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 1gpb_1_A DATA FIRST_RESID 19 DATA SEQUENCE AGVENVTELK KNFNRHLHFT LVKDRNVATP RDYYFALAHT VRDHLVGRWI DATA SEQUENCE RTQQHYYEKD PKRIYYLSLE FYMGRTLQNT MVNLALENAC DEATYQLGLD DATA SEQUENCE MEELEEIEED AGLGNGGLGR LAACFLDSMA TLGLAAYGYG IRYEFGIFNQ DATA SEQUENCE KICGGWQMEE ADDWLRYGNP WEKARPEFTL PVHFYGRVEH TSQGAKWVDT DATA SEQUENCE QVVLAMPYDT PVPGYRNNVV NTMRLWSAKA PNDFNLKDFN VGGYIQAVLD DATA SEQUENCE RNLAENISRV LYPNDNFFEG KELRLKQEYF VVAATLQDII RRFKSSKFGC DATA SEQUENCE RDPVRTNFDA FPDKVAIQLN DTHPSLAIPE LMRVLVDLER LDWDKAWEVT DATA SEQUENCE VKTCAYTNHT VIPEALERWP VHLLETLLPR HLQIIYEINQ RFLNRVAAAF DATA SEQUENCE PGDVDRLRRM SLVEEGAVKR INMAHLCIAG SHAVNGVARI HSEILKKTIF DATA SEQUENCE KDFYELEPHK FQNKTNGITP RRWLVLCNPG LAEIIAERIG EEYISDLDQL DATA SEQUENCE RKLLSYVDDE AFIRDVAKVK QENKLKFAAY LEREYKVHIN PNSLFDVQVK DATA SEQUENCE RIHEYKRQLL NCLHVITLYN RIKKEPNKFV VPRTVMIGGK AAPGYHMAKM DATA SEQUENCE IIKLITAIGD VVNHDPVVGD RLRVIFLENY RVSLAEKVIP AADLSEQIST DATA SEQUENCE AGTEASGTGN MKFMLNGALT IGTMDGANVE MAEEAGEENF FIFGMRVEDV DATA SEQUENCE DRLDQRGYNA QEYYDRIPEL RQIIEQLSSG FFSPKQPDLF KDIVNMLMHH DATA SEQUENCE DRFKVFADYE EYVKCQERVS ALYKNPREWT RMVIRNIATS GKFSSDRTIA DATA SEQUENCE QYAREIWGVE PSRQRLPAPD EKI 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.586 177.584 0.004 0.000 1.274 19 A CA 0.000 52.041 52.037 0.007 0.000 0.836 19 A CB 0.000 19.008 19.000 0.013 0.000 0.831 20 G N -1.352 107.452 108.800 0.006 0.000 2.372 20 G HA2 0.430 4.380 3.960 -0.017 0.000 0.207 20 G HA3 0.430 4.380 3.960 -0.017 0.000 0.207 20 G C 0.389 175.294 174.900 0.009 0.000 1.473 20 G CA 0.486 45.590 45.100 0.007 0.000 1.183 20 G HN 1.925 nan 8.290 nan 0.000 0.607 21 V N 1.165 121.084 119.914 0.009 0.000 2.285 21 V HA -0.310 3.800 4.120 -0.017 0.000 0.260 21 V C 2.683 178.786 176.094 0.014 0.000 1.089 21 V CA 3.208 65.513 62.300 0.009 0.000 1.082 21 V CB 0.004 31.831 31.823 0.006 0.000 0.681 21 V HN 0.789 nan 8.190 nan 0.000 0.452 22 E N -0.603 119.608 120.200 0.017 0.000 2.015 22 E HA -0.196 4.144 4.350 -0.017 0.000 0.191 22 E C 2.035 178.655 176.600 0.033 0.000 0.991 22 E CA 1.719 58.133 56.400 0.024 0.000 0.802 22 E CB -0.496 29.218 29.700 0.023 0.000 0.759 22 E HN 0.782 nan 8.360 nan 0.000 0.447 23 N N -0.097 118.623 118.700 0.034 0.000 2.091 23 N HA -0.193 4.537 4.740 -0.017 0.000 0.193 23 N C 1.902 177.434 175.510 0.036 0.000 1.021 23 N CA 1.612 54.688 53.050 0.044 0.000 0.862 23 N CB 0.028 38.533 38.487 0.030 0.000 1.018 23 N HN -0.051 nan 8.380 nan 0.000 0.429 24 V N 0.448 120.375 119.914 0.022 0.000 2.490 24 V HA -0.203 3.907 4.120 -0.017 0.000 0.250 24 V C 2.021 178.131 176.094 0.027 0.000 1.061 24 V CA 1.786 64.095 62.300 0.016 0.000 1.064 24 V CB -0.775 31.052 31.823 0.008 0.000 0.670 24 V HN 0.461 nan 8.190 nan 0.000 0.461 25 T N -0.830 113.743 114.554 0.031 0.000 2.777 25 T HA -0.197 4.143 4.350 -0.017 0.000 0.266 25 T C 1.830 176.564 174.700 0.056 0.000 1.040 25 T CA 1.435 63.557 62.100 0.037 0.000 1.141 25 T CB -0.190 68.695 68.868 0.029 0.000 0.868 25 T HN 0.528 nan 8.240 nan 0.000 0.444 26 E N 0.548 120.789 120.200 0.068 0.000 2.033 26 E HA -0.159 4.181 4.350 -0.017 0.000 0.199 26 E C 2.149 178.827 176.600 0.129 0.000 1.011 26 E CA 1.093 57.552 56.400 0.099 0.000 0.815 26 E CB -0.142 29.630 29.700 0.120 0.000 0.755 26 E HN 0.186 nan 8.360 nan 0.000 0.451 27 L N 1.420 122.712 121.223 0.115 0.000 2.042 27 L HA -0.208 4.122 4.340 -0.017 0.000 0.210 27 L C 2.266 179.227 176.870 0.151 0.000 1.076 27 L CA 1.770 56.681 54.840 0.118 0.000 0.749 27 L CB -0.619 41.462 42.059 0.037 0.000 0.893 27 L HN 0.077 nan 8.230 nan 0.000 0.432 28 K N -1.006 119.455 120.400 0.102 0.000 2.057 28 K HA -0.176 4.134 4.320 -0.017 0.000 0.206 28 K C 2.153 178.863 176.600 0.184 0.000 1.050 28 K CA 0.986 57.338 56.287 0.109 0.000 0.935 28 K CB -0.136 32.394 32.500 0.051 0.000 0.715 28 K HN 0.212 nan 8.250 nan 0.000 0.439 29 K N 0.970 121.457 120.400 0.146 0.000 2.002 29 K HA -0.102 4.208 4.320 -0.017 0.000 0.209 29 K C 1.909 178.604 176.600 0.159 0.000 1.048 29 K CA 1.215 57.581 56.287 0.133 0.000 0.930 29 K CB -0.062 32.495 32.500 0.095 0.000 0.714 29 K HN 0.180 nan 8.250 nan 0.000 0.438 30 N N 0.171 118.983 118.700 0.187 0.000 2.188 30 N HA -0.153 4.577 4.740 -0.017 0.000 0.184 30 N C 1.780 177.465 175.510 0.292 0.000 1.018 30 N CA 0.861 54.029 53.050 0.196 0.000 0.858 30 N CB -0.209 38.426 38.487 0.247 0.000 0.989 30 N HN 0.107 nan 8.380 nan 0.000 0.426 31 F N 2.830 122.894 119.950 0.190 0.000 2.095 31 F HA -0.155 4.362 4.527 -0.016 0.000 0.298 31 F C 2.136 178.054 175.800 0.196 0.000 1.104 31 F CA 1.397 59.521 58.000 0.207 0.000 1.232 31 F CB -0.299 38.792 39.000 0.153 0.000 0.987 31 F HN -0.005 nan 8.300 nan 0.000 0.475 32 N N 0.458 119.345 118.700 0.311 0.000 2.120 32 N HA -0.219 4.511 4.740 -0.017 0.000 0.188 32 N C 2.171 177.745 175.510 0.107 0.000 1.024 32 N CA 1.251 54.410 53.050 0.182 0.000 0.852 32 N CB -0.581 38.016 38.487 0.183 0.000 1.003 32 N HN 0.353 nan 8.380 nan 0.000 0.424 33 R N 0.739 121.314 120.500 0.125 0.000 2.073 33 R HA -0.118 4.212 4.340 -0.017 0.000 0.234 33 R C 1.620 178.005 176.300 0.142 0.000 1.134 33 R CA 1.515 57.713 56.100 0.164 0.000 0.952 33 R CB -0.341 30.007 30.300 0.081 0.000 0.850 33 R HN 0.417 nan 8.270 nan 0.000 0.433 34 H N -0.122 119.000 119.070 0.087 0.000 2.428 34 H HA -0.084 4.462 4.556 -0.017 0.000 0.296 34 H C 1.820 177.096 175.328 -0.086 0.000 1.062 34 H CA 1.191 57.237 56.048 -0.003 0.000 1.350 34 H CB 0.064 29.795 29.762 -0.051 0.000 1.403 34 H HN 0.110 nan 8.280 nan 0.000 0.533 35 L N 0.020 121.217 121.223 -0.044 0.000 2.042 35 L HA -0.196 4.134 4.340 -0.017 0.000 0.210 35 L C 2.235 179.056 176.870 -0.083 0.000 1.076 35 L CA 1.802 56.568 54.840 -0.123 0.000 0.749 35 L CB -0.419 41.539 42.059 -0.169 0.000 0.893 35 L HN 0.298 nan 8.230 nan 0.000 0.432 36 H N -1.352 117.603 119.070 -0.192 0.000 2.368 36 H HA -0.132 4.414 4.556 -0.017 0.000 0.303 36 H C 1.908 176.985 175.328 -0.419 0.000 1.043 36 H CA 2.445 58.265 56.048 -0.381 0.000 1.238 36 H CB -0.581 28.849 29.762 -0.553 0.000 1.417 36 H HN 0.225 nan 8.280 nan 0.000 0.548 37 F N 0.238 120.141 119.950 -0.079 0.000 2.065 37 F HA -0.217 4.300 4.527 -0.017 0.000 0.298 37 F C 2.851 178.571 175.800 -0.134 0.000 1.112 37 F CA 1.895 59.813 58.000 -0.138 0.000 1.212 37 F CB -1.047 37.906 39.000 -0.079 0.000 0.975 37 F HN 0.253 nan 8.300 nan 0.000 0.476 38 T N -0.043 114.560 114.554 0.081 0.000 2.735 38 T HA -0.051 4.289 4.350 -0.017 0.000 0.256 38 T C 1.956 176.595 174.700 -0.101 0.000 1.042 38 T CA 1.136 63.216 62.100 -0.034 0.000 1.147 38 T CB -0.547 68.277 68.868 -0.073 0.000 0.865 38 T HN 0.023 nan 8.240 nan 0.000 0.421 39 L N 0.682 121.845 121.223 -0.099 0.000 2.341 39 L HA 0.199 4.529 4.340 -0.017 0.000 0.214 39 L C 0.722 177.505 176.870 -0.145 0.000 1.115 39 L CA 0.316 55.079 54.840 -0.128 0.000 0.820 39 L CB -0.257 41.730 42.059 -0.120 0.000 0.944 39 L HN -0.003 nan 8.230 nan 0.000 0.452 40 V N 0.085 119.890 119.914 -0.182 0.000 6.110 40 V HA -0.310 3.800 4.120 -0.017 0.000 0.322 40 V C 0.116 176.104 176.094 -0.176 0.000 0.518 40 V CA 0.915 63.080 62.300 -0.226 0.000 0.655 40 V CB -1.915 29.805 31.823 -0.173 0.000 0.283 40 V HN 0.446 nan 8.190 nan 0.000 0.990 41 K N -0.012 120.290 120.400 -0.163 0.000 2.480 41 K HA 0.755 5.065 4.320 -0.017 0.000 0.258 41 K C -0.761 175.796 176.600 -0.072 0.000 0.990 41 K CA -0.698 55.519 56.287 -0.117 0.000 0.857 41 K CB 2.433 34.852 32.500 -0.135 0.000 1.384 41 K HN 0.340 nan 8.250 nan 0.000 0.446 42 D N -0.592 119.782 120.400 -0.043 0.000 2.433 42 D HA 0.293 4.923 4.640 -0.017 0.000 0.236 42 D C 0.262 176.573 176.300 0.018 0.000 1.026 42 D CA -0.538 53.466 54.000 0.006 0.000 0.884 42 D CB 1.494 42.303 40.800 0.015 0.000 1.384 42 D HN 0.398 nan 8.370 nan 0.000 0.477 43 R N 1.530 122.071 120.500 0.068 0.000 2.303 43 R HA -0.026 4.304 4.340 -0.017 0.000 0.225 43 R C 0.715 177.089 176.300 0.122 0.000 1.114 43 R CA 1.534 57.718 56.100 0.140 0.000 1.007 43 R CB -0.419 29.970 30.300 0.147 0.000 0.861 43 R HN 0.419 nan 8.270 nan 0.000 0.471 44 N N -1.001 117.740 118.700 0.068 0.000 2.353 44 N HA -0.032 4.698 4.740 -0.017 0.000 0.185 44 N C 0.618 176.153 175.510 0.041 0.000 1.098 44 N CA 0.718 53.801 53.050 0.056 0.000 0.872 44 N CB 0.606 39.114 38.487 0.035 0.000 0.970 44 N HN 0.169 nan 8.380 nan 0.000 0.467 45 V N -0.188 119.738 119.914 0.021 0.000 3.497 45 V HA 0.393 4.503 4.120 -0.017 0.000 0.272 45 V C 0.374 176.437 176.094 -0.051 0.000 1.474 45 V CA -0.043 62.252 62.300 -0.008 0.000 1.025 45 V CB 0.445 32.256 31.823 -0.019 0.000 0.820 45 V HN 0.079 nan 8.190 nan 0.000 0.437 46 A N 1.476 124.226 122.820 -0.117 0.000 2.483 46 A HA 0.515 4.825 4.320 -0.017 0.000 0.238 46 A C 0.637 178.066 177.584 -0.258 0.000 1.070 46 A CA 0.876 52.705 52.037 -0.348 0.000 0.770 46 A CB -0.145 18.370 19.000 -0.807 0.000 1.008 46 A HN 0.704 nan 8.150 nan 0.000 0.497 47 T N 0.209 114.616 114.554 -0.245 0.000 2.949 47 T HA 0.571 4.911 4.350 -0.017 0.000 0.287 47 T C -2.258 172.492 174.700 0.084 0.000 1.034 47 T CA -1.729 60.368 62.100 -0.006 0.000 1.018 47 T CB 1.246 70.124 68.868 0.015 0.000 1.135 47 T HN 0.277 nan 8.240 nan 0.000 0.532 48 P HA -0.112 nan 4.420 nan 0.000 0.217 48 P C 1.590 179.060 177.300 0.284 0.000 1.148 48 P CA 0.888 64.224 63.100 0.393 0.000 0.828 48 P CB 0.066 31.894 31.700 0.213 0.000 0.783 49 R N 0.252 120.849 120.500 0.162 0.000 2.081 49 R HA -0.157 4.173 4.340 -0.017 0.000 0.235 49 R C 1.610 178.107 176.300 0.328 0.000 1.131 49 R CA 1.965 58.184 56.100 0.199 0.000 0.960 49 R CB -0.771 29.590 30.300 0.102 0.000 0.856 49 R HN 0.087 nan 8.270 nan 0.000 0.436 50 D N -0.244 120.235 120.400 0.132 0.000 2.097 50 D HA -0.190 4.440 4.640 -0.017 0.000 0.195 50 D C 1.856 178.182 176.300 0.044 0.000 0.989 50 D CA 1.372 55.386 54.000 0.024 0.000 0.827 50 D CB -0.476 40.145 40.800 -0.299 0.000 0.966 50 D HN 0.292 nan 8.370 nan 0.000 0.456 51 Y N 0.407 120.817 120.300 0.183 0.000 2.097 51 Y HA -0.258 4.282 4.550 -0.017 0.000 0.282 51 Y C 2.414 178.485 175.900 0.284 0.000 1.152 51 Y CA 0.753 59.026 58.100 0.288 0.000 1.136 51 Y CB -1.318 37.352 38.460 0.350 0.000 0.975 51 Y HN 0.076 nan 8.280 nan 0.000 0.498 52 Y N -0.330 120.123 120.300 0.255 0.000 2.053 52 Y HA -0.342 4.198 4.550 -0.017 0.000 0.277 52 Y C 2.112 177.995 175.900 -0.029 0.000 1.159 52 Y CA 1.525 59.663 58.100 0.064 0.000 1.125 52 Y CB -1.269 37.109 38.460 -0.136 0.000 0.969 52 Y HN 0.043 nan 8.280 nan 0.000 0.492 53 F N 0.280 119.943 119.950 -0.478 0.000 2.171 53 F HA -0.143 4.374 4.527 -0.016 0.000 0.300 53 F C 2.654 178.225 175.800 -0.381 0.000 1.090 53 F CA 1.477 59.114 58.000 -0.606 0.000 