0.077 0.000 2.346 662 L HA 0.273 4.612 4.340 -0.001 0.000 0.276 662 L C -0.660 175.982 176.870 -0.380 0.000 1.006 662 L CA -0.279 54.447 54.840 -0.189 0.000 0.817 662 L CB 1.938 43.858 42.059 -0.232 0.000 1.272 662 L HN -0.145 nan 8.230 nan 0.000 0.421 663 S N 3.925 119.312 115.700 -0.522 0.000 2.466 663 S HA 0.299 4.768 4.470 -0.001 0.000 0.313 663 S C -0.177 174.141 174.600 -0.470 0.000 1.078 663 S CA -0.746 56.945 58.200 -0.849 0.000 1.115 663 S CB 0.339 62.746 63.200 -1.322 0.000 1.006 663 S HN 0.601 nan 8.310 nan 0.000 0.487 664 E N 2.881 122.866 120.200 -0.358 0.000 2.614 664 E HA -0.022 4.328 4.350 -0.001 0.000 0.245 664 E C -0.169 176.327 176.600 -0.174 0.000 1.039 664 E CA 0.370 56.648 56.400 -0.203 0.000 0.948 664 E CB 0.371 29.977 29.700 -0.156 0.000 0.937 664 E HN 0.702 nan 8.360 nan 0.000 0.498 665 Q N 2.271 122.010 119.800 -0.103 0.000 2.462 665 Q HA 0.192 4.532 4.340 -0.001 0.000 0.395 665 Q C -0.342 175.637 176.000 -0.035 0.000 0.911 665 Q CA -0.193 55.574 55.803 -0.061 0.000 1.112 665 Q CB -0.165 28.559 28.738 -0.023 0.000 1.350 665 Q HN 0.472 nan 8.270 nan 0.000 0.407 666 I N -2.531 117.994 120.570 -0.075 0.000 3.282 666 I HA 0.437 4.606 4.170 -0.001 0.000 0.335 666 I C 0.084 176.102 176.117 -0.164 0.000 1.325 666 I CA -0.319 60.942 61.300 -0.066 0.000 1.156 666 I CB 0.651 38.600 38.000 -0.085 0.000 1.644 666 I HN -0.125 nan 8.210 nan 0.000 0.493 667 S N 1.131 116.717 115.700 -0.191 0.000 2.603 667 S HA 0.313 4.782 4.470 -0.001 0.000 0.268 667 S C 0.635 175.127 174.600 -0.181 0.000 1.317 667 S CA -0.332 57.719 58.200 -0.247 0.000 1.012 667 S CB 0.535 63.583 63.200 -0.254 0.000 0.926 667 S HN 0.593 nan 8.310 nan 0.000 0.539 668 T N 3.281 117.748 114.554 -0.145 0.000 2.934 668 T HA 0.256 4.605 4.350 -0.001 0.000 0.306 668 T C 0.484 175.157 174.700 -0.045 0.000 1.042 668 T CA -0.218 61.845 62.100 -0.061 0.000 1.145 668 T CB 0.262 69.182 68.868 0.087 0.000 0.982 668 T HN 0.733 nan 8.240 nan 0.000 0.544 669 A N 2.578 125.347 122.820 -0.084 0.000 2.531 669 A HA 0.488 4.807 4.320 -0.001 0.000 0.236 669 A C 1.623 179.190 177.584 -0.030 0.000 1.062 669 A CA 0.163 52.154 52.037 -0.077 0.000 0.760 669 A CB -0.744 18.196 19.000 -0.099 0.000 0.995 669 A HN 1.747 nan 8.150 nan 0.000 0.501 670 G N 1.221 110.008 108.800 -0.022 0.000 2.143 670 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.248 670 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.248 670 G C 0.701 175.612 174.900 0.018 0.000 0.991 670 G CA 1.489 46.586 45.100 -0.005 0.000 0.689 670 G HN 1.959 nan 8.290 nan 0.000 0.522 671 T N -3.131 111.447 114.554 0.039 0.000 3.018 671 T HA 0.345 4.695 4.350 -0.001 0.000 0.246 671 T C 0.618 175.340 174.700 0.037 0.000 1.026 671 T CA 0.445 62.572 62.100 0.044 0.000 1.081 671 T CB 0.552 69.495 68.868 0.125 0.000 0.970 671 T HN 0.297 nan 8.240 nan 0.000 0.475 672 E N 1.497 121.734 120.200 0.063 0.000 2.259 672 E HA 0.514 4.864 4.350 -0.001 0.000 0.281 672 E C 1.020 177.619 176.600 -0.001 0.000 1.037 672 E CA 0.072 56.499 56.400 0.045 0.000 0.854 672 E CB 1.659 31.378 29.700 0.032 0.000 1.051 672 E HN 0.392 nan 8.360 nan 0.000 0.409 673 A N 3.294 126.073 122.820 -0.067 0.000 1.841 673 A HA -0.165 4.154 4.320 -0.001 0.000 0.214 673 A C 1.817 179.340 177.584 -0.102 0.000 1.195 673 A CA 2.291 54.202 52.037 -0.209 0.000 0.611 673 A CB -0.009 18.634 19.000 -0.595 0.000 0.835 673 A HN 0.636 nan 8.150 nan 0.000 0.443 674 S N -3.636 112.020 115.700 -0.073 0.000 5.328 674 S HA 0.472 4.942 4.470 -0.001 0.000 0.141 674 S C 0.581 175.177 174.600 -0.006 0.000 1.049 674 S CA 1.377 59.570 58.200 -0.012 0.000 1.374 674 S CB 0.003 63.218 63.200 0.025 0.000 2.027 674 S HN 2.345 nan 8.310 nan 0.000 0.659 675 G N -0.070 108.732 108.800 0.003 0.000 2.907 675 G HA2 0.127 4.087 3.960 -0.001 0.000 0.686 675 G HA3 0.127 4.087 3.960 -0.001 0.000 0.686 675 G C -0.000 174.903 174.900 0.005 0.000 1.115 675 G CA 0.163 45.261 45.100 -0.003 0.000 0.760 675 G HN 0.793 nan 8.290 nan 0.000 0.620 676 T N 0.959 115.508 114.554 -0.009 0.000 3.177 676 T HA 0.279 4.629 4.350 -0.001 0.000 0.262 676 T C 2.545 177.181 174.700 -0.105 0.000 0.959 676 T CA 1.548 63.632 62.100 -0.026 0.000 0.996 676 T CB -0.277 68.594 68.868 0.004 0.000 1.185 676 T HN 1.636 nan 8.240 nan 0.000 0.486 677 G N 2.647 111.384 108.800 -0.106 0.000 2.547 677 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.221 677 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.221 677 G C 1.470 176.344 174.900 -0.042 0.000 1.140 677 G CA 1.548 46.555 45.100 -0.155 0.000 0.760 677 G HN 0.394 nan 8.290 nan 0.000 0.583 678 N N 0.808 119.534 118.700 0.044 0.000 2.096 678 N HA -0.224 4.516 4.740 -0.001 0.000 0.198 678 N C 2.228 177.764 175.510 0.044 0.000 1.017 678 N CA 2.193 55.282 53.050 0.065 0.000 0.889 678 N CB -0.611 37.872 38.487 -0.005 0.000 1.081 678 N HN 0.424 nan 8.380 nan 0.000 0.549 679 M N 0.169 119.751 119.600 -0.030 0.000 2.476 679 M HA -0.002 4.478 4.480 -0.001 0.000 0.262 679 M C 1.548 177.822 176.300 -0.044 0.000 1.079 679 M CA 0.972 56.270 55.300 -0.004 0.000 1.104 679 M CB -0.063 32.579 32.600 0.070 0.000 1.409 679 M HN 0.104 nan 8.290 nan 0.000 0.467 680 K N -0.010 120.259 120.400 -0.219 0.000 2.155 680 K HA -0.013 4.307 4.320 -0.001 0.000 0.203 680 K C 1.494 177.963 176.600 -0.219 0.000 1.052 680 K CA 1.038 57.103 56.287 -0.370 0.000 0.948 680 K CB -0.046 31.939 32.500 -0.859 0.000 0.728 680 K HN 0.153 nan 8.250 nan 0.000 0.448 681 F N 0.890 120.763 119.950 -0.128 0.000 2.293 681 F HA 0.035 4.561 4.527 -0.001 0.000 0.297 681 F C 2.303 178.066 175.800 -0.060 0.000 1.089 681 F CA 0.902 58.848 58.000 -0.091 0.000 1.377 681 F CB -0.182 38.757 39.000 -0.101 0.000 1.051 681 F HN -0.052 nan 8.300 nan 0.000 0.511 682 M N -0.703 118.976 119.600 0.131 0.000 2.156 682 M HA -0.088 4.391 4.480 -0.001 0.000 0.264 682 M C 1.526 177.876 176.300 0.084 0.000 1.067 682 M CA 1.314 56.664 55.300 0.084 0.000 1.131 682 M CB -0.199 32.462 32.600 0.101 0.000 1.368 682 M HN 0.032 nan 8.290 nan 0.000 0.416 683 L N 0.846 122.120 121.223 0.086 0.000 2.798 683 L HA -0.048 4.291 4.340 -0.001 0.000 0.254 683 L C 0.382 177.300 176.870 0.079 0.000 1.176 683 L CA 0.354 55.246 54.840 0.088 0.000 0.991 683 L CB -0.554 41.568 42.059 0.104 0.000 1.225 683 L HN 0.417 nan 8.230 