1.293 53 F CB -1.135 37.741 39.000 -0.207 0.000 1.013 53 F HN 0.232 nan 8.300 nan 0.000 0.486 54 A N -0.217 122.562 122.820 -0.068 0.000 1.898 54 A HA -0.136 4.174 4.320 -0.017 0.000 0.216 54 A C 2.281 179.836 177.584 -0.048 0.000 1.181 54 A CA 1.285 53.200 52.037 -0.205 0.000 0.620 54 A CB -0.975 17.587 19.000 -0.730 0.000 0.819 54 A HN 0.418 nan 8.150 nan 0.000 0.442 55 L N -0.721 120.601 121.223 0.165 0.000 2.056 55 L HA -0.147 4.183 4.340 -0.017 0.000 0.207 55 L C 2.878 179.748 176.870 0.000 0.000 1.078 55 L CA 1.503 56.507 54.840 0.274 0.000 0.749 55 L CB -0.590 41.660 42.059 0.318 0.000 0.901 55 L HN 0.431 nan 8.230 nan 0.000 0.433 56 A N -0.475 122.162 122.820 -0.305 0.000 1.873 56 A HA -0.326 3.984 4.320 -0.017 0.000 0.218 56 A C 1.859 179.121 177.584 -0.537 0.000 1.193 56 A CA 2.179 53.909 52.037 -0.511 0.000 0.629 56 A CB -1.192 17.174 19.000 -1.057 0.000 0.826 56 A HN 0.658 nan 8.150 nan 0.000 0.447 57 H N -0.978 117.801 119.070 -0.486 0.000 2.491 57 H HA -0.038 4.508 4.556 -0.017 0.000 0.290 57 H C 2.173 177.267 175.328 -0.390 0.000 1.050 57 H CA 1.580 57.271 56.048 -0.595 0.000 1.309 57 H CB 0.051 29.215 29.762 -0.997 0.000 1.392 57 H HN 0.525 nan 8.280 nan 0.000 0.554 58 T N -0.621 113.920 114.554 -0.021 0.000 2.851 58 T HA -0.092 4.248 4.350 -0.017 0.000 0.262 58 T C 2.267 177.121 174.700 0.257 0.000 1.043 58 T CA 0.997 63.243 62.100 0.242 0.000 1.140 58 T CB -0.275 68.793 68.868 0.333 0.000 0.872 58 T HN 0.099 nan 8.240 nan 0.000 0.446 59 V N 2.160 122.172 119.914 0.164 0.000 2.343 59 V HA -0.177 3.933 4.120 -0.017 0.000 0.247 59 V C 2.716 178.986 176.094 0.294 0.000 1.051 59 V CA 1.644 64.061 62.300 0.197 0.000 1.036 59 V CB -0.698 31.260 31.823 0.225 0.000 0.654 59 V HN 0.398 nan 8.190 nan 0.000 0.451 60 R N 0.376 121.021 120.500 0.242 0.000 2.103 60 R HA -0.232 4.098 4.340 -0.017 0.000 0.242 60 R C 1.932 178.383 176.300 0.252 0.000 1.142 60 R CA 2.301 58.551 56.100 0.249 0.000 0.960 60 R CB -0.588 29.722 30.300 0.017 0.000 0.858 60 R HN 0.519 nan 8.270 nan 0.000 0.439 61 D N 0.088 120.644 120.400 0.260 0.000 2.123 61 D HA -0.162 4.468 4.640 -0.017 0.000 0.196 61 D C 1.790 178.170 176.300 0.133 0.000 0.992 61 D CA 1.423 55.549 54.000 0.209 0.000 0.833 61 D CB -0.663 40.264 40.800 0.213 0.000 0.954 61 D HN 0.470 nan 8.370 nan 0.000 0.455 62 H N -0.012 119.136 119.070 0.130 0.000 2.518 62 H HA -0.026 4.520 4.556 -0.017 0.000 0.292 62 H C 1.958 177.341 175.328 0.093 0.000 1.068 62 H CA 0.543 56.650 56.048 0.098 0.000 1.275 62 H CB -0.158 29.653 29.762 0.081 0.000 1.375 62 H HN 0.139 nan 8.280 nan 0.000 0.563 63 L N 0.082 121.432 121.223 0.211 0.000 2.416 63 L HA -0.019 4.311 4.340 -0.017 0.000 0.216 63 L C 1.691 178.695 176.870 0.225 0.000 1.098 63 L CA 0.218 55.163 54.840 0.177 0.000 0.840 63 L CB 0.106 42.271 42.059 0.177 0.000 0.981 63 L HN 0.167 nan 8.230 nan 0.000 0.462 64 V N -1.585 118.465 119.914 0.227 0.000 2.307 64 V HA -0.085 4.025 4.120 -0.017 0.000 0.245 64 V C 2.566 178.757 176.094 0.161 0.000 1.045 64 V CA 1.691 64.140 62.300 0.248 0.000 1.024 64 V CB -2.146 29.782 31.823 0.176 0.000 0.651 64 V HN 0.437 nan 8.190 nan 0.000 0.449 65 G N 0.085 108.936 108.800 0.085 0.000 2.442 65 G HA2 -0.211 3.739 3.960 -0.017 0.000 0.219 65 G HA3 -0.211 3.739 3.960 -0.017 0.000 0.219 65 G C 1.802 176.734 174.900 0.053 0.000 1.141 65 G CA 0.892 46.016 45.100 0.040 0.000 0.763 65 G HN 0.489 nan 8.290 nan 0.000 0.554 66 R N -1.303 119.245 120.500 0.080 0.000 2.066 66 R HA -0.079 4.251 4.340 -0.017 0.000 0.232 66 R C 2.282 178.661 176.300 0.131 0.000 1.131 66 R CA 1.217 57.356 56.100 0.064 0.000 0.955 66 R CB -0.455 29.877 30.300 0.052 0.000 0.851 66 R HN 0.484 nan 8.270 nan 0.000 0.432 67 W N 1.956 123.238 121.300 -0.031 0.000 2.354 67 W HA -0.103 4.548 4.660 -0.016 0.000 0.315 67 W C 1.790 178.284 176.519 -0.041 0.000 1.206 67 W CA 0.960 58.286 57.345 -0.031 0.000 1.290 67 W CB -0.693 28.769 29.460 0.003 0.000 1.152 67 W HN -0.050 nan 8.180 nan 0.000 0.489 68 I N 0.135 120.728 120.570 0.038 0.000 2.208 68 I HA -0.341 3.819 4.170 -0.017 0.000 0.245 68 I C 2.712 178.801 176.117 -0.047 0.000 1.097 68 I CA 1.746 62.993 61.300 -0.089 0.000 1.363 68 I CB -0.665 37.286 38.000 -0.080 0.000 1.051 68 I HN -0.069 nan 8.210 nan 0.000 0.413 69 R N 0.314 120.804 120.500 -0.017 0.000 2.073 69 R HA -0.149 4.181 4.340 -0.017 0.000 0.234 69 R C 2.362 178.623 176.300 -0.066 0.000 1.134 69 R CA 2.103 58.187 56.100 -0.028 0.000 0.952 69 R CB -0.280 30.004 30.300 -0.027 0.000 0.850 69 R HN 0.301 nan 8.270 nan 0.000 0.433 70 T N 1.090 115.577 114.554 -0.110 0.000 2.607 70 T HA -0.194 4.146 4.350 -0.017 0.000 0.267 70 T C 1.754 176.192 174.700 -0.436 0.000 1.049 70 T CA 1.356 63.267 62.100 -0.315 0.000 1.162 70 T CB -0.229 68.504 68.868 -0.225 0.000 0.863 70 T HN 0.281 nan 8.240 nan 0.000 0.424 71 Q N 0.788 120.490 119.800 -0.163 0.000 2.030 71 Q HA -0.166 4.164 4.340 -0.017 0.000 0.204 71 Q C 2.469 178.485 176.000 0.026 0.000 0.986 71 Q CA 1.657 57.444 55.803 -0.027 0.000 0.843 71 Q CB -0.714 28.037 28.738 0.022 0.000 0.904 71 Q HN 0.506 nan 8.270 nan 0.000 0.420 72 Q N 0.638 120.443 119.800 0.007 0.000 2.045 72 Q HA -0.236 4.094 4.340 -0.017 0.000 0.206 72 Q C 1.949 178.029 176.000 0.133 0.000 0.991 72 Q CA 2.373 58.216 55.803 0.067 0.000 0.851 72 Q CB -0.718 28.036 28.738 0.026 0.000 0.911 72 Q HN 0.607 nan 8.270 nan 0.000 0.418 73 H N -0.985 118.056 119.070 -0.048 0.000 2.321 73 H HA -0.216 4.330 4.556 -0.017 0.000 0.295 73 H C 1.384 176.746 175.328 0.058 0.000 1.102 73 H CA 2.522 58.540 56.048 -0.049 0.000 1.266 73 H CB -0.433 29.217 29.762 -0.187 0.000 1.363 73 H HN 0.432 nan 8.280 nan 0.000 0.492 74 Y N -0.984 119.379 120.300 0.105 0.000 2.274 74 Y HA -0.193 4.347 4.550 -0.017 0.000 0.290 74 Y C 2.428 178.347 175.900 0.032 0.000 1.145 74 Y CA 0.913 59.040 58.100 0.044 0.000 1.203 74 Y CB -1.392 37.142 38.460 0.123 0.000 0.984 74 Y HN 0.353 nan 8.280 nan 0.000 0.533 75 Y N 2.083 122.455 120.300 0.119 0.000 2.030 75 Y HA -0.312 4.228 4.550 -0.017 0.000 0.274 75 Y C 2.249 178.152 175.900 0.004 0.000 1.153 75 Y CA 2.340 60.476 58.100 0.060 0.000 1.115 75 Y CB -0.594 37.885 38.460 0.031 0.000 0.969 75 Y HN 0.400 nan 8.280 nan 0.000 0.488 76 E N -0.812 119.227 120.200 -0.268 0.000 2.385 76 E HA -0.056 4.284 4.350 -0.017 0.000 0.194 76 E C 1.999 178.444 176.600 -0.258 0.000 1.013 76 E CA 0.570 56.751 56.400 -0.366 0.000 0.866 76 E CB -0.160 29.482 29.700 -0.097 0.000 0.832 76 E HN 0.334 nan 8.360 nan 0.000 0.500 77 K N 1.590 121.853 120.400 -0.228 0.000 2.314 77 K HA -0.080 4.230 4.320 -0.017 0.000 0.198 77 K C -0.140 176.367 176.600 -0.155 0.000 1.045 77 K CA 0.744 56.895 56.287 -0.226 0.000 0.988 77 K CB -0.095 32.153 32.500 -0.420 0.000 0.783 77 K HN 0.044 nan 8.250 nan 0.000 0.484 78 D N 1.752 122.071 120.400 -0.134 0.000 2.886 78 D HA -0.121 4.509 4.640 -0.017 0.000 0.221 78 D C -2.306 173.943 176.300 -0.086 0.000 1.227 78 D CA 0.046 53.979 54.000 -0.111 0.000 0.746 78 D CB 0.035 40.717 40.800 -0.196 0.000 0.935 78 D HN 0.205 nan 8.370 nan 0.000 0.399 79 P HA 0.179 nan 4.420 nan 0.000 0.279 79 P C -0.278 176.977 177.300 -0.074 0.000 1.276 79 P CA -0.728 62.332 63.100 -0.066 0.000 0.801 79 P CB 0.686 32.343 31.700 -0.073 0.000 1.127 80 K N 0.806 121.165 120.400 -0.068 0.000 2.326 80 K HA 0.141 4.450 4.320 -0.017 0.000 0.275 80 K C 0.117 176.649 176.600 -0.114 0.000 1.018 80 K CA -0.350 55.898 56.287 -0.066 0.000 0.962 80 K CB 0.430 32.905 32.500 -0.042 0.000 0.953 80 K HN 0.310 nan 8.250 nan 0.000 0.475 81 R N 3.870 124.302 120.500 -0.112 0.000 2.732 81 R HA 0.456 4.786 4.340 -0.017 0.000 0.278 81 R C -0.357 175.750 176.300 -0.321 0.000 0.976 81 R CA -0.828 55.140 56.100 -0.221 0.000 0.963 81 R CB 0.776 30.958 30.300 -0.196 0.000 1.150 81 R HN 0.571 nan 8.270 nan 0.000 0.478 82 I N 2.079 122.382 120.570 -0.444 0.000 2.378 82 I HA 0.299 4.459 4.170 -0.017 0.000 0.291 82 I C -0.881 175.003 176.117 -0.388 0.000 0.992 82 I CA -0.822 60.173 61.300 -0.507 0.000 1.154 82 I CB 1.068 38.575 38.000 -0.822 0.000 1.315 82 I HN 0.364 nan 8.210 nan 0.000 0.448 83 Y N 5.616 125.896 120.300 -0.033 0.000 2.334 83 Y HA 0.304 4.844 4.550 -0.016 0.000 0.336 83 Y C -0.613 175.393 175.900 0.178 0.000 0.960 83 Y CA -0.637 57.571 58.100 0.179 0.000 1.164 83 Y CB 1.092 39.616 38.460 0.107 0.000 1.155 83 Y HN 0.397 nan 8.280 nan 0.000 0.478 84 Y N 5.007 125.495 120.300 0.314 0.000 2.518 84 Y HA 0.398 4.938 4.550 -0.016 0.000 0.344 84 Y C -0.852 175.323 175.900 0.459 0.000 0.982 84 Y CA -0.821 57.473 58.100 0.324 0.000 1.234 84 Y CB 0.302 38.960 38.460 0.330 0.000 1.114 84 Y HN 0.451 nan 8.280 nan 0.000 0.515 85 L N 5.306 126.548 121.223 0.032 0.000 2.265 85 L HA 0.417 4.747 4.340 -0.017 0.000 0.288 85 L C 0.008 176.865 176.870 -0.021 0.000 1.058 85 L CA -0.234 54.700 54.840 0.156 0.000 0.809 85 L CB 1.076 43.195 42.059 0.100 0.000 1.179 85 L HN 0.584 nan 8.230 nan 0.000 0.429 86 S N 2.586 118.379 115.700 0.154 0.000 2.536 86 S HA 0.443 4.903 4.470 -0.017 0.000 0.271 86 S C 0.078 174.794 174.600 0.193 0.000 1.134 86 S CA -0.542 57.654 58.200 -0.007 0.000 0.897 86 S CB 1.680 64.625 63.200 -0.426 0.000 1.094 86 S HN 0.510 nan 8.310 nan 0.000 0.473 87 L N 2.757 124.120 121.223 0.233 0.000 2.591 87 L HA 0.459 4.789 4.340 -0.017 0.000 0.228 87 L C 0.365 177.461 176.870 0.376 0.000 1.133 87 L CA 0.890 55.943 54.840 0.355 0.000 0.880 87 L CB -0.020 42.263 42.059 0.373 0.000 1.033 87 L HN 0.646 nan 8.230 nan 0.000 0.450 88 E N -1.232 119.068 120.200 0.167 0.000 2.275 88 E HA 0.392 4.732 4.350 -0.017 0.000 0.270 88 E C -1.431 175.104 176.600 -0.109 0.000 0.882 88 E CA -0.466 56.012 56.400 0.129 0.000 0.758 88 E CB 1.940 31.675 29.700 0.059 0.000 1.195 88 E HN -0.189 nan 8.360 nan 0.000 0.419 89 F N 2.371 122.428 119.950 0.178 0.000 2.771 89 F HA 0.170 4.687 4.527 -0.017 0.000 0.365 89 F C -0.850 175.040 175.800 0.149 0.000 1.169 89 F CA -0.647 57.444 58.000 0.152 0.000 1.093 89 F CB 0.894 39.976 39.000 0.137 0.000 1.363 89 F HN 0.490 nan 8.300 nan 0.000 0.496 90 Y N 5.176 125.545 120.300 0.116 0.000 2.817 90 Y HA 0.228 4.768 4.550 -0.016 0.000 0.339 90 Y C 1.091 177.006 175.900 0.024 0.000 1.281 90 Y CA -1.133 56.989 58.100 0.036 0.000 1.564 90 Y CB 0.247 38.712 38.460 0.009 0.000 1.628 90 Y HN 0.502 nan 8.280 nan 0.000 0.489 91 M N 0.799 120.508 119.600 0.180 0.000 2.296 91 M HA 0.036 4.506 4.480 -0.017 0.000 0.265 91 M C 1.608 177.868 176.300 -0.067 0.000 1.064 91 M CA 1.154 56.473 55.300 0.032 0.000 1.109 91 M CB -1.400 31.206 32.600 0.010 0.000 1.396 91 M HN 0.630 nan 8.290 nan 0.000 0.430 92 G N 1.058 109.826 108.800 -0.054 0.000 2.569 92 G HA2 -0.279 3.671 3.960 -0.017 0.000 0.259 92 G HA3 -0.279 3.671 3.960 -0.017 0.000 0.259 92 G C -0.240 174.603 174.900 -0.095 0.000 1.263 92 G CA -0.205 44.827 45.100 -0.114 0.000 0.928 92 G HN 0.465 nan 8.290 nan 0.000 0.572 93 R N -0.717 119.709 120.500 -0.123 0.000 2.560 93 R HA 0.576 4.905 4.340 -0.017 0.000 0.270 93 R C 0.937 177.109 176.300 -0.213 0.000 1.074 93 R CA 0.239 56.276 56.100 -0.106 0.000 1.140 93 R CB 0.714 30.965 30.300 -0.082 0.000 1.073 93 R HN 0.514 nan 8.270 nan 0.000 0.527 94 T N 0.962 115.327 114.554 -0.315 0.000 2.969 94 T HA -0.006 4.334 4.350 -0.017 0.000 0.250 94 T C 1.443 175.750 174.700 -0.654 0.000 1.021 94 T CA -0.171 61.549 62.100 -0.634 0.000 1.003 94 T CB 0.142 68.180 68.868 -1.384 0.000 1.040 94 T HN 0.299 nan 8.240 nan 0.000 0.492 95 L N 2.041 123.072 121.223 -0.321 0.000 1.989 95 L HA -0.062 4.268 4.340 -0.017 0.000 0.211 95 L C 2.443 179.274 176.870 -0.064 0.000 1.071 95 L CA 2.011 56.832 54.840 -0.031 0.000 0.749 95 L CB -0.737 41.526 42.059 0.340 0.000 0.890 95 L HN 0.202 nan 8.230 nan 0.000 0.431 96 Q N -0.739 119.020 119.800 -0.069 0.000 2.030 96 Q HA -0.267 4.063 4.340 -0.017 0.000 0.204 96 Q C 2.260 178.194 176.000 -0.110 0.000 0.986 96 Q CA 2.020 57.779 55.803 -0.073 0.000 0.843 96 Q CB -0.340 28.349 28.738 -0.082 0.000 0.904 96 Q HN 0.681 nan 8.270 nan 0.000 0.420 97 N N -1.025 117.572 118.700 -0.173 0.000 2.149 97 N HA -0.143 4.587 4.740 -0.017 0.000 0.188 97 N C 1.353 176.760 175.510 -0.173 0.000 1.019 97 N CA 1.752 54.691 53.050 -0.186 0.000 0.857 97 N CB 0.074 38.415 38.487 -0.243 0.000 0.997 97 N HN 0.228 nan 8.380 nan 0.000 0.426 98 T N 0.951 115.371 114.554 -0.224 0.000 2.857 98 T HA -0.003 4.337 4.350 -0.017 0.000 0.266 98 T C 2.021 176.671 174.700 -0.084 0.000 1.048 98 T CA 0.825 62.819 62.100 -0.177 0.000 1.139 98 T CB -0.009 68.712 68.868 -0.246 0.000 0.874 98 T HN 0.252 nan 8.240 nan 0.000 0.455 99 M N 0.476 120.039 119.600 -0.061 0.000 2.159 99 M HA -0.067 4.403 4.480 -0.017 0.000 0.263 99 M C 2.400 178.677 176.300 -0.038 0.000 1.063 99 M CA 1.091 56.370 55.300 -0.035 0.000 1.110 99 M CB -0.503 32.084 32.600 -0.021 0.000 1.374 99 M HN 0.076 nan 8.290 nan 0.000 0.411 100 V N 0.757 120.651 119.914 -0.033 0.000 2.261 100 V HA -0.295 3.815 4.120 -0.017 0.000 0.246 100 V C 1.748 177.854 176.094 0.019 0.000 1.047 100 V CA 2.239 64.546 62.300 0.012 0.000 1.015 100 V CB -0.799 31.036 31.823 0.020 0.000 0.642 100 V HN 0.477 nan 8.190 nan 0.000 0.446 101 N N -0.412 118.292 118.700 0.006 0.000 2.166 101 N HA -0.129 4.601 4.740 -0.017 0.000 0.186 101 N C 1.233 176.663 175.510 -0.134 0.000 1.019 101 N CA 0.994 54.026 53.050 -0.030 0.000 0.856 101 N CB -0.145 38.338 38.487 -0.007 0.000 0.993 101 N HN 0.239 nan 8.380 nan 0.000 0.426 102 L N -0.256 120.912 121.223 -0.091 0.000 2.592 102 L HA 0.363 4.693 4.340 -0.017 0.000 0.227 102 L C 0.684 177.502 176.870 -0.087 0.000 1.127 102 L CA 0.100 54.893 54.840 -0.077 0.000 0.884 102 L CB -0.859 41.187 42.059 -0.021 0.000 1.065 102 L HN 0.174 nan 8.230 nan 0.000 0.457 103 A N -0.866 121.895 122.820 -0.098 0.000 2.872 103 A HA -0.207 4.103 4.320 -0.017 0.000 0.273 103 A C 1.150 178.701 177.584 -0.055 0.000 1.442 103 A CA 0.880 52.867 52.037 -0.082 0.000 0.801 103 A CB -1.983 16.948 19.000 -0.115 0.000 1.031 103 A HN 0.191 nan 8.150 nan 0.000 0.582 104 L N -0.513 120.679 121.223 -0.052 0.000 2.607 104 L HA 0.169 4.499 4.340 -0.017 0.000 0.228 104 L C 1.886 178.730 176.870 -0.043 0.000 1.123 104 L CA 1.668 56.472 54.840 -0.059 0.000 0.890 104 L CB -0.776 41.230 42.059 -0.087 0.000 1.103 104 L HN 0.710 nan 8.230 nan 0.000 0.468 105 E N 0.397 120.578 120.200 -0.031 0.000 2.086 105 E HA -0.276 4.064 4.350 -0.017 0.000 0.200 105 E C 1.725 178.313 176.600 -0.020 0.000 1.012 105 E CA 2.143 58.530 56.400 -0.022 0.000 0.812 105 E CB 0.169 29.860 29.700 -0.016 0.000 0.743 105 E HN 0.577 nan 8.360 nan 0.000 0.453 106 N N -0.685 118.004 118.700 -0.017 0.000 2.080 106 N HA -0.132 4.598 4.740 -0.017 0.000 0.189 106 N C 1.834 177.337 175.510 -0.012 0.000 1.036 106 N CA 0.937 53.981 53.050 -0.011 0.000 0.846 106 N CB -0.176 38.309 38.487 -0.004 0.000 1.015 106 N HN 0.195 nan 8.380 nan 0.000 0.423 107 A N 0.764 123.574 122.820 -0.017 0.000 1.873 107 A HA -0.215 4.094 4.320 -0.017 0.000 0.218 107 A C 2.464 180.033 177.584 -0.026 0.000 1.193 107 A CA 1.378 53.404 52.037 -0.018 0.000 0.629 107 A CB -1.208 17.776 19.000 -0.026 0.000 0.826 107 A HN 0.513 nan 8.150 nan 0.000 0.447 108 C N -0.791 118.487 119.300 -0.036 0.000 2.401 108 C HA -0.129 4.321 4.460 -0.017 0.000 0.276 108 C C 2.492 177.454 174.990 -0.046 0.000 1.233 108 C CA 1.217 60.211 59.018 -0.040 0.000 1.753 108 C CB -1.276 26.448 27.740 -0.026 0.000 2.029 108 C HN 0.643 nan 8.230 nan 0.000 0.478 109 D N 0.229 120.609 120.400 -0.034 0.000 2.097 109 D HA -0.114 4.515 4.640 -0.017 0.000 0.195 109 D C 2.169 178.464 176.300 -0.009 0.000 0.989 109 D CA 1.384 55.361 54.000 -0.038 0.000 0.827 109 D CB -0.269 40.510 40.800 -0.035 0.000 0.966 109 D HN 0.387 nan 8.370 nan 0.000 0.456 110 E N 0.730 120.938 120.200 0.013 0.000 2.001 110 E HA -0.094 4.246 4.350 -0.017 0.000 0.195 110 E C 1.973 178.593 176.600 0.033 0.000 1.002 110 E CA 1.530 57.962 56.400 0.053 0.000 0.819 110 E CB -0.866 28.853 29.700 0.030 0.000 0.769 110 E HN 0.176 nan 8.360 nan 0.000 0.454 111 A N -0.118 122.694 122.820 -0.013 0.000 1.923 111 A HA -0.337 3.973 4.320 -0.017 0.000 0.222 111 A C 2.475 179.993 177.584 -0.109 0.000 1.258 111 A CA 3.845 55.851 52.037 -0.052 0.000 0.670 111 A CB -1.709 17.258 19.000 -0.055 0.000 0.834 111 A HN 0.537 nan 8.150 nan 0.000 0.470 112 T N -4.721 109.750 114.554 -0.138 0.000 2.995 112 T HA -0.118 4.222 4.350 -0.017 0.000 0.269 112 T C 1.788 176.467 174.700 -0.035 0.000 1.091 112 T CA 1.330 63.307 62.100 -0.205 0.000 1.128 112 T CB -0.384 68.344 68.868 -0.233 0.000 0.891 112 T HN 0.385 nan 8.240 nan 0.000 0.492 113 Y N 2.869 123.093 120.300 -0.126 0.000 2.060 113 Y HA -0.106 4.434 4.550 -0.017 0.000 0.276 113 Y C 2.652 178.497 175.900 -0.093 0.000 1.127 113 Y CA 1.413 59.458 58.100 -0.092 0.000 1.104 113 Y CB -1.091 37.333 38.460 -0.061 0.000 0.983 113 Y HN 0.349 nan 8.280 nan 0.000 0.483 114 Q N -0.638 119.193 119.800 0.051 0.000 2.197 114 Q HA -0.225 4.105 4.340 -0.017 0.000 0.207 114 Q C 1.922 177.888 176.000 -0.057 0.000 0.984 114 Q CA 1.761 57.515 55.803 -0.082 0.000 0.869 114 Q CB -0.420 28.278 28.738 -0.066 0.000 0.906 114 Q HN 0.348 nan 8.270 nan 0.000 0.426 115 L N -0.563 120.627 121.223 -0.056 0.000 2.552 115 L HA 0.098 4.428 4.340 -0.017 0.000 0.227 115 L C 0.993 177.820 176.870 -0.071 0.000 1.146 115 L CA 1.044 55.836 54.840 -0.080 0.000 0.858 115 L CB -0.365 41.582 42.059 -0.185 0.000 0.969 115 L HN 0.333 nan 8.230 nan 0.000 0.451 116 G N -0.134 108.663 108.800 -0.005 0.000 2.353 116 G HA2 -0.261 3.689 3.960 -0.017 0.000 0.294 116 G HA3 -0.261 3.689 3.960 -0.017 0.000 0.294 116 G C 0.576 175.467 174.900 -0.014 0.000 1.077 116 G CA 0.445 45.583 45.100 0.064 0.000 1.098 116 G HN 0.361 nan 8.290 nan 0.000 0.511 117 L N -0.717 120.471 121.223 -0.059 0.000 2.749 117 L HA 0.299 4.629 4.340 -0.017 0.000 0.242 117 L C 0.907 177.715 176.870 -0.104 0.000 1.103 117 L CA 0.249 55.011 54.840 -0.130 0.000 0.906 117 L CB 0.334 42.256 42.059 -0.228 0.000 1.228 117 L HN 0.437 nan 8.230 nan 0.000 0.517 118 D N 0.819 121.140 120.400 -0.132 0.000 3.830 118 D HA -0.227 4.403 4.640 -0.017 0.000 0.247 118 D C 0.840 177.094 176.300 -0.078 0.000 1.073 118 D CA 0.410 54.331 54.000 -0.132 0.000 1.116 118 D CB -0.518 40.222 40.800 -0.100 0.000 0.909 118 D HN 0.237 nan 8.370 nan 0.000 0.418 119 M N 1.705 121.253 119.600 -0.086 0.000 2.073 119 M HA -0.237 4.233 4.480 -0.017 0.000 0.258 119 M C 1.890 178.186 176.300 -0.007 0.000 1.070 119 M CA 1.895 57.175 55.300 -0.034 0.000 1.103 119 M CB -0.037 32.535 32.600 -0.047 0.000 1.321 119 M HN 0.391 nan 8.290 nan 0.000 0.405 120 E N -0.028 120.154 120.200 -0.031 0.000 2.147 120 E HA -0.269 4.071 4.350 -0.017 0.000 0.199 120 E C 1.742 178.339 176.600 -0.005 0.000 1.005 120 E CA 1.969 58.360 56.400 -0.016 0.000 0.810 120 E CB -0.304 29.382 29.700 -0.024 0.000 0.736 120 E HN 0.696 nan 8.360 nan 0.000 0.460 121 E N 0.144 120.339 120.200 -0.008 0.000 2.150 121 E HA -0.172 4.168 4.350 -0.017 0.000 0.193 121 E C 2.014 178.625 176.600 0.018 0.000 0.985 121 E CA 0.548 56.948 56.400 0.001 0.000 0.814 121 E CB 0.016 29.716 29.700 0.000 0.000 0.752 121 E HN 0.109 nan 8.360 nan 0.000 0.466 122 L N 1.217 122.469 121.223 0.048 0.000 2.109 122 L HA -0.112 4.217 4.340 -0.017 0.000 0.207 122 L C 2.007 178.908 176.870 0.052 0.000 1.086 122 L CA 1.592 56.499 54.840 0.112 0.000 0.760 122 L CB -0.388 41.782 42.059 0.185 0.000 0.910 122 L HN 0.026 nan 8.230 nan 0.000 0.437 123 E N -0.764 119.457 120.200 0.035 0.000 2.110 123 E HA -0.265 4.075 4.350 -0.017 0.000 0.193 123 E C 1.871 178.411 176.600 -0.101 0.000 0.988 123 E CA 1.040 57.435 56.400 -0.008 0.000 0.804 123 E CB 0.027 29.732 29.700 0.009 0.000 0.745 123 E HN 0.330 nan 8.360 nan 0.000 0.458 124 E N 0.333 120.488 120.200 -0.074 0.000 2.409 124 E HA -0.090 4.250 4.350 -0.017 0.000 0.198 124 E C 1.372 177.884 176.600 -0.146 0.000 1.024 124 E CA 0.491 56.847 56.400 -0.073 0.000 0.861 124 E CB 0.091 29.778 29.700 -0.022 0.000 0.788 124 E HN 0.276 nan 8.360 nan 0.000 0.521 125 I N 0.322 120.736 120.570 -0.260 0.000 2.876 125 I HA -0.038 4.122 4.170 -0.017 0.000 0.264 125 I C 0.998 176.768 176.117 -0.578 0.000 1.204 125 I CA 0.292 61.368 61.300 -0.374 0.000 1.485 125 I CB -0.323 37.456 38.000 -0.367 0.000 1.103 125 I HN 0.151 nan 8.210 nan 0.000 0.446 126 E N 2.624 122.405 120.200 -0.698 0.000 2.344 126 E HA 0.017 4.357 4.350 -0.017 0.000 0.270 126 E C -0.265 176.232 176.600 -0.172 0.000 1.021 126 E CA -0.087 55.972 56.400 -0.569 0.000 0.887 126 E CB 0.772 30.256 29.700 -0.358 0.000 0.997 126 E HN 0.145 nan 8.360 nan 0.000 0.429 127 E N 2.754 122.937 120.200 -0.029 0.000 2.349 127 E HA 0.097 4.437 4.350 -0.017 0.000 0.265 127 E C -1.080 175.607 176.600 0.145 0.000 1.064 127 E CA -0.433 56.032 56.400 0.108 0.000 0.886 127 E CB 0.864 30.708 29.700 0.239 0.000 1.036 127 E HN 0.390 nan 8.360 nan 0.000 0.413 128 D N 0.840 121.306 120.400 0.111 0.000 2.357 128 D HA 0.304 4.934 4.640 -0.017 0.000 0.242 128 D C -0.861 175.477 176.300 0.064 0.000 1.153 128 D CA 0.067 54.105 54.000 0.063 0.000 0.918 128 D CB 1.012 41.830 40.800 0.030 0.000 1.181 128 D HN 0.389 nan 8.370 nan 0.000 0.435 129 A N 1.170 123.972 122.820 -0.031 0.000 2.621 129 A HA 0.505 4.815 4.320 -0.017 0.000 0.329 129 A C 0.939 178.367 177.584 -0.261 0.000 1.458 129 A CA -0.550 51.275 52.037 -0.353 0.000 1.052 129 A CB -0.211 18.661 19.000 -0.214 0.000 1.142 129 A HN 