nan 0.000 0.420 684 N N -0.359 118.389 118.700 0.079 0.000 2.162 684 N HA 0.062 4.801 4.740 -0.001 0.000 0.232 684 N C 0.466 176.036 175.510 0.100 0.000 1.361 684 N CA 0.670 53.772 53.050 0.087 0.000 0.786 684 N CB 1.416 39.951 38.487 0.081 0.000 1.290 684 N HN 0.198 nan 8.380 nan 0.000 0.505 685 G N 1.419 110.264 108.800 0.075 0.000 2.401 685 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.283 685 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.283 685 G C -0.339 174.614 174.900 0.089 0.000 1.117 685 G CA 0.149 45.285 45.100 0.060 0.000 1.051 685 G HN 0.505 nan 8.290 nan 0.000 0.510 686 A N 0.937 123.777 122.820 0.033 0.000 2.393 686 A HA 0.836 5.156 4.320 -0.001 0.000 0.306 686 A C -0.079 177.430 177.584 -0.126 0.000 1.050 686 A CA -0.682 51.367 52.037 0.019 0.000 0.724 686 A CB 1.404 20.456 19.000 0.087 0.000 1.248 686 A HN 0.805 nan 8.150 nan 0.000 0.424 687 L N 2.224 123.349 121.223 -0.163 0.000 2.292 687 L HA 0.364 4.704 4.340 -0.001 0.000 0.284 687 L C 0.074 176.806 176.870 -0.229 0.000 1.065 687 L CA -0.456 54.253 54.840 -0.218 0.000 0.806 687 L CB 1.706 43.685 42.059 -0.134 0.000 1.175 687 L HN 0.809 nan 8.230 nan 0.000 0.431 688 T N 4.200 118.514 114.554 -0.401 0.000 2.727 688 T HA 0.302 4.652 4.350 -0.001 0.000 0.295 688 T C 0.052 174.642 174.700 -0.183 0.000 0.915 688 T CA -0.109 61.750 62.100 -0.401 0.000 1.066 688 T CB 0.820 69.292 68.868 -0.659 0.000 0.891 688 T HN 0.366 nan 8.240 nan 0.000 0.516 689 I N 2.657 123.170 120.570 -0.095 0.000 2.385 689 I HA 0.678 4.847 4.170 -0.001 0.000 0.294 689 I C 0.264 176.486 176.117 0.175 0.000 0.988 689 I CA 0.142 61.464 61.300 0.036 0.000 1.265 689 I CB 0.697 38.606 38.000 -0.151 0.000 1.388 689 I HN 0.827 nan 8.210 nan 0.000 0.480 690 G N 3.992 113.051 108.800 0.431 0.000 2.378 690 G HA2 0.198 4.158 3.960 -0.001 0.000 0.302 690 G HA3 0.198 4.158 3.960 -0.001 0.000 0.302 690 G C -0.714 174.292 174.900 0.178 0.000 1.669 690 G CA -0.403 44.931 45.100 0.389 0.000 0.920 690 G HN 0.772 nan 8.290 nan 0.000 0.697 691 T N -0.620 113.844 114.554 -0.151 0.000 2.855 691 T HA 0.309 4.659 4.350 -0.001 0.000 0.322 691 T C 1.167 175.793 174.700 -0.124 0.000 1.088 691 T CA -0.019 61.887 62.100 -0.323 0.000 1.104 691 T CB 0.769 69.387 68.868 -0.417 0.000 0.996 691 T HN 0.799 nan 8.240 nan 0.000 0.549 692 M N 2.593 122.120 119.600 -0.122 0.000 3.763 692 M HA 0.274 4.754 4.480 -0.001 0.000 0.183 692 M C -0.753 175.500 176.300 -0.077 0.000 1.544 692 M CA -0.493 54.758 55.300 -0.081 0.000 1.722 692 M CB -2.103 30.451 32.600 -0.076 0.000 1.155 692 M HN 0.678 nan 8.290 nan 0.000 0.528 693 D N -0.095 120.264 120.400 -0.069 0.000 2.601 693 D HA 0.729 5.369 4.640 -0.001 0.000 0.230 693 D C 0.605 176.880 176.300 -0.042 0.000 1.106 693 D CA 0.865 54.832 54.000 -0.054 0.000 0.873 693 D CB 1.495 42.261 40.800 -0.057 0.000 1.515 693 D HN 0.481 nan 8.370 nan 0.000 0.468 694 G N 1.551 110.337 108.800 -0.024 0.000 2.611 694 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.301 694 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.301 694 G C 1.023 175.905 174.900 -0.029 0.000 1.233 694 G CA 1.119 46.211 45.100 -0.014 0.000 0.993 694 G HN 1.044 nan 8.290 nan 0.000 0.553 695 A N -0.358 122.436 122.820 -0.043 0.000 2.167 695 A HA 0.134 4.453 4.320 -0.001 0.000 0.214 695 A C 2.070 179.552 177.584 -0.170 0.000 1.151 695 A CA 1.889 53.874 52.037 -0.086 0.000 0.735 695 A CB -0.441 18.497 19.000 -0.103 0.000 0.802 695 A HN 0.633 nan 8.150 nan 0.000 0.467 696 N N 0.329 118.958 118.700 -0.118 0.000 2.192 696 N HA -0.143 4.597 4.740 -0.001 0.000 0.188 696 N C 1.516 176.858 175.510 -0.280 0.000 1.013 696 N CA 1.450 54.420 53.050 -0.135 0.000 0.863 696 N CB -0.468 38.008 38.487 -0.019 0.000 0.990 696 N HN 0.265 nan 8.380 nan 0.000 0.430 697 V N 1.202 121.004 119.914 -0.187 0.000 2.343 697 V HA -0.182 3.938 4.120 -0.001 0.000 0.247 697 V C 1.988 177.960 176.094 -0.205 0.000 1.051 697 V CA 1.545 63.736 62.300 -0.182 0.000 1.036 697 V CB -0.337 31.427 31.823 -0.099 0.000 0.654 697 V HN 0.375 nan 8.190 nan 0.000 0.451 698 E N -0.753 119.355 120.200 -0.154 0.000 2.208 698 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 698 E C 2.170 178.703 176.600 -0.112 0.000 0.988 698 E CA 1.087 57.462 56.400 -0.043 0.000 0.828 698 E CB -0.090 29.691 29.700 0.135 0.000 0.763 698 E HN 0.576 nan 8.360 nan 0.000 0.478 699 M N 0.272 119.611 119.600 -0.435 0.000 2.134 699 M HA -0.043 4.437 4.480 -0.001 0.000 0.262 699 M C 2.569 178.512 176.300 -0.596 0.000 1.076 699 M CA 1.226 56.262 55.300 -0.440 0.000 1.143 699 M CB -0.218 32.166 32.600 -0.360 0.000 1.346 699 M HN 0.065 nan 8.290 nan 0.000 0.421 700 A N 1.437 123.465 122.820 -1.321 0.000 1.917 700 A HA -0.260 4.060 4.320 -0.001 0.000 0.219 700 A C 1.962 179.293 177.584 -0.422 0.000 1.182 700 A CA 2.335 53.628 52.037 -1.240 0.000 0.633 700 A CB -1.081 17.313 19.000 -1.009 0.000 0.819 700 A HN 0.710 nan 8.150 nan 0.000 0.448 701 E N -0.845 119.198 120.200 -0.261 0.000 2.106 701 E HA -0.205 4.145 4.350 -0.001 0.000 0.192 701 E C 1.577 178.147 176.600 -0.049 0.000 0.984 701 E CA 1.170 57.501 56.400 -0.115 0.000 0.806 701 E CB -0.317 29.341 29.700 -0.070 0.000 0.750 701 E HN 0.544 nan 8.360 nan 0.000 0.458 702 E N 1.079 121.279 120.200 0.000 0.000 2.047 702 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 702 E C 2.124 178.766 176.600 0.070 0.000 0.987 702 E CA 1.442 57.888 56.400 0.076 0.000 0.799 702 E CB -0.256 29.577 29.700 0.222 0.000 0.752 702 E HN 0.461 nan 8.360 nan 0.000 0.449 703 A N 0.340 123.213 122.820 0.088 0.000 2.021 703 A HA 0.311 4.630 4.320 -0.001 0.000 0.216 703 A C 1.080 178.710 177.584 0.078 0.000 1.163 703 A CA 1.187 53.295 52.037 0.118 0.000 0.676 703 A CB 0.033 19.177 19.000 0.241 0.000 0.818 703 A HN 0.270 nan 8.150 nan 0.000 0.453 704 G N -0.463 108.366 108.800 0.049 0.000 3.363 704 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.685 704 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.685 704 G C 0.001 174.930 174.900 0.049 0.000 1.199 704 G CA -0.006 45.107 45.100 0.022 0.000 0.946 704 G HN 0.083 nan 8.290 nan 0.000 0.558 705 E N 1.429 121.629 120.200 0.000 0.000 2.136 705 E HA -0.246 4.103 4.350 -0.001 0.000 0.202 705 E C 2.167 178.788 176.600 0.034 0.000 1.019 705 E CA 2.133 58.540 56.400 0.011 0.000 0.819 705 E CB 0.054 29.744 29.700 -0.017 0.000 0.739 705 E HN 0.831 nan 8.360 nan 0.000 0.458 706 E N 0.747 120.942 120.200 -0.009 0.000 2.219 706 E HA -0.139 4.210 4.350 -0.001 0.000 0.198 706 E C 1.019 177.545 176.600 -0.122 0.000 0.998 706 E CA 1.017 57.383 56.400 -0.056 0.000 0.818 706 E CB -0.123 29.546 29.700 -0.051 0.000 0.741 706 E HN 0.277 nan 8.360 nan 0.000 0.477 707 N N -0.578 118.073 118.700 -0.082 0.000 2.351 707 N HA 0.123 4.862 4.740 -0.001 0.000 0.254 707 N C -0.991 174.394 175.510 -0.209 0.000 1.241 707 N CA -0.080 52.853 53.050 -0.195 0.000 0.883 707 N CB 0.595 39.009 38.487 -0.122 0.000 1.202 707 N HN 0.025 nan 8.380 nan 0.000 0.512 708 F N 0.578 120.383 119.950 -0.241 0.000 2.445 708 F HA 0.383 4.909 4.527 -0.001 0.000 0.348 708 F C -0.404 175.336 175.800 -0.100 0.000 1.125 708 F CA -0.941 56.989 58.000 -0.116 0.000 0.983 708 F CB 0.703 39.666 39.000 -0.060 0.000 1.198 708 F HN -0.128 nan 8.300 nan 0.000 0.436 709 F N 6.478 126.383 119.950 -0.074 0.000 2.678 709 F HA 0.229 4.756 4.527 -0.001 0.000 0.358 709 F C 0.781 176.666 175.800 0.141 0.000 1.256 709 F CA 0.011 58.020 58.000 0.015 0.000 1.278 709 F CB -0.621 38.343 39.000 -0.061 0.000 1.681 709 F HN 0.275 nan 8.300 nan 0.000 0.661 710 I N 2.025 122.806 120.570 0.353 0.000 3.138 710 I HA 0.224 4.394 4.170 -0.001 0.000 0.288 710 I C 0.058 176.442 176.117 0.444 0.000 1.148 710 I CA 0.057 61.576 61.300 0.366 0.000 1.315 710 I CB 0.976 39.119 38.000 0.237 0.000 1.426 710 I HN 0.421 nan 8.210 nan 0.000 0.615 711 F N 2.078 122.085 119.950 0.094 0.000 3.485 711 F HA 0.651 5.177 4.527 -0.001 0.000 0.328 711 F C -0.146 175.685 175.800 0.052 0.000 1.111 711 F CA -0.138 57.910 58.000 0.079 0.000 0.847 711 F CB -0.131 38.934 39.000 0.107 0.000 1.558 711 F HN 0.785 nan 8.300 nan 0.000 0.491 712 G N 1.061 109.755 108.800 -0.177 0.000 2.682 712 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.256 712 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.256 712 G C -0.516 174.277 174.900 -0.179 0.000 1.333 712 G CA -0.207 44.733 45.100 -0.266 0.000 0.904 712 G HN 0.999 nan 8.290 nan 0.000 0.569 713 M N 0.547 120.064 119.600 -0.139 0.000 2.269 713 M HA 0.191 4.671 4.480 -0.001 0.000 0.350 713 M C 0.950 177.182 176.300 -0.113 0.000 1.429 713 M CA 0.062 55.313 55.300 -0.083 0.000 1.063 713 M CB 0.399 32.967 32.600 -0.053 0.000 1.841 713 M HN 0.508 nan 8.290 nan 0.000 0.455 714 R N 1.900 122.358 120.500 -0.069 0.000 2.541 714 R HA 0.261 4.601 4.340 -0.001 0.000 0.263 714 R C 1.117 177.388 176.300 -0.049 0.000 1.112 714 R CA -0.669 55.391 56.100 -0.067 0.000 1.170 714 R CB 0.035 30.308 30.300 -0.044 0.000 1.167 714 R HN 0.566 nan 8.270 nan 0.000 0.582 715 V N 0.758 120.646 119.914 -0.044 0.000 2.343 715 V HA -0.209 3.911 4.120 -0.001 0.000 0.247 715 V C 2.230 178.311 176.094 -0.023 0.000 1.051 715 V CA 1.878 64.157 62.300 -0.035 0.000 1.036 715 V CB -0.531 31.273 31.823 -0.032 0.000 0.654 715 V HN 0.709 nan 8.190 nan 0.000 0.451 716 E N 1.549 121.738 120.200 -0.018 0.000 2.065 716 E HA -0.299 4.051 4.350 -0.001 0.000 0.201 716 E C 1.832 178.432 176.600 0.000 0.000 1.016 716 E CA 2.160 58.555 56.400 -0.009 0.000 0.818 716 E CB -0.303 29.394 29.700 -0.005 0.000 0.749 716 E HN 0.862 nan 8.360 nan 0.000 0.453 717 D N 0.109 120.511 120.400 0.005 0.000 2.347 717 D HA -0.079 4.561 4.640 -0.001 0.000 0.213 717 D C 2.056 178.369 176.300 0.021 0.000 0.985 717 D CA 0.191 54.203 54.000 0.021 0.000 0.879 717 D CB -0.267 40.552 40.800 0.032 0.000 0.919 717 D HN 0.125 nan 8.370 nan 0.000 0.526 718 V N 1.498 121.410 119.914 -0.002 0.000 2.323 718 V HA -0.196 3.923 4.120 -0.001 0.000 0.244 718 V C 1.752 177.842 176.094 -0.008 0.000 1.041 718 V CA 1.891 64.182 62.300 -0.016 0.000 1.025 718 V CB -0.199 31.602 31.823 -0.036 0.000 0.656 718 V HN -0.020 nan 8.190 nan 0.000 0.451 719 D N -0.558 119.837 120.400 -0.007 0.000 2.144 719 D HA -0.134 4.506 4.640 -0.001 0.000 0.199 719 D C 2.355 178.661 176.300 0.010 0.000 0.984 719 D CA 0.949 54.947 54.000 -0.004 0.000 0.834 719 D CB -0.122 40.674 40.800 -0.008 0.000 0.955 719 D HN 0.376 nan 8.370 nan 0.000 0.465 720 R N 0.396 120.907 120.500 0.019 0.000 2.066 720 R HA -0.073 4.266 4.340 -0.001 0.000 0.232 720 R C 2.204 178.534 176.300 0.050 0.000 1.131 720 R CA 0.253 56.371 56.100 0.030 0.000 0.955 720 R CB -1.027 29.293 30.300 0.033 0.000 0.851 720 R HN 0.200 nan 8.270 nan 0.000 0.432 721 L N 2.051 123.314 121.223 0.067 0.000 2.362 721 L HA -0.096 4.244 4.340 -0.001 0.000 0.219 721 L C 1.322 178.260 176.870 0.113 0.000 1.134 721 L CA 1.606 56.515 54.840 0.116 0.000 0.807 721 L CB -0.676 41.482 42.059 0.164 0.000 0.927 721 L HN 0.019 nan 8.230 nan 0.000 0.447 722 D N -0.810 119.626 120.400 0.061 0.000 2.097 722 D HA -0.180 4.459 4.640 -0.001 0.000 0.197 722 D C 2.067 178.398 176.300 0.052 0.000 0.984 722 D CA 1.173 55.203 54.000 0.049 0.000 0.826 722 D CB 0.173 40.979 40.800 0.010 0.000 0.973 722 D HN 0.489 nan 8.370 nan 0.000 0.460 723 Q N -0.049 119.775 119.800 0.040 0.000 2.046 723 Q HA -0.069 4.271 4.340 -0.001 0.000 0.200 723 Q C 2.249 178.272 176.000 0.039 0.000 0.975 723 Q CA 0.713 56.535 55.803 0.031 0.000 0.836 723 Q CB 0.016 28.768 28.738 0.023 0.000 0.896 723 Q HN 0.046 nan 8.270 nan 0.000 0.428 724 R N 0.688 121.218 120.500 0.050 0.000 2.189 724 R HA -0.059 4.280 4.340 -0.001 0.000 0.223 724 R C -0.187 176.149 176.300 0.059 0.000 1.092 724 R CA 1.259 57.389 56.100 0.051 0.000 0.989 724 R CB -0.195 30.140 30.300 0.058 0.000 0.876 724 R HN 0.344 nan 8.270 nan 0.000 0.457 725 G N 0.945 109.794 108.800 0.082 0.000 3.383 725 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.685 725 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.685 725 G C -0.934 174.041 174.900 0.126 0.000 1.104 725 G CA -0.128 45.024 45.100 0.087 0.000 0.957 725 G HN 0.382 nan 8.290 nan 0.000 0.461 726 Y N 3.611 123.939 120.300 0.047 0.000 2.683 726 Y HA 0.245 4.795 4.550 -0.001 0.000 0.355 726 Y C 0.829 176.786 175.900 0.095 0.000 1.199 726 Y CA -0.137 58.014 58.100 0.085 0.000 1.654 726 Y CB 0.069 38.549 38.460 0.034 0.000 1.361 726 Y HN 0.561 nan 8.280 nan 0.000 0.493 727 N N 4.597 123.212 118.700 -0.143 0.000 2.420 727 N HA 0.368 5.107 4.740 -0.001 0.000 0.249 727 N C 0.647 176.001 175.510 -0.260 0.000 