0.528 nan 8.150 nan 0.000 0.523 130 G N 1.410 110.015 108.800 -0.325 0.000 3.530 130 G HA2 0.333 4.283 3.960 -0.017 0.000 0.269 130 G HA3 0.333 4.283 3.960 -0.017 0.000 0.269 130 G C 0.388 175.108 174.900 -0.300 0.000 1.314 130 G CA -0.154 44.852 45.100 -0.156 0.000 1.441 130 G HN 0.544 nan 8.290 nan 0.000 0.595 131 L N 1.208 122.292 121.223 -0.231 0.000 2.762 131 L HA 0.310 4.640 4.340 -0.017 0.000 0.250 131 L C 1.340 178.161 176.870 -0.083 0.000 1.160 131 L CA 0.170 54.972 54.840 -0.063 0.000 0.951 131 L CB -0.633 41.472 42.059 0.077 0.000 1.148 131 L HN 0.273 nan 8.230 nan 0.000 0.424 132 G N -2.330 106.190 108.800 -0.467 0.000 2.663 132 G HA2 0.224 4.174 3.960 -0.017 0.000 0.299 132 G HA3 0.224 4.174 3.960 -0.017 0.000 0.299 132 G C 0.216 174.640 174.900 -0.794 0.000 1.372 132 G CA -0.465 44.358 45.100 -0.461 0.000 0.781 132 G HN -0.097 nan 8.290 nan 0.000 0.491 133 N N -0.903 117.550 118.700 -0.411 0.000 2.407 133 N HA 0.245 4.975 4.740 -0.017 0.000 0.182 133 N C 0.996 176.486 175.510 -0.033 0.000 1.079 133 N CA 1.076 53.972 53.050 -0.256 0.000 0.882 133 N CB 1.786 40.249 38.487 -0.041 0.000 1.106 133 N HN 0.839 nan 8.380 nan 0.000 0.461 134 G N -0.394 108.472 108.800 0.109 0.000 2.649 134 G HA2 0.116 4.066 3.960 -0.017 0.000 0.078 134 G HA3 0.116 4.066 3.960 -0.017 0.000 0.078 134 G C 0.730 175.782 174.900 0.252 0.000 1.110 134 G CA 0.182 45.473 45.100 0.318 0.000 1.269 134 G HN 0.106 nan 8.290 nan 0.000 0.581 135 G N 0.485 109.370 108.800 0.142 0.000 2.476 135 G HA2 -0.115 3.835 3.960 -0.017 0.000 0.218 135 G HA3 -0.115 3.835 3.960 -0.017 0.000 0.218 135 G C 1.890 176.785 174.900 -0.008 0.000 1.164 135 G CA 1.590 46.730 45.100 0.068 0.000 0.768 135 G HN 0.826 nan 8.290 nan 0.000 0.560 136 L N 0.530 121.702 121.223 -0.085 0.000 1.994 136 L HA 0.050 4.380 4.340 -0.017 0.000 0.208 136 L C 2.853 179.629 176.870 -0.157 0.000 1.071 136 L CA 2.016 56.682 54.840 -0.290 0.000 0.745 136 L CB -0.613 41.220 42.059 -0.377 0.000 0.892 136 L HN 0.263 nan 8.230 nan 0.000 0.431 137 G N -0.776 108.006 108.800 -0.030 0.000 2.448 137 G HA2 -0.287 3.662 3.960 -0.017 0.000 0.218 137 G HA3 -0.287 3.662 3.960 -0.017 0.000 0.218 137 G C 1.619 176.588 174.900 0.116 0.000 1.135 137 G CA 0.686 45.798 45.100 0.020 0.000 0.784 137 G HN 0.331 nan 8.290 nan 0.000 0.543 138 R N -0.081 120.521 120.500 0.171 0.000 2.090 138 R HA 0.137 4.467 4.340 -0.017 0.000 0.228 138 R C 2.269 178.582 176.300 0.022 0.000 1.110 138 R CA 0.841 57.011 56.100 0.118 0.000 0.973 138 R CB -0.797 29.535 30.300 0.052 0.000 0.869 138 R HN 0.293 nan 8.270 nan 0.000 0.440 139 L N 0.390 121.560 121.223 -0.089 0.000 1.989 139 L HA -0.070 4.260 4.340 -0.017 0.000 0.211 139 L C 2.196 178.746 176.870 -0.533 0.000 1.071 139 L CA 2.351 57.010 54.840 -0.303 0.000 0.749 139 L CB -0.995 40.850 42.059 -0.356 0.000 0.890 139 L HN 0.293 nan 8.230 nan 0.000 0.431 140 A N -0.551 122.032 122.820 -0.395 0.000 1.892 140 A HA -0.234 4.076 4.320 -0.017 0.000 0.218 140 A C 2.435 179.992 177.584 -0.046 0.000 1.188 140 A CA 2.233 54.073 52.037 -0.328 0.000 0.631 140 A CB -1.327 17.445 19.000 -0.381 0.000 0.822 140 A HN 0.611 nan 8.150 nan 0.000 0.447 141 A N -1.512 121.353 122.820 0.076 0.000 1.972 141 A HA -0.144 4.166 4.320 -0.017 0.000 0.219 141 A C 2.273 179.930 177.584 0.121 0.000 1.169 141 A CA 1.656 53.791 52.037 0.163 0.000 0.635 141 A CB -1.118 17.968 19.000 0.144 0.000 0.810 141 A HN 0.608 nan 8.150 nan 0.000 0.446 142 C N -1.728 117.649 119.300 0.128 0.000 2.457 142 C HA 0.023 4.473 4.460 -0.017 0.000 0.278 142 C C 2.362 177.510 174.990 0.264 0.000 1.309 142 C CA 0.392 59.531 59.018 0.202 0.000 1.735 142 C CB -1.503 26.392 27.740 0.259 0.000 1.992 142 C HN 0.624 nan 8.230 nan 0.000 0.493 143 F N 0.739 120.661 119.950 -0.047 0.000 2.065 143 F HA -0.132 4.385 4.527 -0.017 0.000 0.298 143 F C 2.144 177.883 175.800 -0.103 0.000 1.112 143 F CA 1.239 59.156 58.000 -0.138 0.000 1.212 143 F CB -1.490 37.272 39.000 -0.397 0.000 0.975 143 F HN 0.074 nan 8.300 nan 0.000 0.476 144 L N 0.405 121.703 121.223 0.125 0.000 2.012 144 L HA -0.242 4.088 4.340 -0.017 0.000 0.210 144 L C 2.387 179.270 176.870 0.021 0.000 1.073 144 L CA 1.973 56.846 54.840 0.055 0.000 0.748 144 L CB -1.359 40.743 42.059 0.071 0.000 0.891 144 L HN 0.223 nan 8.230 nan 0.000 0.431 145 D N -1.440 118.981 120.400 0.035 0.000 2.178 145 D HA -0.149 4.481 4.640 -0.017 0.000 0.201 145 D C 1.868 178.181 176.300 0.021 0.000 0.980 145 D CA 1.312 55.317 54.000 0.009 0.000 0.842 145 D CB 0.478 41.277 40.800 -0.003 0.000 0.948 145 D HN 0.305 nan 8.370 nan 0.000 0.472 146 S N -0.243 115.482 115.700 0.041 0.000 2.377 146 S HA -0.010 4.450 4.470 -0.017 0.000 0.223 146 S C 2.070 176.675 174.600 0.009 0.000 1.030 146 S CA 0.474 58.687 58.200 0.021 0.000 0.970 146 S CB -0.048 63.160 63.200 0.012 0.000 0.830 146 S HN 0.293 nan 8.310 nan 0.000 0.473 147 M N 1.016 120.617 119.600 0.003 0.000 2.159 147 M HA -0.110 4.360 4.480 -0.017 0.000 0.263 147 M C 2.294 178.592 176.300 -0.004 0.000 1.063 147 M CA 1.426 56.727 55.300 0.003 0.000 1.110 147 M CB -0.350 32.237 32.600 -0.023 0.000 1.374 147 M HN 0.406 nan 8.290 nan 0.000 0.411 148 A N -0.770 122.044 122.820 -0.009 0.000 1.897 148 A HA -0.112 4.198 4.320 -0.017 0.000 0.215 148 A C 2.106 179.698 177.584 0.013 0.000 1.181 148 A CA 1.923 53.956 52.037 -0.007 0.000 0.620 148 A CB -1.039 17.944 19.000 -0.030 0.000 0.821 148 A HN 0.405 nan 8.150 nan 0.000 0.443 149 T N 0.390 114.958 114.554 0.023 0.000 2.881 149 T HA -0.007 4.333 4.350 -0.017 0.000 0.270 149 T C 1.263 175.987 174.700 0.039 0.000 1.068 149 T CA 1.066 63.193 62.100 0.045 0.000 1.131 149 T CB -0.295 68.608 68.868 0.058 0.000 0.871 149 T HN 0.337 nan 8.240 nan 0.000 0.479 150 L N 0.447 121.689 121.223 0.032 0.000 2.653 150 L HA 0.303 4.633 4.340 -0.017 0.000 0.231 150 L C 1.589 178.483 176.870 0.041 0.000 1.153 150 L CA -0.142 54.719 54.840 0.035 0.000 0.933 150 L CB -0.432 41.648 42.059 0.036 0.000 1.175 150 L HN 0.358 nan 8.230 nan 0.000 0.473 151 G N 0.995 109.820 108.800 0.042 0.000 2.305 151 G HA2 -0.274 3.676 3.960 -0.017 0.000 0.287 151 G HA3 -0.274 3.676 3.960 -0.017 0.000 0.287 151 G C -0.173 174.765 174.900 0.063 0.000 1.036 151 G CA 0.005 45.145 45.100 0.066 0.000 0.887 151 G HN 0.153 nan 8.290 nan 0.000 0.505 152 L N -0.070 121.161 121.223 0.013 0.000 2.379 152 L HA 0.737 5.067 4.340 -0.017 0.000 0.269 152 L C 0.904 177.631 176.870 -0.239 0.000 1.084 152 L CA -0.131 54.669 54.840 -0.066 0.000 0.802 152 L CB 1.537 43.580 42.059 -0.026 0.000 1.175 152 L HN 0.447 nan 8.230 nan 0.000 0.448 153 A N 2.261 124.804 122.820 -0.462 0.000 2.774 153 A HA 0.740 5.050 4.320 -0.017 0.000 0.326 153 A C -0.027 177.147 177.584 -0.682 0.000 1.478 153 A CA -0.191 51.251 52.037 -0.992 0.000 1.099 153 A CB -0.605 17.614 19.000 -1.302 0.000 1.148 153 A HN 0.690 nan 8.150 nan 0.000 0.519 154 A N 1.818 124.262 122.820 -0.628 0.000 2.365 154 A HA 0.811 5.121 4.320 -0.017 0.000 0.318 154 A C -1.265 175.977 177.584 -0.571 0.000 1.091 154 A CA -0.445 51.295 52.037 -0.496 0.000 0.763 154 A CB 0.851 19.684 19.000 -0.278 0.000 1.248 154 A HN 0.636 nan 8.150 nan 0.000 0.442 155 Y N 0.383 120.582 120.300 -0.168 0.000 2.361 155 Y HA 0.558 5.098 4.550 -0.016 0.000 0.337 155 Y C 0.806 176.791 175.900 0.142 0.000 0.965 155 Y CA -0.624 57.459 58.100 -0.029 0.000 1.091 155 Y CB 2.302 40.804 38.460 0.070 0.000 1.182 155 Y HN 0.835 nan 8.280 nan 0.000 0.450 156 G N 2.024 110.908 108.800 0.140 0.000 2.338 156 G HA2 0.445 4.395 3.960 -0.017 0.000 0.298 156 G HA3 0.445 4.395 3.960 -0.017 0.000 0.298 156 G C -1.797 173.084 174.900 -0.031 0.000 1.140 156 G CA -0.271 44.961 45.100 0.220 0.000 0.860 156 G HN 0.500 nan 8.290 nan 0.000 0.470 157 Y N 0.876 121.382 120.300 0.343 0.000 2.376 157 Y HA 0.633 5.173 4.550 -0.017 0.000 0.340 157 Y C 0.735 176.919 175.900 0.473 0.000 0.965 157 Y CA 0.222 58.500 58.100 0.296 0.000 1.078 157 Y CB 2.632 41.319 38.460 0.378 0.000 1.193 157 Y HN 0.864 nan 8.280 nan 0.000 0.452 158 G N 2.463 111.551 108.800 0.480 0.000 2.846 158 G HA2 0.615 4.565 3.960 -0.017 0.000 0.299 158 G HA3 0.615 4.565 3.960 -0.017 0.000 0.299 158 G C -1.728 173.406 174.900 0.390 0.000 1.242 158 G CA -0.809 44.614 45.100 0.539 0.000 0.800 158 G HN 0.432 nan 8.290 nan 0.000 0.538 159 I N 0.481 121.171 120.570 0.200 0.000 2.474 159 I HA 0.443 4.603 4.170 -0.017 0.000 0.294 159 I C 0.102 176.110 176.117 -0.182 0.000 1.005 159 I CA -0.759 60.571 61.300 0.049 0.000 1.113 159 I CB 2.322 40.216 38.000 -0.177 0.000 1.289 159 I HN 0.364 nan 8.210 nan 0.000 0.436 160 R N 5.774 126.279 120.500 0.008 0.000 2.296 160 R HA 0.266 4.596 4.340 -0.017 0.000 0.327 160 R C -1.369 174.966 176.300 0.059 0.000 1.137 160 R CA -0.413 55.714 56.100 0.044 0.000 1.020 160 R CB 0.165 30.468 30.300 0.006 0.000 1.110 160 R HN 0.391 nan 8.270 nan 0.000 0.499 161 Y N 2.180 122.645 120.300 0.275 0.000 2.425 161 Y HA -0.005 4.535 4.550 -0.017 0.000 0.331 161 Y C 1.323 177.388 175.900 0.275 0.000 1.157 161 Y CA -0.076 58.174 58.100 0.249 0.000 1.372 161 Y CB 1.031 39.622 38.460 0.217 0.000 1.253 161 Y HN 0.603 nan 8.280 nan 0.000 0.536 162 E N 1.715 122.072 120.200 0.261 0.000 2.208 162 E HA -0.049 4.291 4.350 -0.017 0.000 0.193 162 E C -0.801 175.651 176.600 -0.246 0.000 0.988 162 E CA 0.834 57.176 56.400 -0.096 0.000 0.828 162 E CB 0.094 29.551 29.700 -0.406 0.000 0.763 162 E HN 0.342 nan 8.360 nan 0.000 0.478 163 F N 0.133 120.314 119.950 0.386 0.000 2.499 163 F HA 0.405 4.922 4.527 -0.017 0.000 0.333 163 F C 0.842 176.740 175.800 0.163 0.000 1.138 163 F CA -0.992 57.190 58.000 0.303 0.000 0.945 163 F CB 1.678 40.785 39.000 0.178 0.000 1.181 163 F HN -0.188 nan 8.300 nan 0.000 0.435 164 G N 2.472 111.415 108.800 0.238 0.000 2.504 164 G HA2 0.250 4.200 3.960 -0.017 0.000 0.257 164 G HA3 0.250 4.200 3.960 -0.017 0.000 0.257 164 G C -0.212 174.666 174.900 -0.036 0.000 1.451 164 G CA -0.592 44.476 45.100 -0.053 0.000 1.059 164 G HN 0.524 nan 8.290 nan 0.000 0.550 165 I N 1.404 121.874 120.570 -0.167 0.000 2.648 165 I HA 0.159 4.319 4.170 -0.017 0.000 0.284 165 I C 0.464 176.491 176.117 -0.150 0.000 1.153 165 I CA -0.615 60.556 61.300 -0.215 0.000 1.426 165 I CB 0.106 37.875 38.000 -0.385 0.000 1.381 165 I HN 0.348 nan 8.210 nan 0.000 0.571 166 F N 7.321 127.280 119.950 0.014 0.000 2.589 166 F HA 0.190 4.707 4.527 -0.016 0.000 0.352 166 F C 0.502 176.345 175.800 0.072 0.000 1.168 166 F CA -0.575 57.452 58.000 0.045 0.000 1.353 166 F CB -0.359 38.650 39.000 0.014 0.000 1.116 166 F HN 0.398 nan 8.300 nan 0.000 0.608 167 N N 2.570 121.457 118.700 0.311 0.000 2.497 167 N HA 0.020 4.750 4.740 -0.017 0.000 0.271 167 N C -0.801 174.970 175.510 0.433 