1.033 727 N CA 0.249 53.188 53.050 -0.184 0.000 0.944 727 N CB 0.873 39.315 38.487 -0.075 0.000 1.113 727 N HN 0.784 nan 8.380 nan 0.000 0.502 728 A N 3.643 126.181 122.820 -0.470 0.000 1.832 728 A HA -0.177 4.143 4.320 -0.001 0.000 0.214 728 A C 1.177 178.815 177.584 0.090 0.000 1.200 728 A CA 0.924 52.728 52.037 -0.390 0.000 0.610 728 A CB -0.574 18.119 19.000 -0.512 0.000 0.842 728 A HN 0.812 nan 8.150 nan 0.000 0.444 729 Q N 0.337 120.141 119.800 0.006 0.000 2.371 729 Q HA 0.123 4.463 4.340 -0.001 0.000 0.254 729 Q C 0.316 176.382 176.000 0.110 0.000 1.264 729 Q CA 1.038 56.904 55.803 0.105 0.000 0.904 729 Q CB -0.123 28.570 28.738 -0.074 0.000 1.507 729 Q HN 0.776 nan 8.270 nan 0.000 0.495 730 E N 2.026 122.313 120.200 0.145 0.000 1.374 730 E HA -0.121 4.229 4.350 -0.001 0.000 0.215 730 E C -0.239 176.276 176.600 -0.142 0.000 1.048 730 E CA 0.037 56.419 56.400 -0.030 0.000 1.129 730 E CB -0.599 29.024 29.700 -0.128 0.000 4.608 730 E HN 0.552 nan 8.360 nan 0.000 0.729 731 Y N 0.234 120.615 120.300 0.135 0.000 2.114 731 Y HA -0.052 4.498 4.550 -0.001 0.000 0.284 731 Y C 2.347 178.340 175.900 0.154 0.000 1.119 731 Y CA 1.947 60.144 58.100 0.162 0.000 1.108 731 Y CB -0.826 37.787 38.460 0.254 0.000 0.995 731 Y HN 0.238 nan 8.280 nan 0.000 0.491 732 Y N 1.467 121.918 120.300 0.252 0.000 2.283 732 Y HA -0.313 4.236 4.550 -0.001 0.000 0.285 732 Y C 1.314 177.250 175.900 0.060 0.000 1.176 732 Y CA 1.897 60.075 58.100 0.129 0.000 1.229 732 Y CB -0.521 38.075 38.460 0.226 0.000 0.975 732 Y HN 0.228 nan 8.280 nan 0.000 0.537 733 D N -0.876 119.649 120.400 0.208 0.000 2.149 733 D HA -0.094 4.545 4.640 -0.001 0.000 0.206 733 D C 2.254 178.556 176.300 0.003 0.000 0.967 733 D CA 1.732 55.787 54.000 0.092 0.000 0.848 733 D CB -0.191 40.675 40.800 0.109 0.000 0.998 733 D HN 0.519 nan 8.370 nan 0.000 0.474 734 R N 0.925 121.432 120.500 0.012 0.000 2.062 734 R HA 0.052 4.392 4.340 -0.001 0.000 0.229 734 R C 0.657 176.953 176.300 -0.007 0.000 1.128 734 R CA 0.609 56.707 56.100 -0.004 0.000 0.960 734 R CB -0.712 29.583 30.300 -0.008 0.000 0.855 734 R HN 0.090 nan 8.270 nan 0.000 0.432 735 I N 4.432 125.008 120.570 0.010 0.000 2.471 735 I HA 0.028 4.198 4.170 -0.001 0.000 0.294 735 I C -1.316 174.757 176.117 -0.073 0.000 1.123 735 I CA -1.807 59.505 61.300 0.019 0.000 1.336 735 I CB 1.161 39.222 38.000 0.102 0.000 1.430 735 I HN 0.155 nan 8.210 nan 0.000 0.533 736 P HA -0.216 nan 4.420 nan 0.000 0.216 736 P C 0.984 178.225 177.300 -0.098 0.000 1.150 736 P CA 1.575 64.619 63.100 -0.094 0.000 0.843 736 P CB 0.402 32.069 31.700 -0.055 0.000 0.787 737 E N -0.218 119.969 120.200 -0.021 0.000 2.047 737 E HA -0.125 4.224 4.350 -0.001 0.000 0.191 737 E C 2.114 178.652 176.600 -0.104 0.000 0.987 737 E CA 0.650 57.051 56.400 0.001 0.000 0.799 737 E CB -1.127 28.665 29.700 0.154 0.000 0.752 737 E HN 0.064 nan 8.360 nan 0.000 0.449 738 L N 0.952 122.040 121.223 -0.225 0.000 2.129 738 L HA -0.177 4.163 4.340 -0.001 0.000 0.212 738 L C 2.073 178.712 176.870 -0.385 0.000 1.087 738 L CA 1.687 56.233 54.840 -0.491 0.000 0.757 738 L CB -0.318 41.294 42.059 -0.745 0.000 0.896 738 L HN 0.025 nan 8.230 nan 0.000 0.434 739 R N -1.196 119.017 120.500 -0.478 0.000 2.056 739 R HA -0.203 4.136 4.340 -0.001 0.000 0.227 739 R C 2.206 178.380 176.300 -0.210 0.000 1.149 739 R CA 1.452 57.168 56.100 -0.640 0.000 0.937 739 R CB -0.355 29.573 30.300 -0.621 0.000 0.835 739 R HN 0.392 nan 8.270 nan 0.000 0.430 740 Q N 1.621 121.329 119.800 -0.152 0.000 2.173 740 Q HA -0.192 4.147 4.340 -0.001 0.000 0.208 740 Q C 1.744 177.742 176.000 -0.003 0.000 0.989 740 Q CA 2.301 58.063 55.803 -0.067 0.000 0.872 740 Q CB -0.519 28.180 28.738 -0.065 0.000 0.909 740 Q HN 0.658 nan 8.270 nan 0.000 0.420 741 I N -3.392 117.190 120.570 0.019 0.000 2.480 741 I HA -0.049 4.120 4.170 -0.001 0.000 0.251 741 I C 1.850 178.058 176.117 0.152 0.000 1.124 741 I CA 0.347 61.719 61.300 0.120 0.000 1.444 741 I CB -0.462 37.615 38.000 0.129 0.000 1.098 741 I HN 0.055 nan 8.210 nan 0.000 0.428 742 I N 2.089 122.742 120.570 0.138 0.000 2.208 742 I HA -0.241 3.929 4.170 -0.001 0.000 0.245 742 I C 2.551 178.787 176.117 0.199 0.000 1.097 742 I CA 1.770 63.202 61.300 0.220 0.000 1.363 742 I CB -1.065 37.161 38.000 0.377 0.000 1.051 742 I HN 0.294 nan 8.210 nan 0.000 0.413 743 E N 0.530 120.829 120.200 0.165 0.000 2.110 743 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 743 E C 2.205 178.870 176.600 0.109 0.000 0.988 743 E CA 0.953 57.430 56.400 0.130 0.000 0.804 743 E CB -0.263 29.486 29.700 0.082 0.000 0.745 743 E HN 0.487 nan 8.360 nan 0.000 0.458 744 Q N -0.148 119.714 119.800 0.103 0.000 2.096 744 Q HA -0.158 4.182 4.340 -0.001 0.000 0.204 744 Q C 2.239 178.342 176.000 0.172 0.000 0.982 744 Q CA 1.239 57.102 55.803 0.100 0.000 0.850 744 Q CB -0.220 28.587 28.738 0.116 0.000 0.901 744 Q HN 0.333 nan 8.270 nan 0.000 0.422 745 L N 0.275 121.631 121.223 0.222 0.000 2.093 745 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 745 L C 2.610 179.619 176.870 0.231 0.000 1.085 745 L CA 1.380 56.352 54.840 0.220 0.000 0.755 745 L CB -0.558 41.590 42.059 0.148 0.000 0.904 745 L HN 0.244 nan 8.230 nan 0.000 0.435 746 S N -0.756 115.060 115.700 0.194 0.000 2.388 746 S HA -0.116 4.353 4.470 -0.001 0.000 0.223 746 S C 2.187 176.879 174.600 0.154 0.000 1.034 746 S CA 0.617 58.925 58.200 0.180 0.000 0.963 746 S CB -0.548 62.743 63.200 0.153 0.000 0.827 746 S HN 0.490 nan 8.310 nan 0.000 0.481 747 S N 2.059 117.836 115.700 0.128 0.000 2.372 747 S HA 0.119 4.589 4.470 -0.001 0.000 0.227 747 S C 1.781 176.453 174.600 0.121 0.000 1.044 747 S CA 1.300 59.561 58.200 0.102 0.000 1.050 747 S CB -1.355 61.889 63.200 0.073 0.000 0.901 747 S HN 1.695 nan 8.310 nan 0.000 0.447 748 G N -0.186 108.709 108.800 0.160 0.000 2.157 748 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.118 748 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.118 748 G C 0.124 175.133 174.900 0.182 0.000 1.032 748 G CA 0.168 45.383 45.100 0.192 0.000 0.697 748 G HN 0.368 nan 8.290 nan 0.000 0.495 749 F N 1.337 121.245 119.950 -0.070 0.000 2.043 749 F HA 0.024 4.551 4.527 -0.001 0.000 0.297 749 F C 1.915 177.568 175.800 -0.245 0.000 1.118 749 F CA 1.685 59.534 58.000 -0.251 0.000 1.202 749 F CB -0.426 