0.000 1.142 167 N CA -0.250 52.950 53.050 0.251 0.000 0.965 167 N CB 1.150 39.766 38.487 0.214 0.000 1.077 167 N HN 0.739 nan 8.380 nan 0.000 0.462 168 Q N 2.401 122.417 119.800 0.359 0.000 2.303 168 Q HA 0.204 4.534 4.340 -0.017 0.000 0.257 168 Q C -0.906 175.256 176.000 0.269 0.000 0.941 168 Q CA -0.565 55.488 55.803 0.416 0.000 0.931 168 Q CB 0.918 29.914 28.738 0.431 0.000 1.215 168 Q HN 0.450 nan 8.270 nan 0.000 0.437 169 K N 3.835 124.364 120.400 0.217 0.000 2.267 169 K HA 0.540 4.850 4.320 -0.017 0.000 0.246 169 K C -1.466 175.210 176.600 0.126 0.000 0.954 169 K CA -0.590 55.793 56.287 0.161 0.000 0.824 169 K CB 1.285 33.863 32.500 0.131 0.000 1.167 169 K HN 0.579 nan 8.250 nan 0.000 0.431 170 I N 2.980 123.609 120.570 0.099 0.000 2.389 170 I HA 0.343 4.503 4.170 -0.017 0.000 0.288 170 I C -1.213 174.938 176.117 0.056 0.000 0.999 170 I CA -0.448 60.876 61.300 0.040 0.000 1.129 170 I CB 1.766 39.748 38.000 -0.030 0.000 1.288 170 I HN 0.659 nan 8.210 nan 0.000 0.444 171 C N 5.274 124.624 119.300 0.084 0.000 2.431 171 C HA 0.679 5.129 4.460 -0.017 0.000 0.321 171 C C 1.158 176.248 174.990 0.167 0.000 1.202 171 C CA 0.109 59.190 59.018 0.104 0.000 1.398 171 C CB 0.176 27.972 27.740 0.094 0.000 2.047 171 C HN 1.099 nan 8.230 nan 0.000 0.465 172 G N 3.881 112.750 108.800 0.114 0.000 2.321 172 G HA2 0.137 4.087 3.960 -0.017 0.000 0.287 172 G HA3 0.137 4.087 3.960 -0.017 0.000 0.287 172 G C 1.307 176.238 174.900 0.052 0.000 1.018 172 G CA 1.465 46.644 45.100 0.131 0.000 0.855 172 G HN 2.761 nan 8.290 nan 0.000 0.507 173 G N -3.219 105.526 108.800 -0.092 0.000 2.195 173 G HA2 -0.231 3.719 3.960 -0.017 0.000 0.246 173 G HA3 -0.231 3.719 3.960 -0.017 0.000 0.246 173 G C 0.236 174.818 174.900 -0.530 0.000 0.984 173 G CA 0.561 45.446 45.100 -0.358 0.000 0.633 173 G HN 1.292 nan 8.290 nan 0.000 0.525 174 W N 0.796 122.025 121.300 -0.119 0.000 2.639 174 W HA 0.718 5.368 4.660 -0.016 0.000 0.347 174 W C 0.405 176.854 176.519 -0.117 0.000 1.067 174 W CA -1.122 56.145 57.345 -0.131 0.000 1.218 174 W CB 0.766 30.168 29.460 -0.098 0.000 1.393 174 W HN 0.254 nan 8.180 nan 0.000 0.557 175 Q N 2.673 122.553 119.800 0.134 0.000 2.313 175 Q HA 0.316 4.645 4.340 -0.017 0.000 0.266 175 Q C -0.738 175.304 176.000 0.069 0.000 0.989 175 Q CA 0.169 56.015 55.803 0.072 0.000 0.890 175 Q CB 0.538 29.310 28.738 0.056 0.000 1.200 175 Q HN 0.329 nan 8.270 nan 0.000 0.396 176 M N 4.040 123.673 119.600 0.055 0.000 2.259 176 M HA 0.316 4.786 4.480 -0.017 0.000 0.304 176 M C -1.047 175.253 176.300 -0.000 0.000 1.019 176 M CA -0.577 54.727 55.300 0.007 0.000 0.922 176 M CB 1.769 34.389 32.600 0.033 0.000 1.600 176 M HN 0.642 nan 8.290 nan 0.000 0.433 177 E N 2.580 122.705 120.200 -0.125 0.000 2.197 177 E HA 0.558 4.898 4.350 -0.017 0.000 0.281 177 E C -0.928 175.648 176.600 -0.040 0.000 0.995 177 E CA -0.485 55.800 56.400 -0.191 0.000 0.808 177 E CB 1.248 30.517 29.700 -0.719 0.000 1.093 177 E HN 0.592 nan 8.360 nan 0.000 0.394 178 E N 0.740 121.011 120.200 0.118 0.000 2.312 178 E HA 0.580 4.920 4.350 -0.017 0.000 0.267 178 E C -0.942 175.728 176.600 0.116 0.000 0.894 178 E CA -1.243 55.203 56.400 0.077 0.000 0.773 178 E CB 1.505 31.249 29.700 0.074 0.000 1.241 178 E HN 0.588 nan 8.360 nan 0.000 0.432 179 A N 1.568 124.411 122.820 0.039 0.000 2.567 179 A HA 0.030 4.340 4.320 -0.017 0.000 0.240 179 A C -0.098 177.625 177.584 0.232 0.000 1.053 179 A CA 0.086 52.140 52.037 0.028 0.000 0.755 179 A CB -0.170 18.684 19.000 -0.242 0.000 0.978 179 A HN 0.679 nan 8.150 nan 0.000 0.507 180 D N 1.970 122.576 120.400 0.343 0.000 2.508 180 D HA 0.123 4.753 4.640 -0.017 0.000 0.224 180 D C -0.281 176.365 176.300 0.576 0.000 1.171 180 D CA -0.161 54.069 54.000 0.382 0.000 1.006 180 D CB 0.254 41.232 40.800 0.297 0.000 1.073 180 D HN 0.372 nan 8.370 nan 0.000 0.513 181 D N 3.885 124.584 120.400 0.499 0.000 2.801 181 D HA -0.048 4.582 4.640 -0.017 0.000 0.232 181 D C 1.225 177.703 176.300 0.297 0.000 1.128 181 D CA -0.494 53.770 54.000 0.439 0.000 1.003 181 D CB -0.295 40.737 40.800 0.386 0.000 1.110 181 D HN 0.584 nan 8.370 nan 0.000 0.477 182 W N 1.576 122.951 121.300 0.125 0.000 2.421 182 W HA -0.110 4.540 4.660 -0.017 0.000 0.270 182 W C 0.027 176.609 176.519 0.105 0.000 1.233 182 W CA 0.287 57.705 57.345 0.120 0.000 1.226 182 W CB -0.705 28.829 29.460 0.122 0.000 1.121 182 W HN 0.175 nan 8.180 nan 0.000 0.579 183 L N 0.971 121.853 121.223 -0.569 0.000 2.700 183 L HA 0.230 4.560 4.340 -0.017 0.000 0.234 183 L C 2.586 179.311 176.870 -0.241 0.000 1.156 183 L CA -0.164 54.340 54.840 -0.560 0.000 0.946 183 L CB -0.643 40.893 42.059 -0.871 0.000 1.216 183 L HN -0.166 nan 8.230 nan 0.000 0.493 184 R N 0.590 121.005 120.500 -0.141 0.000 2.168 184 R HA -0.265 4.065 4.340 -0.017 0.000 0.242 184 R C 1.456 177.567 176.300 -0.314 0.000 1.123 184 R CA 2.376 58.335 56.100 -0.236 0.000 0.928 184 R CB -0.356 29.767 30.300 -0.296 0.000 0.873 184 R HN 0.271 nan 8.270 nan 0.000 0.434 185 Y N -0.281 120.045 120.300 0.044 0.000 2.529 185 Y HA 0.273 4.813 4.550 -0.017 0.000 0.290 185 Y C 0.907 176.796 175.900 -0.019 0.000 1.177 185 Y CA 0.647 58.776 58.100 0.048 0.000 1.305 185 Y CB 0.371 38.988 38.460 0.262 0.000 1.047 185 Y HN 0.526 nan 8.280 nan 0.000 0.522 186 G N 1.078 109.925 108.800 0.079 0.000 2.662 186 G HA2 -0.241 3.709 3.960 -0.017 0.000 0.686 186 G HA3 -0.241 3.709 3.960 -0.017 0.000 0.686 186 G C -0.885 174.097 174.900 0.137 0.000 1.271 186 G CA -0.597 44.519 45.100 0.025 0.000 0.816 186 G HN 0.369 nan 8.290 nan 0.000 0.608 187 N N 1.396 120.126 118.700 0.050 0.000 2.623 187 N HA 0.483 5.213 4.740 -0.017 0.000 0.256 187 N C -0.955 174.574 175.510 0.031 0.000 1.045 187 N CA -1.781 51.321 53.050 0.088 0.000 0.863 187 N CB 1.753 40.234 38.487 -0.011 0.000 1.182 187 N HN 0.306 nan 8.380 nan 0.000 0.523 188 P HA -0.104 nan 4.420 nan 0.000 0.222 188 P C 0.379 177.411 177.300 -0.447 0.000 1.147 188 P CA 0.949 63.759 63.100 -0.483 0.000 0.790 188 P CB 0.040 31.102 31.700 -1.064 0.000 0.780 189 W N 1.684 123.019 121.300 0.059 0.000 2.658 189 W HA 0.047 4.698 4.660 -0.016 0.000 0.263 189 W C 1.335 177.918 176.519 0.107 0.000 1.274 189 W CA -0.414 56.965 57.345 0.058 0.000 1.343 189 W CB -0.270 29.216 29.460 0.043 0.000 1.106 189 W HN 0.054 nan 8.180 nan 0.000 0.615 190 E N 1.347 121.746 120.200 0.331 0.000 2.280 190 E HA 0.460 4.800 4.350 -0.017 0.000 0.261 190 E C -0.606 176.183 176.600 0.315 0.000 1.088 190 E CA -0.989 55.611 56.400 0.334 0.000 0.915 190 E CB 1.147 31.057 29.700 0.351 0.000 1.141 190 E HN -0.324 nan 8.360 nan 0.000 0.433 191 K N 0.648 121.241 120.400 0.322 0.000 2.668 191 K HA 0.403 4.713 4.320 -0.017 0.000 0.246 191 K C -1.244 175.386 176.600 0.050 0.000 0.976 191 K CA -0.319 56.089 56.287 0.201 0.000 0.902 191 K CB 1.385 34.004 32.500 0.198 0.000 1.172 191 K HN 0.701 nan 8.250 nan 0.000 0.452 192 A N 4.058 126.821 122.820 -0.096 0.000 2.561 192 A HA 0.244 4.554 4.320 -0.017 0.000 0.234 192 A C -0.232 177.179 177.584 -0.289 0.000 1.055 192 A CA 0.198 51.917 52.037 -0.530 0.000 0.756 192 A CB 0.159 18.863 19.000 -0.494 0.000 0.986 192 A HN 0.774 nan 8.150 nan 0.000 0.505 193 R N 2.984 123.291 120.500 -0.322 0.000 2.782 193 R HA 0.169 4.499 4.340 -0.017 0.000 0.293 193 R C -2.394 173.829 176.300 -0.128 0.000 1.333 193 R CA -1.239 54.803 56.100 -0.096 0.000 1.479 193 R CB 0.952 31.378 30.300 0.210 0.000 1.306 193 R HN 0.583 nan 8.270 nan 0.000 0.654 194 P HA -0.201 nan 4.420 nan 0.000 0.220 194 P C 0.407 177.625 177.300 -0.135 0.000 1.144 194 P CA 1.342 64.371 63.100 -0.118 0.000 0.800 194 P CB 0.329 31.966 31.700 -0.106 0.000 0.772 195 E N -0.638 119.376 120.200 -0.310 0.000 2.418 195 E HA -0.072 4.268 4.350 -0.017 0.000 0.197 195 E C 0.399 176.720 176.600 -0.464 0.000 1.026 195 E CA 0.668 56.784 56.400 -0.473 0.000 0.862 195 E CB -0.590 28.620 29.700 -0.816 0.000 0.799 195 E HN 0.377 nan 8.360 nan 0.000 0.518 196 F N 1.019 120.989 119.950 0.034 0.000 2.850 196 F HA 0.275 4.792 4.527 -0.017 0.000 0.329 196 F C 0.170 176.073 175.800 0.172 0.000 1.182 196 F CA -0.752 57.299 58.000 0.086 0.000 1.270 196 F CB 0.225 39.270 39.000 0.075 0.000 0.979 196 F HN -0.296 nan 8.300 nan 0.000 0.506 197 T N 2.589 117.294 114.554 0.252 0.000 2.930 197 T HA 0.454 4.794 4.350 -0.017 0.000 0.306 197 T C -0.252 174.567 174.700 0.199 0.000 1.045 197 T CA 0.270 62.523 62.100 0.254 0.000 1.134 197 T CB 1.197 70.166 68.868 0.169 0.000 0.961 197 T HN 0.123 nan 8.240 nan 0.000 0.545 198 L N 4.663 125.979 121.223 0.155 0.000 2.371 198 L HA 0.553 4.883 4.340 -0.017 0.000 0.262 198 L C -2.268 174.589 176.870 -0.022 0.000 1.006 198 L CA -2.335 52.532 54.840 0.045 0.000 0.818 198 L CB 2.797 44.848 42.059 -0.015 0.000 1.354 198 L HN 0.404 nan 8.230 nan 0.000 0.415 199 P HA 0.274 nan 4.420 nan 0.000 0.282 199 P C -1.403 175.793 177.300 -0.174 0.000 1.249 199 P CA -0.317 62.721 63.100 -0.102 0.000 0.806 199 P CB 1.764 33.387 31.700 -0.128 0.000 0.984 200 V N 3.693 123.492 119.914 -0.191 0.000 2.604 200 V HA 0.324 4.434 4.120 -0.017 0.000 0.305 200 V C 0.205 176.102 176.094 -0.329 0.000 1.043 200 V CA -0.599 61.572 62.300 -0.214 0.000 0.888 200 V CB 1.368 33.119 31.823 -0.120 0.000 0.995 200 V HN 0.600 nan 8.190 nan 0.000 0.429 201 H N 3.797 122.730 119.070 -0.230 0.000 2.472 201 H HA 0.631 5.177 4.556 -0.017 0.000 0.338 201 H C -1.351 173.732 175.328 -0.408 0.000 1.133 201 H CA -0.152 55.698 56.048 -0.329 0.000 1.216 201 H CB 1.960 31.318 29.762 -0.674 0.000 1.497 201 H HN 0.469 nan 8.280 nan 0.000 0.500 202 F N 0.359 120.327 119.950 0.030 0.000 2.613 202 F HA 0.215 4.732 4.527 -0.017 0.000 0.314 202 F C -0.306 175.492 175.800 -0.004 0.000 1.075 202 F CA -0.537 57.442 58.000 -0.036 0.000 0.945 202 F CB 0.950 39.815 39.000 -0.225 0.000 1.310 202 F HN 0.566 nan 8.300 nan 0.000 0.467 203 Y N 0.110 120.669 120.300 0.432 0.000 2.904 203 Y HA 0.046 4.586 4.550 -0.017 0.000 0.466 203 Y C 1.301 177.413 175.900 0.353 0.000 1.202 203 Y CA 0.547 58.825 58.100 0.295 0.000 2.491 203 Y CB -1.917 36.635 38.460 0.152 0.000 1.237 203 Y HN 1.381 nan 8.280 nan 0.000 0.633 204 G N 0.680 109.701 108.800 0.369 0.000 2.693 204 G HA2 0.167 4.117 3.960 -0.017 0.000 0.226 204 G HA3 0.167 4.117 3.960 -0.017 0.000 0.226 204 G C -0.638 174.454 174.900 0.319 0.000 1.354 204 G CA 0.700 45.934 45.100 0.222 0.000 0.873 204 G HN 1.311 nan 8.290 nan 0.000 0.562 205 R N -2.502 118.176 120.500 0.296 0.000 2.752 205 R HA 0.776 5.106 4.340 -0.017 0.000 0.271 205 R C -1.133 175.331 176.300 0.272 0.000 1.026 205 R CA -1.059 55.185 56.100 0.241 0.000 0.901 205 R CB 1.372 31.757 30.300 0.142 0.000 1.243 205 R HN 0.864 nan 8.270 nan 0.000 0.463 206 V N 0.831 120.843 119.914 