38.256 39.000 -0.530 0.000 0.965 749 F HN 0.155 nan 8.300 nan 0.000 0.482 750 F N 0.446 120.325 119.950 -0.118 0.000 2.754 750 F HA 0.118 4.644 4.527 -0.001 0.000 0.303 750 F C 0.956 176.779 175.800 0.038 0.000 1.196 750 F CA 0.632 58.491 58.000 -0.234 0.000 1.416 750 F CB -1.071 37.755 39.000 -0.289 0.000 1.092 750 F HN 0.088 nan 8.300 nan 0.000 0.541 751 S N -1.795 114.043 115.700 0.230 0.000 2.680 751 S HA 0.201 4.670 4.470 -0.001 0.000 0.153 751 S C -1.920 172.750 174.600 0.116 0.000 1.224 751 S CA -0.792 57.535 58.200 0.212 0.000 1.197 751 S CB 0.459 63.817 63.200 0.263 0.000 1.634 751 S HN -0.055 nan 8.310 nan 0.000 0.422 752 P HA -0.065 nan 4.420 nan 0.000 0.224 752 P C 0.330 177.665 177.300 0.058 0.000 1.142 752 P CA 1.052 64.193 63.100 0.070 0.000 0.778 752 P CB -0.031 31.702 31.700 0.055 0.000 0.764 753 K N -0.707 119.723 120.400 0.049 0.000 2.646 753 K HA 0.247 4.567 4.320 -0.001 0.000 0.206 753 K C -0.247 176.375 176.600 0.036 0.000 1.069 753 K CA 0.047 56.358 56.287 0.040 0.000 1.067 753 K CB 0.673 33.193 32.500 0.034 0.000 0.807 753 K HN 0.054 nan 8.250 nan 0.000 0.482 754 Q N -1.250 118.572 119.800 0.038 0.000 3.342 754 Q HA 0.042 4.382 4.340 -0.001 0.000 0.186 754 Q C -2.652 173.368 176.000 0.033 0.000 0.790 754 Q CA -0.727 55.091 55.803 0.026 0.000 1.117 754 Q CB 1.070 29.816 28.738 0.014 0.000 1.585 754 Q HN -0.074 nan 8.270 nan 0.000 0.546 755 P HA -0.172 nan 4.420 nan 0.000 0.212 755 P C 0.527 177.894 177.300 0.111 0.000 1.179 755 P CA 1.517 64.675 63.100 0.096 0.000 0.898 755 P CB 0.184 31.938 31.700 0.088 0.000 0.775 756 D N 0.127 120.576 120.400 0.082 0.000 2.286 756 D HA -0.259 4.380 4.640 -0.001 0.000 0.195 756 D C 1.805 178.142 176.300 0.063 0.000 1.012 756 D CA 0.874 54.920 54.000 0.076 0.000 0.901 756 D CB -1.469 39.362 40.800 0.052 0.000 0.903 756 D HN 0.067 nan 8.370 nan 0.000 0.451 757 L N -0.588 120.630 121.223 -0.008 0.000 2.064 757 L HA -0.299 4.040 4.340 -0.001 0.000 0.234 757 L C 1.742 178.535 176.870 -0.129 0.000 1.103 757 L CA 1.889 56.647 54.840 -0.137 0.000 0.824 757 L CB -0.462 41.365 42.059 -0.386 0.000 0.919 757 L HN 0.052 nan 8.230 nan 0.000 0.447 758 F N -0.241 119.764 119.950 0.091 0.000 2.795 758 F HA -0.002 4.525 4.527 -0.001 0.000 0.303 758 F C 2.051 177.904 175.800 0.089 0.000 1.186 758 F CA 0.397 58.447 58.000 0.082 0.000 1.415 758 F CB -0.765 38.280 39.000 0.075 0.000 1.106 758 F HN 0.117 nan 8.300 nan 0.000 0.558 759 K N 0.959 121.485 120.400 0.211 0.000 2.032 759 K HA -0.284 4.035 4.320 -0.001 0.000 0.218 759 K C 1.343 178.041 176.600 0.162 0.000 1.054 759 K CA 2.489 58.874 56.287 0.164 0.000 0.941 759 K CB -0.259 32.310 32.500 0.116 0.000 0.720 759 K HN 0.212 nan 8.250 nan 0.000 0.449 760 D N 0.393 120.890 120.400 0.162 0.000 2.242 760 D HA -0.237 4.403 4.640 -0.001 0.000 0.193 760 D C 1.872 178.265 176.300 0.155 0.000 1.005 760 D CA 2.144 56.242 54.000 0.164 0.000 0.856 760 D CB -0.298 40.633 40.800 0.218 0.000 1.001 760 D HN 0.257 nan 8.370 nan 0.000 0.452 761 I N 0.279 120.949 120.570 0.167 0.000 2.163 761 I HA -0.247 3.922 4.170 -0.001 0.000 0.243 761 I C 2.423 178.603 176.117 0.104 0.000 1.085 761 I CA 0.647 62.023 61.300 0.125 0.000 1.347 761 I CB -0.453 37.620 38.000 0.121 0.000 1.044 761 I HN -0.038 nan 8.210 nan 0.000 0.408 762 V N 1.547 121.542 119.914 0.135 0.000 2.250 762 V HA -0.369 3.751 4.120 -0.001 0.000 0.250 762 V C 1.988 178.114 176.094 0.055 0.000 1.060 762 V CA 2.756 65.123 62.300 0.111 0.000 1.030 762 V CB -0.954 30.962 31.823 0.154 0.000 0.643 762 V HN 0.488 nan 8.190 nan 0.000 0.445 763 N N -0.310 118.451 118.700 0.102 0.000 2.331 763 N HA -0.126 4.614 4.740 -0.001 0.000 0.180 763 N C 1.668 177.292 175.510 0.190 0.000 1.019 763 N CA 1.486 54.624 53.050 0.146 0.000 0.881 763 N CB -0.178 38.447 38.487 0.230 0.000 0.972 763 N HN 0.681 nan 8.380 nan 0.000 0.435 764 M N -0.867 118.835 119.600 0.171 0.000 2.388 764 M HA 0.172 4.652 4.480 -0.001 0.000 0.265 764 M C 1.343 177.674 176.300 0.051 0.000 1.088 764 M CA 1.268 56.708 55.300 0.232 0.000 1.134 764 M CB -0.236 32.458 32.600 0.157 0.000 1.384 764 M HN -0.081 nan 8.290 nan 0.000 0.447 765 L N 0.527 121.707 121.223 -0.072 0.000 1.988 765 L HA -0.003 4.337 4.340 -0.001 0.000 0.207 765 L C 2.449 179.029 176.870 -0.484 0.000 1.071 765 L CA 1.864 56.544 54.840 -0.266 0.000 0.744 765 L CB -0.946 40.984 42.059 -0.215 0.000 0.893 765 L HN 0.409 nan 8.230 nan 0.000 0.433 766 M N -1.166 118.159 119.600 -0.458 0.000 2.195 766 M HA -0.219 4.261 4.480 -0.001 0.000 0.260 766 M C 1.441 177.147 176.300 -0.991 0.000 1.066 766 M CA 1.780 56.628 55.300 -0.754 0.000 1.089 766 M CB -0.801 31.270 32.600 -0.882 0.000 1.377 766 M HN 0.418 nan 8.290 nan 0.000 0.411 767 H N -4.059 114.845 119.070 -0.277 0.000 3.876 767 H HA 0.212 4.767 4.556 -0.001 0.000 0.262 767 H C 0.181 175.090 175.328 -0.699 0.000 1.158 767 H CA 0.232 55.962 56.048 -0.530 0.000 1.170 767 H CB 0.212 29.562 29.762 -0.687 0.000 1.528 767 H HN 0.498 nan 8.280 nan 0.000 0.689 768 H N -0.101 118.986 119.070 0.029 0.000 2.865 768 H HA 0.098 4.653 4.556 -0.001 0.000 0.247 768 H C -0.235 175.111 175.328 0.030 0.000 1.181 768 H CA -0.306 55.769 56.048 0.046 0.000 0.975 768 H CB 0.950 30.746 29.762 0.057 0.000 1.899 768 H HN 0.006 nan 8.280 nan 0.000 0.651 769 D N 1.677 122.134 120.400 0.094 0.000 2.441 769 D HA -0.009 4.631 4.640 -0.001 0.000 0.243 769 D C 1.080 177.359 176.300 -0.035 0.000 1.257 769 D CA -0.055 53.986 54.000 0.068 0.000 1.027 769 D CB 0.423 41.253 40.800 0.050 0.000 1.084 769 D HN 0.246 nan 8.370 nan 0.000 0.514 770 R N 2.238 122.643 120.500 -0.158 0.000 2.316 770 R HA -0.169 4.170 4.340 -0.001 0.000 0.232 770 R C 0.724 176.526 176.300 -0.830 0.000 1.137 770 R CA 0.857 56.668 56.100 -0.481 0.000 1.012 770 R CB -0.183 29.695 30.300 -0.705 0.000 0.859 770 R HN 0.456 nan 8.270 nan 0.000 0.474 771 F N 0.454 120.346 119.950 -0.096 0.000 2.746 771 F HA 0.154 4.681 4.527 -0.001 0.000 0.297 771 F C 0.414 176.051 175.800 -0.271 0.000 1.113 771 F CA -0.144 57.773 58.000 -0.138 0.000 1.367 771 F CB 0.214 39.182 39.000 -0.054 0.000 1.111 771 F HN -0.174 nan 8.300 nan 0.000 0.590 772 K N -0.318 119.867 120.400 -0.358 0.000 3.549 772 K HA -0.142 4.177 4.320 -0.001 0.000 0.275 772 K C 0.668 177.161 176.600 -0.179 0.000 1.060 772 K CA 0.096 55.957 56.287 -0.710 0.000 0.812 772 K CB -1.886 30.115 32.500 -0.832 0.000 1.374 772 K HN 0.090 nan 8.250 nan 0.000 0.455 773 V N 0.528 120.442 119.914 -0.000 0.000 2.216 773 V HA -0.273 3.846 4.120 -0.001 0.000 0.242 773 V C 2.007 178.256 176.094 0.259 0.000 1.042 773 V CA 2.135 64.513 62.300 0.131 0.000 0.991 773 V CB -0.469 31.467 31.823 0.188 0.000 0.633 773 V HN 0.475 nan 8.190 nan 0.000 0.449 774 F N 1.049 121.021 119.950 0.035 0.000 2.141 774 F HA -0.292 4.234 4.527 -0.001 0.000 0.300 774 F C 2.473 178.160 175.800 -0.188 0.000 1.079 774 F CA 1.146 59.124 58.000 -0.037 0.000 1.264 774 F CB -1.649 37.324 39.000 -0.044 0.000 1.011 774 F HN 0.160 nan 8.300 nan 0.000 0.487 775 A N -0.245 122.501 122.820 -0.124 0.000 1.903 775 A HA -0.242 4.078 4.320 -0.001 0.000 0.219 775 A C 1.862 179.465 177.584 0.032 0.000 1.191 775 A CA 2.275 54.129 52.037 -0.306 0.000 0.638 775 A CB -0.819 18.106 19.000 -0.125 0.000 0.823 775 A HN 0.279 nan 8.150 nan 0.000 0.451 776 D N -2.574 117.893 120.400 0.112 0.000 2.328 776 D HA 0.090 4.729 4.640 -0.001 0.000 0.226 776 D C 1.087 177.609 176.300 0.369 0.000 1.066 776 D CA 0.019 54.148 54.000 0.216 0.000 0.861 776 D CB -0.131 40.750 40.800 0.136 0.000 0.912 776 D HN 0.560 nan 8.370 nan 0.000 0.521 777 Y N 2.023 122.440 120.300 0.196 0.000 2.114 777 Y HA -0.227 4.323 4.550 -0.001 0.000 0.284 777 Y C 1.681 177.685 175.900 0.173 0.000 1.143 777 Y CA 1.880 60.100 58.100 0.200 0.000 1.135 777 Y CB 0.202 38.707 38.460 0.075 0.000 0.980 777 Y HN -0.066 nan 8.280 nan 0.000 0.499 778 E N -0.464 119.760 120.200 0.040 0.000 2.112 778 E HA -0.120 4.230 4.350 -0.001 0.000 0.190 778 E C 2.064 178.647 176.600 -0.029 0.000 0.979 778 E CA 0.980 57.296 56.400 -0.139 0.000 0.814 778 E CB -0.304 29.384 29.700 -0.019 0.000 0.762 778 E HN 0.378 nan 8.360 nan 0.000 0.460 779 E N 0.039 120.313 120.200 0.122 0.000 2.153 779 E HA -0.189 4.161 4.350 -0.001 0.000 0.194 779 E C 1.584 178.304 176.600 0.199 0.000 0.988 779 E CA 0.756 57.258 56.400 0.169 0.000 0.811 779 E CB -0.060 29.790 29.700 0.248 0.000 0.746 779 E HN 0.321 nan 8.360 nan 0.000 0.466 780 Y N 0.975 121.327 120.300 0.087 0.000 2.133 780 Y HA -0.179 4.371 4.550 -0.001 0.000 0.287 780 Y C 2.195 177.865 175.900 -0.382 0.000 1.134 780 Y CA 1.227 59.176 58.100 -0.251 0.000 1.133 780 Y CB -0.593 37.838 38.460 -0.049 0.000 0.987 780 Y HN -0.187 nan 8.280 nan 0.000 0.502 781 V N 0.500 120.105 119.914 -0.515 0.000 2.626 781 V HA -0.224 3.895 4.120 -0.001 0.000 0.252 781 V C 2.336 178.194 176.094 -0.393 0.000 1.067 781 V CA 1.891 63.832 62.300 -0.598 0.000 1.081 781 V CB -0.628 30.892 31.823 -0.505 0.000 0.686 781 V HN 0.241 nan 8.190 nan 0.000 0.468 782 K N -0.598 119.643 120.400 -0.266 0.000 1.973 782 K HA -0.215 4.105 4.320 -0.001 0.000 0.212 782 K C 2.352 178.848 176.600 -0.173 0.000 1.047 782 K CA 1.988 58.181 56.287 -0.157 0.000 0.937 782 K CB -0.680 31.778 32.500 -0.070 0.000 0.721 782 K HN 0.453 nan 8.250 nan 0.000 0.440 783 C N 1.353 120.545 119.300 -0.180 0.000 2.375 783 C HA -0.210 4.250 4.460 -0.001 0.000 0.274 783 C C 2.794 177.624 174.990 -0.267 0.000 1.190 783 C CA 1.164 60.082 59.018 -0.167 0.000 1.775 783 C CB -0.835 26.758 27.740 -0.245 0.000 2.067 783 C HN 0.514 nan 8.230 nan 0.000 0.463 784 Q N 0.019 119.528 119.800 -0.485 0.000 2.045 784 Q HA -0.237 4.102 4.340 -0.001 0.000 0.206 784 Q C 1.992 177.810 176.000 -0.303 0.000 0.991 784 Q CA 2.088 57.579 55.803 -0.519 0.000 0.851 784 Q CB -0.562 27.735 28.738 -0.736 0.000 0.911 784 Q HN 0.752 nan 8.270 nan 0.000 0.418 785 E N 0.074 120.147 120.200 -0.212 0.000 2.085 785 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 785 E C 2.102 178.673 176.600 -0.048 0.000 0.994 785 E CA 0.719 57.051 56.400 -0.114 0.000 0.801 785 E CB -0.119 29.527 29.700 -0.090 0.000 0.743 785 E HN 0.241 nan 8.360 nan 0.000 0.453 786 R N 0.353 120.851 120.500 -0.004 0.000 2.170 786 R HA -0.137 4.203 4.340 -0.001 0.000 0.242 786 R C 2.285 178.724 176.300 0.231 0.000 1.145 786 R CA 0.776 56.957 56.100 0.134 0.000 0.984 786 R CB -0.283 30.147 30.300 0.216 0.000 0.869 786 R HN 0.100 nan 8.270 nan 0.000 0.455 787 V N 0.037 119.883 119.914 -0.113 0.000 2.256 787 V HA -0.189 3.931 4.120 -0.001 0.000 0.240 787 V C 1.881 177.898 176.094 -0.128 0.000 1.036 787 V CA 1.941 63.968 62.300 -0.455 0.000 1.008 787 V CB -0.070 31.251 31.823 -0.835 0.000 0.648 787 V HN 0.285 nan 8.190 nan 0.000 0.453 788 S N 0.364 115.983 115.700 -0.136 0.000 2.465 788 S HA -0.140 4.330 4.470 -0.001 0.000 0.241 788 S C 1.986 176.613 174.600 0.046 0.000 1.000 788 S CA 1.080 59.243 58.200 -0.062 0.000 0.964 788 S CB -0.484 62.654 63.200 -0.103 0.000 0.763 788 S HN 0.665 nan 8.310 nan 0.000 0.512 789 A N 2.071 124.929 122.820 0.062 0.000 1.834 789 A HA -0.098 4.222 4.320 -0.001 0.000 0.216 789 A C 2.098 179.780 177.584 0.164 0.000 1.203 789 A CA 1.585 53.686 52.037 0.107 0.000 0.621 789 A CB -1.005 18.065 19.000 0.117 0.000 0.841 789 A HN 0.422 nan 8.150 nan 0.000 0.446 790 L N -1.983 119.395 121.223 0.257 0.000 2.079 790 L HA -0.151 4.189 4.340 -0.001 0.000 0.210 790 L C 2.267 179.335 176.870 0.329 0.000 1.081 790 L CA 1.829 56.891 54.840 0.371 0.000 0.752 790 L CB -0.898 41.533 42.059 0.620 0.000 0.896 790 L HN 0.510 nan 8.230 nan 0.000 0.433 791 Y N 0.416 120.704 120.300 -0.021 0.000 2.315 791 Y HA -0.266 4.284 4.550 -0.001 0.000 0.288 791 Y C 2.370 178.186 175.900 -0.140 0.000 1.154 791 Y CA 1.488 59.412 58.100 -0.293 0.000 1.229 791 Y CB -0.272 37.968 38.460 -0.367 0.000 0.980 791 Y HN 0.267 nan 8.280 nan 0.000 0.540 792 K N -0.333 120.077 120.400 0.017 0.000 2.155 792 K HA -0.133 4.186 4.320 -0.001 0.000 0.203 792 K C 0.595 177.161 176.600 -0.056 0.000 1.052 792 K CA 0.905 57.177 56.287 -0.024 0.000 0.948 792 K CB -0.165 32.371 32.500 0.061 0.000 0.728 792 K HN 0.090 nan 8.250 nan 0.000 0.448 793 N N 1.102 119.808 118.700 0.011 0.000 2.558 793 N HA 0.087 4.827 4.740 -0.001 0.000 0.233 793 N C -2.399 173.140 175.510 0.048 0.000 1.038 793 N CA -2.208 50.859 53.050 0.027 0.000 0.934 793 N CB 1.379 39.909 38.487 0.072 0.000 1.175 793 N HN -0.203 nan 8.380 nan 0.000 0.512 794 P HA -0.092 nan 4.420 nan 0.000 0.217 794 P C 1.268 178.635 177.300 0.112 0.000 1.151 794 P CA 0.875 63.977 63.100 0.004 0.000 0.828 794 P CB 