0.163 0.000 2.732 206 V HA 0.434 4.544 4.120 -0.017 0.000 0.310 206 V C -0.400 175.707 176.094 0.022 0.000 1.053 206 V CA -0.609 61.731 62.300 0.067 0.000 0.957 206 V CB 1.612 33.423 31.823 -0.020 0.000 1.018 206 V HN 0.904 nan 8.190 nan 0.000 0.452 207 E N 3.101 123.259 120.200 -0.070 0.000 2.316 207 E HA 0.298 4.638 4.350 -0.017 0.000 0.254 207 E C -1.177 175.331 176.600 -0.154 0.000 0.902 207 E CA -0.745 55.633 56.400 -0.037 0.000 0.801 207 E CB 0.957 30.660 29.700 0.005 0.000 1.270 207 E HN 0.744 nan 8.360 nan 0.000 0.414 208 H N 3.332 122.410 119.070 0.015 0.000 3.015 208 H HA 0.250 4.796 4.556 -0.017 0.000 0.268 208 H C -0.647 174.684 175.328 0.005 0.000 1.113 208 H CA 0.331 56.382 56.048 0.004 0.000 1.479 208 H CB 0.929 30.690 29.762 -0.002 0.000 1.493 208 H HN 0.480 nan 8.280 nan 0.000 0.486 209 T N 1.880 116.459 114.554 0.042 0.000 3.483 209 T HA 0.160 4.499 4.350 -0.017 0.000 0.329 209 T C 0.578 175.292 174.700 0.023 0.000 1.014 209 T CA -0.260 61.864 62.100 0.039 0.000 1.056 209 T CB 2.052 70.939 68.868 0.030 0.000 1.090 209 T HN 0.708 nan 8.240 nan 0.000 0.460 210 S N 1.863 117.580 115.700 0.028 0.000 4.159 210 S HA -0.304 4.156 4.470 -0.017 0.000 0.541 210 S C 1.882 176.493 174.600 0.018 0.000 1.865 210 S CA 1.762 59.974 58.200 0.019 0.000 4.249 210 S CB -1.241 61.967 63.200 0.013 0.000 0.215 210 S HN 0.805 nan 8.310 nan 0.000 0.455 211 Q N 2.454 122.261 119.800 0.012 0.000 2.181 211 Q HA 0.215 4.545 4.340 -0.017 0.000 0.205 211 Q C 1.314 177.322 176.000 0.013 0.000 0.980 211 Q CA 1.767 57.576 55.803 0.009 0.000 0.862 211 Q CB -0.432 28.307 28.738 0.002 0.000 0.905 211 Q HN 1.040 nan 8.270 nan 0.000 0.429 212 G N -0.966 107.843 108.800 0.014 0.000 2.350 212 G HA2 0.306 4.256 3.960 -0.017 0.000 0.276 212 G HA3 0.306 4.256 3.960 -0.017 0.000 0.276 212 G C -1.631 173.254 174.900 -0.025 0.000 1.313 212 G CA -0.507 44.605 45.100 0.021 0.000 0.903 212 G HN 0.291 nan 8.290 nan 0.000 0.490 213 A N 0.001 122.774 122.820 -0.079 0.000 2.425 213 A HA 0.645 4.955 4.320 -0.017 0.000 0.249 213 A C 0.188 177.681 177.584 -0.151 0.000 1.084 213 A CA 0.292 52.180 52.037 -0.248 0.000 0.781 213 A CB 0.338 19.078 19.000 -0.433 0.000 1.019 213 A HN 0.555 nan 8.150 nan 0.000 0.490 214 K N 1.094 121.408 120.400 -0.143 0.000 2.371 214 K HA 0.247 4.557 4.320 -0.017 0.000 0.251 214 K C -1.674 174.946 176.600 0.033 0.000 0.934 214 K CA -0.286 55.973 56.287 -0.048 0.000 0.798 214 K CB 2.192 34.669 32.500 -0.038 0.000 1.204 214 K HN 0.767 nan 8.250 nan 0.000 0.427 215 W N 4.714 125.915 121.300 -0.165 0.000 2.294 215 W HA 0.383 5.033 4.660 -0.017 0.000 0.314 215 W C -0.588 175.850 176.519 -0.136 0.000 1.044 215 W CA -0.966 56.286 57.345 -0.154 0.000 1.284 215 W CB 0.280 29.632 29.460 -0.180 0.000 1.231 215 W HN 0.319 nan 8.180 nan 0.000 0.419 216 V N 2.536 122.434 119.914 -0.027 0.000 3.158 216 V HA 0.591 4.701 4.120 -0.017 0.000 0.315 216 V C -0.107 175.895 176.094 -0.153 0.000 1.148 216 V CA -0.873 61.346 62.300 -0.136 0.000 1.042 216 V CB 1.662 33.462 31.823 -0.039 0.000 1.101 216 V HN 0.574 nan 8.190 nan 0.000 0.448 217 D N 0.663 120.990 120.400 -0.120 0.000 2.706 217 D HA -0.155 4.475 4.640 -0.017 0.000 0.230 217 D C 0.498 176.734 176.300 -0.107 0.000 1.184 217 D CA 1.399 55.346 54.000 -0.088 0.000 0.628 217 D CB -1.211 39.571 40.800 -0.029 0.000 1.019 217 D HN 1.279 nan 8.370 nan 0.000 0.415 218 T N -3.089 111.336 114.554 -0.216 0.000 2.874 218 T HA 0.339 4.679 4.350 -0.017 0.000 0.281 218 T C 0.061 174.691 174.700 -0.117 0.000 0.994 218 T CA -0.985 60.982 62.100 -0.221 0.000 1.015 218 T CB 2.173 70.691 68.868 -0.584 0.000 1.028 218 T HN 0.223 nan 8.240 nan 0.000 0.523 219 Q N 1.182 120.981 119.800 -0.002 0.000 2.256 219 Q HA 0.541 4.871 4.340 -0.017 0.000 0.257 219 Q C -1.611 174.385 176.000 -0.006 0.000 0.936 219 Q CA -0.849 54.934 55.803 -0.034 0.000 0.903 219 Q CB 1.625 30.447 28.738 0.141 0.000 1.263 219 Q HN 0.626 nan 8.270 nan 0.000 0.440 220 V N 3.851 123.700 119.914 -0.108 0.000 2.513 220 V HA 0.491 4.601 4.120 -0.017 0.000 0.299 220 V C -0.456 175.656 176.094 0.031 0.000 1.035 220 V CA -0.629 61.591 62.300 -0.133 0.000 0.889 220 V CB 1.917 33.593 31.823 -0.246 0.000 0.988 220 V HN 0.656 nan 8.190 nan 0.000 0.440 221 V N 5.524 125.504 119.914 0.110 0.000 2.604 221 V HA 0.495 4.605 4.120 -0.017 0.000 0.305 221 V C -0.285 175.920 176.094 0.186 0.000 1.043 221 V CA -0.662 61.754 62.300 0.194 0.000 0.888 221 V CB 1.943 33.969 31.823 0.338 0.000 0.995 221 V HN 0.622 nan 8.190 nan 0.000 0.429 222 L N 3.524 124.861 121.223 0.191 0.000 2.326 222 L HA 0.730 5.060 4.340 -0.017 0.000 0.278 222 L C 0.493 177.555 176.870 0.320 0.000 1.092 222 L CA -0.363 54.588 54.840 0.185 0.000 0.810 222 L CB 1.374 43.525 42.059 0.152 0.000 1.153 222 L HN 0.764 nan 8.230 nan 0.000 0.439 223 A N 5.052 127.998 122.820 0.209 0.000 2.249 223 A HA 0.601 4.911 4.320 -0.017 0.000 0.314 223 A C -0.420 177.449 177.584 0.475 0.000 1.290 223 A CA -0.482 51.702 52.037 0.245 0.000 0.893 223 A CB 0.818 19.487 19.000 -0.550 0.000 1.165 223 A HN 0.789 nan 8.150 nan 0.000 0.530 224 M N 6.390 126.338 119.600 0.580 0.000 2.101 224 M HA 0.476 4.945 4.480 -0.017 0.000 0.340 224 M C -2.595 173.982 176.300 0.463 0.000 1.057 224 M CA -2.032 53.548 55.300 0.467 0.000 0.984 224 M CB 1.916 34.730 32.600 0.357 0.000 1.560 224 M HN 0.344 nan 8.290 nan 0.000 0.435 225 P HA 0.171 nan 4.420 nan 0.000 0.279 225 P C -1.879 175.362 177.300 -0.097 0.000 1.239 225 P CA 0.108 63.106 63.100 -0.170 0.000 0.789 225 P CB 0.396 31.807 31.700 -0.482 0.000 0.933 226 Y N 1.074 121.308 120.300 -0.110 0.000 2.326 226 Y HA 0.281 4.821 4.550 -0.017 0.000 0.331 226 Y C 0.264 176.161 175.900 -0.006 0.000 0.962 226 Y CA -0.288 57.813 58.100 0.002 0.000 1.167 226 Y CB 1.308 39.798 38.460 0.051 0.000 1.148 226 Y HN 0.236 nan 8.280 nan 0.000 0.463 227 D N 2.048 122.558 120.400 0.182 0.000 2.163 227 D HA 0.421 5.051 4.640 -0.017 0.000 0.248 227 D C -0.542 175.983 176.300 0.374 0.000 1.035 227 D CA -0.411 53.735 54.000 0.242 0.000 0.872 227 D CB 1.986 42.952 40.800 0.277 0.000 1.183 227 D HN 0.324 nan 8.370 nan 0.000 0.445 228 T N 2.165 116.836 114.554 0.195 0.000 2.824 228 T HA 0.480 4.820 4.350 -0.017 0.000 0.282 228 T C -2.566 171.921 174.700 -0.354 0.000 0.993 228 T CA -1.466 60.635 62.100 0.002 0.000 0.967 228 T CB 2.096 70.977 68.868 0.022 0.000 0.960 228 T HN 0.156 nan 8.240 nan 0.000 0.441 229 P HA 0.395 nan 4.420 nan 0.000 0.278 229 P C -1.071 175.869 177.300 -0.601 0.000 1.238 229 P CA -0.453 61.862 63.100 -1.308 0.000 0.794 229 P CB 0.810 31.626 31.700 -1.474 0.000 0.955 230 V N 4.825 124.451 119.914 -0.481 0.000 2.398 230 V HA 0.280 4.390 4.120 -0.017 0.000 0.282 230 V C -2.256 173.705 176.094 -0.222 0.000 1.014 230 V CA -1.855 60.280 62.300 -0.275 0.000 0.838 230 V CB 1.741 33.443 31.823 -0.203 0.000 1.018 230 V HN 0.531 nan 8.190 nan 0.000 0.432 231 P HA 0.293 nan 4.420 nan 0.000 0.286 231 P C 0.307 177.560 177.300 -0.078 0.000 1.269 231 P CA 0.231 63.251 63.100 -0.133 0.000 0.787 231 P CB 1.514 33.138 31.700 -0.127 0.000 0.920 232 G N 2.239 111.010 108.800 -0.048 0.000 2.599 232 G HA2 0.144 4.094 3.960 -0.017 0.000 0.264 232 G HA3 0.144 4.094 3.960 -0.017 0.000 0.264 232 G C -1.113 173.802 174.900 0.024 0.000 1.200 232 G CA -0.425 44.674 45.100 -0.002 0.000 0.896 232 G HN 0.434 nan 8.290 nan 0.000 0.536 233 Y N 0.524 120.788 120.300 -0.059 0.000 2.697 233 Y HA 0.187 4.727 4.550 -0.017 0.000 0.349 233 Y C 1.456 177.324 175.900 -0.054 0.000 1.120 233 Y CA -0.142 57.920 58.100 -0.063 0.000 1.468 233 Y CB 0.013 38.433 38.460 -0.066 0.000 1.182 233 Y HN 0.709 nan 8.280 nan 0.000 0.525 234 R N 2.796 123.005 120.500 -0.485 0.000 3.569 234 R HA -0.323 4.007 4.340 -0.017 0.000 0.260 234 R C 0.222 176.401 176.300 -0.203 0.000 1.078 234 R CA 1.457 57.319 56.100 -0.396 0.000 0.716 234 R CB -1.639 28.252 30.300 -0.681 0.000 1.088 234 R HN 0.926 nan 8.270 nan 0.000 0.473 235 N N -0.816 117.812 118.700 -0.119 0.000 2.204 235 N HA 0.036 4.766 4.740 -0.017 0.000 0.219 235 N C -0.410 175.057 175.510 -0.072 0.000 1.151 235 N CA -0.251 52.755 53.050 -0.073 0.000 0.867 235 N CB 0.452 38.918 38.487 -0.035 0.000 1.043 235 N HN 0.117 nan 8.380 nan 0.000 0.516 236 N N -0.314 118.340 118.700 -0.076 0.000 2.753 236 N HA -0.135 4.595 4.740 -0.017 0.000 0.251 236 N C -0.958 174.510 175.510 -0.070 0.000 1.097 236 N CA 0.611 53.621 53.050 -0.066 0.000 0.786 236 N CB -1.521 36.927 38.487 -0.065 0.000 1.137 236 N HN 0.189 nan 8.380 nan 0.000 0.566 237 V N 0.787 120.663 119.914 -0.062 0.000 2.483 237 V HA 0.609 4.719 4.120 -0.017 0.000 0.295 237 V C 0.462 176.527 176.094 -0.048 0.000 1.035 237 V CA -0.702 61.565 62.300 -0.056 0.000 0.896 237 V CB 2.441 34.248 31.823 -0.027 0.000 0.986 237 V HN -0.018 nan 8.190 nan 0.000 0.447 238 V N 4.490 124.382 119.914 -0.037 0.000 2.488 238 V HA 0.485 4.595 4.120 -0.017 0.000 0.293 238 V C -0.326 175.751 176.094 -0.028 0.000 1.027 238 V CA -0.804 61.445 62.300 -0.084 0.000 0.862 238 V CB 1.575 33.336 31.823 -0.103 0.000 1.008 238 V HN 0.847 nan 8.190 nan 0.000 0.428 239 N N 1.739 120.388 118.700 -0.085 0.000 2.538 239 N HA 0.619 5.348 4.740 -0.017 0.000 0.292 239 N C -0.157 175.313 175.510 -0.066 0.000 1.262 239 N CA -0.387 52.646 53.050 -0.028 0.000 0.976 239 N CB 1.518 39.947 38.487 -0.096 0.000 1.161 239 N HN 0.603 nan 8.380 nan 0.000 0.598 240 T N 0.763 115.314 114.554 -0.005 0.000 2.856 240 T HA 0.416 4.756 4.350 -0.017 0.000 0.283 240 T C -0.292 174.367 174.700 -0.069 0.000 1.008 240 T CA -0.494 61.651 62.100 0.075 0.000 0.997 240 T CB 1.131 70.199 68.868 0.333 0.000 0.992 240 T HN 0.278 nan 8.240 nan 0.000 0.454 241 M N 3.654 123.172 119.600 -0.138 0.000 2.066 241 M HA 0.474 4.944 4.480 -0.017 0.000 0.340 241 M C -0.503 175.638 176.300 -0.266 0.000 1.053 241 M CA -0.694 54.436 55.300 -0.284 0.000 0.983 241 M CB 0.466 32.866 32.600 -0.334 0.000 1.520 241 M HN 0.452 nan 8.290 nan 0.000 0.428 242 R N 4.785 125.015 120.500 -0.450 0.000 2.310 242 R HA 0.559 4.889 4.340 -0.017 0.000 0.324 242 R C -2.064 173.933 176.300 -0.505 0.000 0.955 242 R CA -0.596 55.194 56.100 -0.516 0.000 0.830 242 R CB 0.965 30.793 30.300 -0.786 0.000 1.154 242 R HN 0.630 nan 8.270 nan 0.000 0.458 243 L N 5.723 126.759 121.223 -0.313 0.000 2.325 243 L HA 0.464 4.794 4.340 -0.017 0.000 0.281 243 L C -1.120 175.718 176.870 -0.053 0.000 1.004 243 L CA -0.530 54.228 54.840 -0.136 0.000 0.823 243 L CB 1.097 43.154 42.059 -0.003 0.000 1.236 243 L HN 0.607 nan 8.230 nan 0.000 0.415 244 W N 2.551 123.966 121.300 0.193 0.000 2.218 244 W HA 0.516 5.166 4.660 -0.017 0.000 0.326 244 W C 0.740 177.486 176.519 0.378 0.000 1.276 244 W CA -0.055 57.431 57.345 0.235 0.000 1.210 244 W CB 0.884 30.335 29.460 -0.014 0.000 1.143 244 W HN 0.447 nan 8.180 nan 0.000 0.563 245 S N 1.562 117.687 115.700 0.708 0.000 2.482 245 S HA 0.765 5.225 4.470 -0.017 0.000 0.303 245 S C -0.513 174.467 174.600 0.633 0.000 1.091 245 S CA -0.770 57.757 58.200 0.545 0.000 1.057 245 S CB 0.630 64.119 63.200 0.482 0.000 1.031 245 S HN 0.538 nan 8.310 nan 0.000 0.485 246 A N 3.853 126.901 122.820 0.380 0.000 2.328 246 A HA 0.639 4.949 4.320 -0.017 0.000 0.284 246 A C -0.147 177.552 177.584 0.191 0.000 1.160 246 A CA -0.447 51.710 52.037 0.199 0.000 0.818 246 A CB 0.204 19.042 19.000 -0.270 0.000 1.087 246 A HN 0.782 nan 8.150 nan 0.000 0.504 247 K N 2.200 122.730 120.400 0.217 0.000 2.422 247 K HA 0.710 5.020 4.320 -0.017 0.000 0.251 247 K C -0.533 176.145 176.600 0.130 0.000 0.933 247 K CA -0.435 55.950 56.287 0.163 0.000 0.798 247 K CB 1.940 34.553 32.500 0.189 0.000 1.238 247 K HN 0.805 nan 8.250 nan 0.000 0.428 248 A N 4.409 127.288 122.820 0.099 0.000 2.327 248 A HA 0.486 4.796 4.320 -0.017 0.000 0.283 248 A C -2.211 175.433 177.584 0.101 0.000 1.127 248 A CA -1.577 50.516 52.037 0.093 0.000 0.810 248 A CB -0.176 18.868 19.000 0.073 0.000 1.066 248 A HN 0.715 nan 8.150 nan 0.000 0.492 249 P HA -0.042 nan 4.420 nan 0.000 0.270 249 P C 0.098 177.465 177.300 0.112 0.000 1.221 249 P CA -0.117 63.056 63.100 0.121 0.000 0.788 249 P CB 0.515 32.309 31.700 0.157 0.000 0.904 250 N N 1.123 119.879 118.700 0.093 0.000 2.463 250 N HA -0.111 4.619 4.740 -0.017 0.000 0.181 250 N C 0.462 176.005 175.510 0.056 0.000 1.078 250 N CA 0.818 53.910 53.050 0.070 0.000 0.902 250 N CB -0.355 38.164 38.487 0.053 0.000 0.970 250 N HN 0.411 nan 8.380 nan 0.000 0.451 251 D N -0.359 120.069 120.400 0.046 0.000 2.514 251 D HA 0.021 4.651 4.640 -0.017 0.000 0.249 251 D C 1.466 177.734 176.300 -0.053 0.000 1.036 251 D CA -0.131 53.847 54.000 -0.037 0.000 0.911 251 D CB -0.896 39.809 40.800 -0.158 0.000 1.145 251 D HN 0.098 nan 8.370 nan 0.000 0.495 252 F N 1.244 121.211 119.950 0.030 0.000 2.259 252 F HA 0.158 4.675 4.527 -0.017 0.000 0.298 252 F C 1.505 177.324 175.800 0.032 0.000 1.088 252 F CA 0.736 58.752 58.000 0.027 0.000 1.358 252 F CB -0.635 38.378 39.000 0.021 0.000 1.040 252 F HN -0.059 nan 8.300 nan 0.000 0.505 253 N N 0.751 119.574 118.700 0.205 0.000 2.471 253 N HA 0.069 4.799 4.740 -0.017 0.000 0.205 253 N C 0.032 175.591 175.510 0.082 0.000 1.251 253 N CA 0.264 53.384 53.050 0.117 0.000 0.843 253 N CB 0.045 38.600 38.487 0.113 0.000 1.044 253 N HN 0.189 nan 8.380 nan 0.000 0.461 254 L N -4.131 117.147 121.223 0.091 0.000 1.737 254 L HA 0.116 4.445 4.340 -0.017 0.000 0.509 254 L C -0.364 176.518 176.870 0.020 0.000 0.791 254 L CA 0.226 55.115 54.840 0.082 0.000 1.766 254 L CB -1.381 40.758 42.059 0.133 0.000 1.389 254 L HN -0.202 nan 8.230 nan 0.000 0.348 255 K N 0.426 120.802 120.400 -0.040 0.000 3.336 255 K HA 0.348 4.658 4.320 -0.017 0.000 0.260 255 K C -0.059 176.474 176.600 -0.113 0.000 1.053 255 K CA 0.145 56.279 56.287 -0.254 0.000 1.662 255 K CB 0.127 32.062 32.500 -0.941 0.000 2.392 255 K HN 0.336 nan 8.250 nan 0.000 0.748 256 D N -0.511 119.790 120.400 -0.165 0.000 3.377 256 D HA -0.276 4.354 4.640 -0.017 0.000 0.221 256 D C 0.781 177.093 176.300 0.019 0.000 1.721 256 D CA 1.472 55.466 54.000 -0.010 0.000 1.022 256 D CB -0.623 40.288 40.800 0.186 0.000 0.719 256 D HN 0.335 nan 8.370 nan 0.000 0.823 257 F N 0.818 120.793 119.950 0.042 0.000 2.789 257 F HA 0.103 4.620 4.527 -0.017 0.000 0.300 257 F C 1.391 177.209 175.800 0.030 0.000 1.132 257 F CA -0.059 57.957 58.000 0.026 0.000 1.404 257 F CB -0.638 38.379 39.000 0.028 0.000 1.114 257 F HN 0.159 nan 8.300 nan 0.000 0.584 258 N N 1.672 120.503 118.700 0.220 0.000 2.195 258 N HA -0.121 4.609 4.740 -0.017 0.000 0.280 258 N C -0.039 175.544 175.510 0.122 0.000 1.236 258 N CA 0.100 53.240 53.050 0.151 0.000 1.151 258 N CB -0.100 38.475 38.487 0.146 0.000 1.466 258 N HN 0.022 nan 8.380 nan 0.000 0.485 259 V N 0.152 120.133 119.914 0.112 0.000 3.177 259 V HA 0.787 4.897 4.120 -0.017 0.000 0.319 259 V C 0.907 177.044 176.094 0.072 0.000 1.125 259 V CA 0.420 62.773 62.300 0.089 0.000 1.029 259 V CB 1.897 33.762 31.823 0.070 0.000 1.119 259 V HN 0.573 nan 8.190 nan 0.000 0.452 260 G N 1.077 109.914 108.800 0.061 0.000 2.834 260 G HA2 0.444 4.394 3.960 -0.017 0.000 0.217 260 G HA3 0.444 4.394 3.960 -0.017 0.000 0.217 260 G C 0.523 175.449 174.900 0.042 0.000 0.974 260 G CA 0.112 45.239 45.100 0.046 0.000 0.826 260 G HN 2.182 nan 8.290 nan 0.000 0.584 261 G N -1.075 107.760 108.800 0.058 0.000 2.873 261 G HA2 0.368 4.318 3.960 -0.017 0.000 0.507 261 G HA3 0.368 4.318 3.960 -0.017 0.000 0.507 261 G C -0.099 174.855 174.900 0.090 0.000 1.440 261 G CA 0.170 45.307 45.100 0.062 0.000 1.016 261 G HN 1.384 nan 8.290 nan 0.000 0.615 262 Y N 3.551 123.862 120.300 0.017 0.000 2.200 262 Y HA 0.053 4.593 4.550 -0.017 0.000 0.290 262 Y C 2.340 178.251 175.900 0.019 0.000 1.137 262 Y CA 1.946 60.057 58.100 0.018 0.000 1.163 262 Y CB -0.013 38.455 38.460 0.013 0.000 0.988 262 Y HN 0.503 nan 8.280 nan 0.000 0.518 263 I N 0.241 120.703 120.570 -0.179 0.000 2.202 263 I HA -0.271 3.889 4.170 -0.017 0.000 0.242 263 I C 2.432 178.421 176.117 -0.213 0.000 1.091 263 I CA 1.478 62.586 61.300 -0.320 0.000 1.368 263 I CB -0.684 37.270 38.000 -0.077 0.000 1.058 263 I HN 0.346 nan 8.210 nan 0.000 0.410 264 Q N 0.651 120.391 119.800 -0.099 0.000 2.124 264 Q HA -0.157 4.173 4.340 -0.017 0.000 0.202 264 Q C 2.316 178.276 176.000 -0.067 0.000 0.977 264 Q CA 1.766 57.533 55.803 -0.060 0.000 0.850 264 Q CB -0.102 28.624 28.738 -0.020 0.000 0.901 264 Q HN 0.519 nan 8.270 nan 0.000 0.429 265 A N -0.068 122.710 122.820 -0.071 0.000 1.978 265 A HA -0.130 4.180 4.320 -0.017 0.000 0.220 265 A C 2.310 179.844 177.584 -0.085 0.000 1.170 265 A CA 1.463 53.474 52.037 -0.044 0.000 0.636 265 A CB -0.517 18.478 19.000 -0.008 0.000 0.810 265 A HN 0.235 nan 8.150 nan 0.000 0.448 266 V N 0.273 120.069 119.914 -0.196 0.000 2.358 266 V HA -0.216 3.894 4.120 -0.017 0.000 0.246 266 V C 2.495 178.528 176.094 -0.101 0.000 1.047 266 V CA 1.720 63.904 62.300 -0.192 0.000 1.035 266 V CB -0.711 30.904 31.823 -0.346 0.000 0.658 266 V HN 0.574 nan 8.190 nan 0.000 0.452 267 L N -0.274 120.891 121.223 -0.096 0.000 2.093 267 L HA -0.149 4.181 4.340 -0.017 0.000 0.208 267 L C 2.050 178.904 176.870 -0.025 0.000 1.085 267 L CA 1.383 56.193 54.840 -0.051 0.000 0.755 267 L CB -0.846 41.185 42.059 -0.047 0.000 0.904 267 L HN 0.316 nan 8.230 nan 0.000 0.435 268 D N 0.235 120.621 120.400 -0.024 0.000 2.403 268 D HA -0.105 4.525 4.640 -0.017 0.000 0.227 268 D C 2.155 178.458 176.300 0.006 0.000 0.995 268 D CA 0.525 54.522 54.000 -0.005 0.000 0.928 268 D CB -0.001 40.800 40.800 0.001 0.000 0.887 268 D HN 0.265 nan 8.370 nan 0.000 0.529 269 R N 0.218 120.721 120.500 0.005 0.000 2.148 269 R HA -0.039 4.291 4.340 -0.017 0.000 0.227 269 R C 1.636 177.948 176.300 0.021 0.000 1.103 269 R CA 0.486 56.598 56.100 0.020 0.000 0.983 269 R CB -0.179 30.134 30.300 0.022 0.000 0.874 269 R HN 0.211 nan 8.270 nan 0.000 0.451 270 N N 1.352 120.061 118.700 0.015 0.000 2.007 270 N HA -0.194 4.536 4.740 -0.017 0.000 0.197 270 N C 1.777 177.296 175.510 0.015 0.000 1.050 270 N CA 1.200 54.263 53.050 0.020 0.000 0.856 270 N CB -0.550 37.949 38.487 0.020 0.000 1.050 270 N HN -0.011 nan 8.380 nan 0.000 0.423 271 L N 1.140 122.368 121.223 0.009 0.000 2.167 271 L HA -0.335 3.995 4.340 -0.017 0.000 0.241 271 L C 2.410 179.273 176.870 -0.011 0.000 1.123 271 L CA 2.373 57.214 54.840 0.002 0.000 0.849 271 L CB -1.593 40.467 42.059 0.002 0.000 0.947 271 L HN 0.291 nan 8.230 nan 0.000 0.449 272 A N -1.435 121.380 122.820 -0.009 0.000 1.908 272 A HA -0.219 4.091 4.320 -0.017 0.000 0.218 272 A C 2.039 179.599 177.584 -0.040 0.000 1.181 272 A CA 1.911 53.933 52.037 -0.025 0.000 0.627 272 A CB -0.586 18.420 19.000 0.010 0.000 0.818 272 A HN 0.670 nan 8.150 nan 0.000 0.445 273 E N -0.221 119.975 120.200 -0.005 0.000 2.482 273 E HA -0.079 4.261 4.350 -0.017 0.000 0.196 273 E C 1.117 177.718 176.600 0.001 0.000 1.047 273 E CA 0.206 56.610 56.400 0.007 0.000 0.869 273 E CB -0.176 29.550 29.700 0.044 0.000 0.836 273 E HN 0.483 nan 8.360 nan 0.000 0.520 274 N N 1.276 119.974 118.700 -0.004 0.000 2.289 274 N HA -0.112 4.618 4.740 -0.017 0.000 0.184 274 N C 1.687 177.204 175.510 0.011 0.000 1.016 274 N CA 0.684 53.746 53.050 0.021 0.000 0.872 274 N CB -0.110 38.388 38.487 0.018 0.000 0.973 274 N HN 0.228 nan 8.380 nan 0.000 0.433 275 I N 0.358 120.877 120.570 -0.085 0.000 2.185 275 I HA -0.283 3.877 4.170 -0.017 0.000 0.246 275 I C 1.333 177.418 176.117 -0.052 0.000 1.088 275 I CA 1.426 62.633 61.300 -0.154 0.000 1.347 275 I CB -0.235 37.487 38.000 -0.463 0.000 1.041 275 I HN 0.154 nan 8.210 nan 0.000 0.415 276 S N -0.602 115.081 115.700 -0.028 0.000 2.574 276 S HA 0.219 4.679 4.470 -0.017 0.000 0.242 276 S C 1.427 176.174 174.600 0.244 0.000 0.982 276 S CA -0.611 57.672 58.200 0.138 0.000 0.977 276 S CB 0.184 63.460 63.200 0.127 0.000 0.814 276 S HN 0.262 nan 8.310 nan 0.000 0.464 277 R N 0.591 121.228 120.500 0.229 0.000 2.066 277 R HA 0.241 4.571 4.340 -0.017 0.000 0.232 277 R C 0.464 177.016 176.300 0.421 0.000 1.131 277 R CA 1.247 57.519 56.100 0.287 0.000 0.955 277 R CB 0.037 30.488 30.300 0.252 0.000 0.851 277 R HN 0.408 nan 8.270 nan 0.000 0.432 278 V N -0.264 119.860 119.914 0.351 0.000 3.178 278 V HA 0.312 4.422 4.120 -0.017 0.000 0.302 278 V C -1.705 174.388 176.094 -0.002 0.000 1.262 278 V CA -1.254 61.197 62.300 0.251 0.000 1.030 278 V CB 1.847 33.773 31.823 0.172 0.000 1.074 278 V HN 0.115 nan 8.190 nan 0.000 0.438 279 L N 4.707 125.704 121.223 -0.377 0.000 2.349 279 L HA 0.530 4.860 4.340 -0.017 0.000 0.275 279 L C -0.982 175.756 176.870 -0.220 0.000 1.115 279 L CA 0.359 54.739 54.840 -0.767 0.000 0.820 279 L CB 0.776 42.310 42.059 -0.875 0.000 1.135 279 L HN 0.679 nan 8.230 nan 0.000 0.445 280 Y N 6.157 126.371 120.300 -0.143 0.000 2.465 280 Y HA 0.242 4.782 4.550 -0.017 0.000 0.331 280 Y C -1.444 174.444 175.900 -0.020 0.000 1.102 280 Y CA -1.402 56.683 58.100 -0.026 0.000 1.358 280 Y CB 0.493 38.962 38.460 0.014 0.000 1.213 280 Y HN 0.553 nan 8.280 nan 0.000 0.525 281 P HA 0.035 nan 4.420 nan 0.000 0.249 281 P C -1.175 176.234 177.300 0.183 0.000 1.593 281 P CA 0.128 63.317 63.100 0.148 0.000 0.896 281 P CB -0.131 31.736 31.700 0.278 0.000 1.581 282 N N 0.794 119.612 118.700 0.197 0.000 2.400 282 N HA 0.223 4.953 4.740 -0.017 0.000 0.288 282 N C -0.715 174.933 175.510 0.229 0.000 1.024 282 N CA -0.562 52.626 53.050 0.230 0.000 0.894 282 N CB 1.300 39.975 38.487 0.314 0.000 1.173 282 N HN -0.031 nan 