0.278 31.927 31.700 -0.086 0.000 0.788 795 R N 0.563 121.111 120.500 0.080 0.000 2.080 795 R HA -0.165 4.175 4.340 -0.001 0.000 0.236 795 R C 1.975 178.352 176.300 0.129 0.000 1.137 795 R CA 1.615 57.770 56.100 0.092 0.000 0.943 795 R CB -0.675 29.661 30.300 0.060 0.000 0.846 795 R HN -0.004 nan 8.270 nan 0.000 0.431 796 E N -0.574 119.706 120.200 0.134 0.000 2.208 796 E HA -0.174 4.175 4.350 -0.001 0.000 0.193 796 E C 1.444 178.166 176.600 0.203 0.000 0.988 796 E CA 0.721 57.200 56.400 0.133 0.000 0.828 796 E CB -0.226 29.538 29.700 0.107 0.000 0.763 796 E HN 0.485 nan 8.360 nan 0.000 0.478 797 W N 1.646 122.994 121.300 0.080 0.000 2.408 797 W HA -0.131 4.528 4.660 -0.001 0.000 0.311 797 W C 2.121 178.703 176.519 0.104 0.000 1.190 797 W CA 2.001 59.420 57.345 0.123 0.000 1.321 797 W CB -0.318 29.252 29.460 0.182 0.000 1.143 797 W HN -0.101 nan 8.180 nan 0.000 0.501 798 T N 1.152 116.007 114.554 0.502 0.000 3.025 798 T HA -0.130 4.219 4.350 -0.001 0.000 0.270 798 T C 1.596 176.384 174.700 0.147 0.000 1.126 798 T CA 0.964 63.254 62.100 0.317 0.000 1.105 798 T CB -0.249 68.783 68.868 0.273 0.000 0.884 798 T HN 0.171 nan 8.240 nan 0.000 0.522 799 R N 0.067 120.633 120.500 0.110 0.000 2.200 799 R HA 0.193 4.533 4.340 -0.001 0.000 0.208 799 R C 2.174 178.461 176.300 -0.022 0.000 1.033 799 R CA 0.419 56.552 56.100 0.054 0.000 1.000 799 R CB -0.164 30.167 30.300 0.051 0.000 0.906 799 R HN 0.342 nan 8.270 nan 0.000 0.462 800 M N 0.509 120.051 119.600 -0.097 0.000 2.067 800 M HA -0.122 4.358 4.480 -0.001 0.000 0.260 800 M C 2.338 178.519 176.300 -0.199 0.000 1.069 800 M CA 1.518 56.695 55.300 -0.205 0.000 1.117 800 M CB -0.553 31.808 32.600 -0.398 0.000 1.334 800 M HN -0.083 nan 8.290 nan 0.000 0.407 801 V N 0.601 120.371 119.914 -0.239 0.000 2.332 801 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 801 V C 2.339 178.407 176.094 -0.043 0.000 1.055 801 V CA 1.559 63.760 62.300 -0.165 0.000 1.038 801 V CB -0.793 30.950 31.823 -0.132 0.000 0.651 801 V HN 0.416 nan 8.190 nan 0.000 0.450 802 I N -0.458 120.115 120.570 0.005 0.000 2.614 802 I HA -0.198 3.972 4.170 -0.001 0.000 0.258 802 I C 2.680 178.789 176.117 -0.012 0.000 1.189 802 I CA 1.307 62.625 61.300 0.031 0.000 1.462 802 I CB -0.397 37.643 38.000 0.066 0.000 1.092 802 I HN 0.204 nan 8.210 nan 0.000 0.442 803 R N 1.044 121.527 120.500 -0.028 0.000 2.093 803 R HA -0.043 4.297 4.340 -0.001 0.000 0.224 803 R C 1.952 178.249 176.300 -0.005 0.000 1.101 803 R CA 1.288 57.374 56.100 -0.023 0.000 0.979 803 R CB -0.010 30.268 30.300 -0.037 0.000 0.877 803 R HN 0.361 nan 8.270 nan 0.000 0.441 804 N N -0.223 118.464 118.700 -0.022 0.000 2.083 804 N HA -0.046 4.694 4.740 -0.001 0.000 0.190 804 N C 1.568 177.101 175.510 0.038 0.000 1.047 804 N CA 1.465 54.522 53.050 0.011 0.000 0.845 804 N CB -0.053 38.403 38.487 -0.052 0.000 1.025 804 N HN 0.021 nan 8.380 nan 0.000 0.428 805 I N 1.363 121.946 120.570 0.021 0.000 2.094 805 I HA -0.399 3.770 4.170 -0.001 0.000 0.236 805 I C 2.387 178.518 176.117 0.023 0.000 1.016 805 I CA 1.593 62.913 61.300 0.033 0.000 1.294 805 I CB -0.626 37.393 38.000 0.032 0.000 1.006 805 I HN 0.208 nan 8.210 nan 0.000 0.397 806 A N -0.496 122.323 122.820 -0.002 0.000 1.997 806 A HA -0.271 4.048 4.320 -0.001 0.000 0.221 806 A C 2.343 179.935 177.584 0.013 0.000 1.172 806 A CA 2.719 54.746 52.037 -0.016 0.000 0.645 806 A CB -1.116 17.866 19.000 -0.029 0.000 0.813 806 A HN 0.498 nan 8.150 nan 0.000 0.454 807 T N -0.222 114.358 114.554 0.042 0.000 2.985 807 T HA -0.030 4.319 4.350 -0.001 0.000 0.266 807 T C 1.790 176.551 174.700 0.102 0.000 1.076 807 T CA 1.164 63.306 62.100 0.070 0.000 1.135 807 T CB -0.293 68.631 68.868 0.094 0.000 0.890 807 T HN 0.512 nan 8.240 nan 0.000 0.480 808 S N 1.109 116.884 115.700 0.125 0.000 2.547 808 S HA -0.103 4.367 4.470 -0.001 0.000 0.255 808 S C 2.121 176.774 174.600 0.089 0.000 0.977 808 S CA 0.578 58.883 58.200 0.176 0.000 0.960 808 S CB -0.774 62.516 63.200 0.150 0.000 0.746 808 S HN 0.670 nan 8.310 nan 0.000 0.532 809 G N 2.734 111.538 108.800 0.007 0.000 2.529 809 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.219 809 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.219 809 G C 1.143 175.930 174.900 -0.189 0.000 1.177 809 G CA 1.270 46.332 45.100 -0.063 0.000 0.773 809 G HN 0.711 nan 8.290 nan 0.000 0.573 810 K N -0.543 119.608 120.400 -0.416 0.000 2.469 810 K HA 0.330 4.649 4.320 -0.001 0.000 0.201 810 K C 0.172 176.113 176.600 -1.099 0.000 1.028 810 K CA -0.081 55.810 56.287 -0.659 0.000 1.170 810 K CB -0.112 31.992 32.500 -0.660 0.000 0.874 810 K HN 0.224 nan 8.250 nan 0.000 0.507 811 F N 1.090 121.059 119.950 0.032 0.000 2.837 811 F HA 0.276 4.802 4.527 -0.001 0.000 0.298 811 F C 0.260 176.096 175.800 0.061 0.000 1.161 811 F CA -0.977 57.051 58.000 0.047 0.000 1.353 811 F CB 0.454 39.485 39.000 0.051 0.000 0.951 811 F HN 0.043 nan 8.300 nan 0.000 0.508 812 S N -0.334 115.378 115.700 0.019 0.000 2.489 812 S HA 0.301 4.771 4.470 -0.001 0.000 0.291 812 S C 1.332 175.952 174.600 0.034 0.000 1.151 812 S CA -0.066 58.166 58.200 0.054 0.000 1.082 812 S CB 1.104 64.312 63.200 0.014 0.000 1.019 812 S HN 0.298 nan 8.310 nan 0.000 0.492 813 S N 3.270 119.022 115.700 0.087 0.000 2.382 813 S HA -0.140 4.330 4.470 -0.001 0.000 0.228 813 S C 1.117 175.696 174.600 -0.035 0.000 1.027 813 S CA 1.235 59.475 58.200 0.066 0.000 0.991 813 S CB -0.633 62.666 63.200 0.165 0.000 0.823 813 S HN 0.833 nan 8.310 nan 0.000 0.469 814 D N 1.658 122.047 120.400 -0.019 0.000 2.190 814 D HA -0.163 4.477 4.640 -0.001 0.000 0.200 814 D C 2.057 178.315 176.300 -0.071 0.000 0.992 814 D CA 1.193 55.169 54.000 -0.041 0.000 0.854 814 D CB -0.280 40.501 40.800 -0.031 0.000 0.936 814 D HN 0.568 nan 8.370 nan 0.000 0.462 815 R N 0.700 121.148 120.500 -0.087 0.000 2.055 815 R HA -0.091 4.248 4.340 -0.001 0.000 0.226 815 R C 2.064 178.272 176.300 -0.153 0.000 1.135 815 R CA 1.553 57.584 56.100 -0.115 0.000 0.959 815 R CB -0.355 29.862 30.300 -0.138 0.000 0.854 815 R HN -0.003 nan 8.270 nan 0.000 0.431 816 T N 2.274 116.726 114.554 -0.170 0.000 2.653 816 T HA -0.183 4.166 4.350 -0.001 0.000 0.268 816 T C 1.878 176.386 174.700 -0.321 0.000 1.035 816 T CA 1.645 63.593 62.100 -0.254 0.000 1.154 816 T CB -0.166 68.555 68.868 -0.245 0.000 0.862 816 T HN 0.149 nan 8.240 nan 0.000 0.441 817 I N 1.721 122.142 120.570 -0.248 0.000 2.202 817 I HA -0.041 4.129 4.170 -0.001 0.000 0.242 817 I C 3.006 179.073 176.117 -0.083 0.000 1.091 817 I CA 0.989 62.210 61.300 -0.131 0.000 1.368 817 I CB -1.767 36.184 38.000 -0.081 0.000 1.058 817 I HN 0.221 nan 8.210 nan 0.000 0.410 818 A N 0.183 122.955 122.820 -0.080 0.000 2.032 818 A HA -0.244 4.076 4.320 -0.001 0.000 0.221 818 A C 2.240 179.758 177.584 -0.111 0.000 1.165 818 A CA 1.510 53.512 52.037 -0.058 0.000 0.645 818 A CB -0.564 18.403 19.000 -0.056 0.000 0.807 818 A HN 0.553 nan 8.150 nan 0.000 0.453 819 Q N -1.920 117.760 119.800 -0.201 0.000 2.083 819 Q HA -0.142 4.197 4.340 -0.001 0.000 0.198 819 Q C 1.872 177.638 176.000 -0.391 0.000 0.969 819 Q CA 1.486 57.122 55.803 -0.278 0.000 0.838 819 Q CB -0.270 28.262 28.738 -0.343 0.000 0.900 819 Q HN 0.824 nan 8.270 nan 0.000 0.436 820 Y N 0.588 120.615 120.300 -0.455 0.000 2.224 820 Y HA -0.220 4.329 4.550 -0.001 0.000 0.289 820 Y C 2.370 177.840 175.900 -0.718 0.000 1.146 820 Y CA 1.088 58.697 58.100 -0.819 0.000 1.182 820 Y CB -0.535 36.954 38.460 -1.619 0.000 0.983 820 Y HN 0.147 nan 8.280 nan 0.000 0.524 821 A N 0.381 123.078 122.820 -0.205 0.000 1.845 821 A HA -0.188 4.132 4.320 -0.001 0.000 0.215 821 A C 2.305 179.923 177.584 0.057 0.000 1.195 821 A CA 1.848 53.953 52.037 0.113 0.000 0.616 821 A CB -0.556 18.548 19.000 0.173 0.000 0.832 821 A HN 0.382 nan 8.150 nan 0.000 0.443 822 R N -0.524 119.970 120.500 -0.010 0.000 2.062 822 R HA -0.066 4.274 4.340 -0.001 0.000 0.229 822 R C 2.248 178.540 176.300 -0.013 0.000 1.128 822 R CA 1.564 57.665 56.100 0.000 0.000 0.960 822 R CB -0.332 29.956 30.300 -0.020 0.000 0.855 822 R HN 0.669 nan 8.270 nan 0.000 0.432 823 E N 0.223 120.381 120.200 -0.071 0.000 2.028 823 E HA -0.079 4.271 4.350 -0.001 0.000 0.190 823 E C 1.996 178.575 176.600 -0.036 0.000 0.984 823 E CA 1.088 57.449 56.400 -0.066 0.000 0.800 823 E CB 0.141 29.770 29.700 -0.119 0.000 0.758 823 E HN 0.294 nan 8.360 nan 0.000 0.448 824 I N -0.802 119.709 120.570 -0.099 0.000 2.681 824 I HA -0.066 4.103 4.170 -0.001 0.000 0.247 824 I C 2.103 178.317 176.117 0.161 0.000 1.091 824 I CA 0.064 61.359 61.300 -0.009 0.000 1.442 824 I CB -0.310 37.609 38.000 -0.135 0.000 1.219 824 I HN 0.157 nan 8.210 nan 0.000 0.451 825 W N 1.691 123.091 121.300 0.168 0.000 2.335 825 W HA 0.002 4.662 4.660 -0.001 0.000 0.311 825 W C 1.600 178.174 176.519 0.092 0.000 1.213 825 W CA 1.672 59.097 57.345 0.133 0.000 1.274 825 W CB -1.304 28.215 29.460 0.099 0.000 1.148 825 W HN 0.397 nan 8.180 nan 0.000 0.498 826 G N -0.089 108.873 108.800 0.271 0.000 2.356 826 G HA2 0.004 3.964 3.960 -0.001 0.000 0.233 826 G HA3 0.004 3.964 3.960 -0.001 0.000 0.233 826 G C -0.571 174.413 174.900 0.139 0.000 1.105 826 G CA -0.106 45.089 45.100 0.158 0.000 0.861 826 G HN 0.605 nan 8.290 nan 0.000 0.493 827 V N -4.005 116.006 119.914 0.161 0.000 3.147 827 V HA 0.917 5.036 4.120 -0.001 0.000 0.306 827 V C -0.590 175.574 176.094 0.117 0.000 1.209 827 V CA -1.684 60.691 62.300 0.124 0.000 1.023 827 V CB 2.209 34.103 31.823 0.119 0.000 1.059 827 V HN 0.198 nan 8.190 nan 0.000 0.435 828 E N 3.729 123.982 120.200 0.088 0.000 2.115 828 E HA 0.518 4.868 4.350 -0.001 0.000 0.282 828 E C -2.389 174.256 176.600 0.074 0.000 0.987 828 E CA -2.263 54.180 56.400 0.071 0.000 0.797 828 E CB 1.423 31.156 29.700 0.055 0.000 1.086 828 E HN 0.726 nan 8.360 nan 0.000 0.397 829 P HA -0.000 nan 4.420 nan 0.000 0.252 829 P C -0.228 177.105 177.300 0.054 0.000 1.694 829 P CA -0.124 63.017 63.100 0.069 0.000 1.163 829 P CB 0.100 31.836 31.700 0.061 0.000 1.934 830 S N 2.897 118.634 115.700 0.061 0.000 2.559 830 S HA -0.013 4.456 4.470 -0.001 0.000 0.282 830 S C 0.754 175.378 174.600 0.039 0.000 1.336 830 S CA -0.041 58.189 58.200 0.050 0.000 1.037 830 S CB 0.239 63.474 63.200 0.060 0.000 0.853 830 S HN 0.401 nan 8.310 nan 0.000 0.523 831 R N 1.961 122.478 120.500 0.028 0.000 2.865 831 R HA 0.256 4.595 4.340 -0.001 0.000 0.370 831 R C -0.444 175.866 176.300 0.017 0.000 1.168 831 R CA -0.089 56.024 56.100 0.022 0.000 1.058 831 R CB 0.280 30.590 30.300 0.017 0.000 1.419 831 R HN 0.674 nan 8.270 nan 0.000 0.580 832 Q N 0.600 120.407 119.800 0.012 0.000 2.293 832 Q HA 0.263 4.603 4.340 -0.001 0.000 0.261 832 Q C -0.690 175.295 176.000 -0.025 0.000 0.960 832 Q CA -0.823 54.978 55.803 -0.003 0.000 0.882 832 Q CB 2.357 31.093 28.738 -0.004 0.000 1.275 832 Q HN 0.062 nan 8.270 nan 0.000 0.445 833 R N 2.872 123.358 120.500 -0.024 0.000 2.446 833 R HA 0.060 4.400 4.340 -0.001 0.000 0.325 833 R C -0.769 175.494 176.300 -0.063 0.000 0.997 833 R CA 0.083 56.159 56.100 -0.040 0.000 1.010 833 R CB -0.059 30.224 30.300 -0.029 0.000 0.946 833 R HN 0.581 nan 8.270 nan 0.000 0.422 834 L N 8.215 129.376 121.223 -0.103 0.000 2.292 834 L HA 0.418 4.757 4.340 -0.001 0.000 0.284 834 L C -1.437 175.366 176.870 -0.112 0.000 1.065 834 L CA -2.124 52.624 54.840 -0.153 0.000 0.806 834 L CB 1.250 43.130 42.059 -0.298 0.000 1.175 834 L HN 0.648 nan 8.230 nan 0.000 0.431 835 P HA -0.137 nan 4.420 nan 0.000 0.211 835 P C 0.152 177.430 177.300 -0.037 0.000 0.969 835 P CA 1.565 64.638 63.100 -0.045 0.000 0.938 835 P CB -0.015 31.667 31.700 -0.031 0.000 0.603 836 A N -3.098 119.707 122.820 -0.026 0.000 5.758 836 A HA -0.065 4.255 4.320 -0.001 0.000 0.387 836 A C -1.857 175.727 177.584 0.000 0.000 1.945 836 A CA 0.193 52.222 52.037 -0.013 0.000 0.586 836 A CB -2.640 16.351 19.000 -0.016 0.000 2.095 836 A HN 0.330 nan 8.150 nan 0.000 0.410 837 P HA -0.255 nan 4.420 nan 0.000 0.224 837 P C 0.372 177.677 177.300 0.008 0.000 1.155 837 P CA 2.596 65.705 63.100 0.015 0.000 0.843 837 P CB -0.640 31.077 31.700 0.029 0.000 0.718 838 D N -1.347 119.056 120.400 0.005 0.000 2.689 838 D HA -0.177 4.463 4.640 -0.001 0.000 0.237 838 D C 0.194 176.499 176.300 0.010 0.000 1.148 838 D CA 1.976 55.979 54.000 0.005 0.000 0.656 838 D CB -1.006 39.795 40.800 0.002 0.000 1.050 838 D HN 0.582 nan 8.370 nan 0.000 0.426 839 E N 0.000 120.210 120.200 0.017 0.000 2.725 839 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 839 E CA 0.000 56.414 56.400 0.023 0.000 0.976 839 E CB 0.000 29.712 29.700 0.020 0.000 0.812 839 E HN 0.000 nan 8.360 nan 0.000 0.440