8.380 nan 0.000 0.487 283 D N 2.165 122.721 120.400 0.261 0.000 2.381 283 D HA 0.148 4.778 4.640 -0.017 0.000 0.235 283 D C -0.535 176.043 176.300 0.463 0.000 1.068 283 D CA -0.203 53.985 54.000 0.313 0.000 0.832 283 D CB 0.352 41.323 40.800 0.284 0.000 1.101 283 D HN 0.473 nan 8.370 nan 0.000 0.515 284 N N 2.849 121.768 118.700 0.364 0.000 2.756 284 N HA -0.250 4.480 4.740 -0.017 0.000 0.248 284 N C -1.184 174.576 175.510 0.417 0.000 1.062 284 N CA 0.665 53.906 53.050 0.319 0.000 0.696 284 N CB -1.337 37.305 38.487 0.258 0.000 0.946 284 N HN 0.437 nan 8.380 nan 0.000 0.548 285 F N 0.587 120.653 119.950 0.194 0.000 2.622 285 F HA 0.488 5.004 4.527 -0.017 0.000 0.318 285 F C -1.355 174.534 175.800 0.148 0.000 1.135 285 F CA -1.129 56.956 58.000 0.142 0.000 1.015 285 F CB 0.998 40.053 39.000 0.092 0.000 1.275 285 F HN -0.046 nan 8.300 nan 0.000 0.457 286 F N 5.797 125.342 119.950 -0.674 0.000 2.436 286 F HA 0.589 5.106 4.527 -0.017 0.000 0.340 286 F C -0.921 174.539 175.800 -0.567 0.000 1.113 286 F CA -0.338 57.365 58.000 -0.494 0.000 1.022 286 F CB 1.222 39.928 39.000 -0.491 0.000 1.128 286 F HN 0.546 nan 8.300 nan 0.000 0.466 287 E N 3.534 123.189 120.200 -0.909 0.000 2.218 287 E HA 0.376 4.716 4.350 -0.017 0.000 0.263 287 E C -0.519 175.370 176.600 -1.186 0.000 0.879 287 E CA -0.842 55.120 56.400 -0.730 0.000 0.762 287 E CB 1.509 31.113 29.700 -0.161 0.000 1.166 287 E HN 0.958 nan 8.360 nan 0.000 0.415 288 G N 4.354 112.456 108.800 -1.163 0.000 3.101 288 G HA2 0.117 4.066 3.960 -0.017 0.000 0.272 288 G HA3 0.117 4.066 3.960 -0.017 0.000 0.272 288 G C -0.344 174.448 174.900 -0.179 0.000 0.801 288 G CA -0.212 44.334 45.100 -0.924 0.000 1.978 288 G HN 0.099 nan 8.290 nan 0.000 0.591 289 K N 0.517 120.893 120.400 -0.041 0.000 2.221 289 K HA 0.287 4.597 4.320 -0.017 0.000 0.258 289 K C 0.945 177.690 176.600 0.241 0.000 0.944 289 K CA -1.076 55.287 56.287 0.126 0.000 0.823 289 K CB 2.197 34.781 32.500 0.141 0.000 1.113 289 K HN 0.382 nan 8.250 nan 0.000 0.431 290 E N 1.536 121.850 120.200 0.190 0.000 2.097 290 E HA -0.226 4.114 4.350 -0.017 0.000 0.196 290 E C 1.404 178.039 176.600 0.058 0.000 1.000 290 E CA 1.104 57.564 56.400 0.101 0.000 0.804 290 E CB 0.105 29.863 29.700 0.096 0.000 0.740 290 E HN 0.418 nan 8.360 nan 0.000 0.454 291 L N 1.284 122.582 121.223 0.126 0.000 2.081 291 L HA -0.218 4.112 4.340 -0.017 0.000 0.212 291 L C 2.386 179.336 176.870 0.134 0.000 1.080 291 L CA 1.992 56.925 54.840 0.155 0.000 0.754 291 L CB -0.538 41.695 42.059 0.291 0.000 0.893 291 L HN 0.026 nan 8.230 nan 0.000 0.433 292 R N -0.791 119.712 120.500 0.005 0.000 2.092 292 R HA -0.137 4.193 4.340 -0.017 0.000 0.231 292 R C 2.108 178.436 176.300 0.047 0.000 1.119 292 R CA 1.678 57.701 56.100 -0.129 0.000 0.970 292 R CB -0.952 29.052 30.300 -0.493 0.000 0.864 292 R HN 0.394 nan 8.270 nan 0.000 0.440 293 L N 1.017 122.215 121.223 -0.041 0.000 2.083 293 L HA -0.083 4.247 4.340 -0.017 0.000 0.209 293 L C 1.541 178.364 176.870 -0.078 0.000 1.083 293 L CA 1.888 56.515 54.840 -0.355 0.000 0.752 293 L CB -0.361 41.174 42.059 -0.873 0.000 0.899 293 L HN 0.176 nan 8.230 nan 0.000 0.433 294 K N -0.988 119.409 120.400 -0.005 0.000 2.097 294 K HA -0.173 4.137 4.320 -0.017 0.000 0.205 294 K C 2.009 178.770 176.600 0.268 0.000 1.050 294 K CA 1.588 57.945 56.287 0.117 0.000 0.938 294 K CB -0.187 32.202 32.500 -0.185 0.000 0.718 294 K HN 0.528 nan 8.250 nan 0.000 0.442 295 Q N 0.944 120.860 119.800 0.194 0.000 2.050 295 Q HA -0.181 4.149 4.340 -0.017 0.000 0.202 295 Q C 1.985 178.184 176.000 0.331 0.000 0.980 295 Q CA 1.441 57.419 55.803 0.291 0.000 0.840 295 Q CB -0.083 28.849 28.738 0.323 0.000 0.898 295 Q HN 0.373 nan 8.270 nan 0.000 0.424 296 E N -0.051 120.296 120.200 0.245 0.000 2.077 296 E HA -0.219 4.121 4.350 -0.017 0.000 0.193 296 E C 1.801 178.515 176.600 0.189 0.000 0.989 296 E CA 1.079 57.606 56.400 0.212 0.000 0.800 296 E CB -0.159 29.643 29.700 0.171 0.000 0.746 296 E HN 0.320 nan 8.360 nan 0.000 0.452 297 Y N 0.431 120.776 120.300 0.076 0.000 2.200 297 Y HA -0.243 4.297 4.550 -0.017 0.000 0.290 297 Y C 2.014 177.943 175.900 0.049 0.000 1.137 297 Y CA 1.362 59.460 58.100 -0.004 0.000 1.163 297 Y CB -0.417 38.000 38.460 -0.071 0.000 0.988 297 Y HN 0.038 nan 8.280 nan 0.000 0.518 298 F N -0.540 119.407 119.950 -0.006 0.000 2.126 298 F HA -0.204 4.313 4.527 -0.017 0.000 0.299 298 F C 2.155 177.803 175.800 -0.253 0.000 1.096 298 F CA 1.697 59.637 58.000 -0.100 0.000 1.255 298 F CB -0.780 38.336 39.000 0.193 0.000 0.997 298 F HN -0.108 nan 8.300 nan 0.000 0.479 299 V N -0.568 119.304 119.914 -0.070 0.000 2.358 299 V HA -0.258 3.852 4.120 -0.017 0.000 0.246 299 V C 2.361 178.274 176.094 -0.301 0.000 1.047 299 V CA 1.664 63.873 62.300 -0.152 0.000 1.035 299 V CB -0.338 31.590 31.823 0.175 0.000 0.658 299 V HN 0.272 nan 8.190 nan 0.000 0.452 300 V N -0.035 119.720 119.914 -0.265 0.000 2.307 300 V HA -0.230 3.880 4.120 -0.017 0.000 0.245 300 V C 2.650 178.468 176.094 -0.460 0.000 1.045 300 V CA 2.058 64.185 62.300 -0.287 0.000 1.024 300 V CB -0.934 30.775 31.823 -0.189 0.000 0.651 300 V HN 0.570 nan 8.190 nan 0.000 0.449 301 A N -0.161 122.230 122.820 -0.715 0.000 1.877 301 A HA -0.125 4.185 4.320 -0.017 0.000 0.216 301 A C 2.407 179.630 177.584 -0.602 0.000 1.186 301 A CA 2.214 53.829 52.037 -0.703 0.000 0.620 301 A CB -0.862 17.509 19.000 -1.048 0.000 0.822 301 A HN 0.569 nan 8.150 nan 0.000 0.443 302 A N -1.002 121.307 122.820 -0.852 0.000 1.877 302 A HA -0.072 4.238 4.320 -0.017 0.000 0.216 302 A C 2.322 179.417 177.584 -0.814 0.000 1.186 302 A CA 2.323 53.671 52.037 -1.149 0.000 0.620 302 A CB -1.388 16.258 19.000 -2.256 0.000 0.822 302 A HN 0.436 nan 8.150 nan 0.000 0.443 303 T N 0.561 114.732 114.554 -0.638 0.000 2.684 303 T HA -0.146 4.194 4.350 -0.017 0.000 0.267 303 T C 1.740 176.172 174.700 -0.447 0.000 1.036 303 T CA 1.579 63.418 62.100 -0.435 0.000 1.148 303 T CB -0.360 68.248 68.868 -0.433 0.000 0.863 303 T HN 0.179 nan 8.240 nan 0.000 0.436 304 L N 1.289 122.294 121.223 -0.363 0.000 2.079 304 L HA -0.085 4.245 4.340 -0.017 0.000 0.210 304 L C 2.597 179.351 176.870 -0.193 0.000 1.081 304 L CA 1.548 56.227 54.840 -0.268 0.000 0.752 304 L CB -1.323 40.616 42.059 -0.199 0.000 0.896 304 L HN 0.359 nan 8.230 nan 0.000 0.433 305 Q N -0.946 118.741 119.800 -0.188 0.000 2.096 305 Q HA -0.247 4.083 4.340 -0.017 0.000 0.204 305 Q C 1.905 177.887 176.000 -0.029 0.000 0.982 305 Q CA 1.680 57.431 55.803 -0.086 0.000 0.850 305 Q CB -0.115 28.566 28.738 -0.094 0.000 0.901 305 Q HN 0.436 nan 8.270 nan 0.000 0.422 306 D N 0.370 120.748 120.400 -0.037 0.000 2.104 306 D HA -0.138 4.492 4.640 -0.017 0.000 0.194 306 D C 1.701 177.969 176.300 -0.053 0.000 0.994 306 D CA 0.970 54.989 54.000 0.032 0.000 0.830 306 D CB -0.090 40.811 40.800 0.168 0.000 0.959 306 D HN 0.184 nan 8.370 nan 0.000 0.452 307 I N 0.540 120.970 120.570 -0.234 0.000 2.099 307 I HA -0.266 3.894 4.170 -0.017 0.000 0.239 307 I C 2.183 178.339 176.117 0.065 0.000 1.066 307 I CA 0.629 61.748 61.300 -0.301 0.000 1.324 307 I CB -0.299 37.374 38.000 -0.544 0.000 1.037 307 I HN 0.065 nan 8.210 nan 0.000 0.401 308 I N 0.829 121.494 120.570 0.158 0.000 2.163 308 I HA -0.310 3.850 4.170 -0.017 0.000 0.243 308 I C 2.679 178.964 176.117 0.281 0.000 1.085 308 I CA 1.597 63.093 61.300 0.327 0.000 1.347 308 I CB -1.534 36.576 38.000 0.183 0.000 1.044 308 I HN 0.389 nan 8.210 nan 0.000 0.408 309 R N 1.442 122.038 120.500 0.160 0.000 2.103 309 R HA -0.219 4.110 4.340 -0.017 0.000 0.234 309 R C 2.493 178.883 176.300 0.150 0.000 1.132 309 R CA 2.021 58.199 56.100 0.131 0.000 0.925 309 R CB -0.380 29.978 30.300 0.097 0.000 0.842 309 R HN 0.224 nan 8.270 nan 0.000 0.430 310 R N -0.717 119.873 120.500 0.150 0.000 2.103 310 R HA -0.193 4.137 4.340 -0.017 0.000 0.242 310 R C 2.293 178.732 176.300 0.231 0.000 1.142 310 R CA 2.009 58.211 56.100 0.170 0.000 0.960 310 R CB -0.523 29.872 30.300 0.158 0.000 0.858 310 R HN 0.311 nan 8.270 nan 0.000 0.439 311 F N 1.744 121.774 119.950 0.134 0.000 2.051 311 F HA -0.203 4.314 4.527 -0.017 0.000 0.296 311 F C 1.899 177.833 175.800 0.223 0.000 1.122 311 F CA 1.640 59.744 58.000 0.174 0.000 1.201 311 F CB -0.185 38.951 39.000 0.226 0.000 0.978 311 F HN -0.199 nan 8.300 nan 0.000 0.472 312 K N -0.181 120.199 120.400 -0.033 0.000 2.103 312 K HA -0.116 4.193 4.320 -0.017 0.000 0.207 312 K C 1.995 178.558 176.600 -0.062 0.000 1.048 312 K CA 1.657 57.829 56.287 -0.192 0.000 0.930 312 K CB -0.336 32.161 32.500 -0.004 0.000 0.716 312 K HN 0.229 nan 8.250 nan 0.000 0.444 313 S N 0.382 116.104 115.700 0.037 0.000 2.528 313 S HA 0.050 4.510 4.470 -0.017 0.000 0.219 313 S C 0.345 175.013 174.600 0.114 0.000 0.985 313 S CA -0.002 58.246 58.200 0.081 0.000 0.914 313 S CB 0.446 63.710 63.200 0.107 0.000 0.776 313 S HN 0.050 nan 8.310 nan 0.000 0.526 314 S N 2.705 118.450 115.700 0.075 0.000 2.404 314 S HA 0.315 4.775 4.470 -0.017 0.000 0.309 314 S C 0.247 174.773 174.600 -0.122 0.000 1.076 314 S CA -0.742 57.466 58.200 0.014 0.000 1.095 314 S CB 0.693 63.917 63.200 0.040 0.000 0.972 314 S HN 0.118 nan 8.310 nan 0.000 0.484 315 K N 0.836 121.137 120.400 -0.165 0.000 3.290 315 K HA -0.215 4.095 4.320 -0.017 0.000 0.309 315 K C 0.111 176.606 176.600 -0.174 0.000 1.207 315 K CA 1.372 57.532 56.287 -0.212 0.000 0.939 315 K CB -1.606 30.716 32.500 -0.298 0.000 1.230 315 K HN 0.623 nan 8.250 nan 0.000 0.428 316 F N -0.610 119.224 119.950 -0.192 0.000 2.706 316 F HA 0.307 4.824 4.527 -0.017 0.000 0.308 316 F C 2.192 177.886 175.800 -0.176 0.000 1.095 316 F CA 0.052 57.905 58.000 -0.246 0.000 1.244 316 F CB 0.118 38.843 39.000 -0.459 0.000 1.063 316 F HN 0.104 nan 8.300 nan 0.000 0.582 317 G N -0.113 108.724 108.800 0.061 0.000 2.517 317 G HA2 -0.281 3.669 3.960 -0.017 0.000 0.222 317 G HA3 -0.281 3.669 3.960 -0.017 0.000 0.222 317 G C 1.328 176.253 174.900 0.041 0.000 1.109 317 G CA 1.682 46.815 45.100 0.055 0.000 0.746 317 G HN 0.430 nan 8.290 nan 0.000 0.576 318 C N -1.802 117.521 119.300 0.039 0.000 3.370 318 C HA 0.436 4.886 4.460 -0.017 0.000 0.266 318 C C 1.589 176.604 174.990 0.041 0.000 1.700 318 C CA -0.781 58.255 59.018 0.029 0.000 1.602 318 C CB -0.613 27.137 27.740 0.017 0.000 1.778 318 C HN 0.347 nan 8.230 nan 0.000 0.728 319 R N 2.119 122.671 120.500 0.087 0.000 2.569 319 R HA -0.197 4.133 4.340 -0.017 0.000 0.212 319 R C 0.492 176.813 176.300 0.035 0.000 0.741 319 R CA 0.567 56.757 56.100 0.150 0.000 0.499 319 R CB -1.500 29.153 30.300 0.588 0.000 1.224 319 R HN 0.684 nan 8.270 nan 0.000 0.522 320 D N 0.977 121.387 120.400 0.016 0.000 2.163 320 D HA -0.208 4.422 4.640 -0.017 0.000 0.349 320 D C -0.868 175.421 176.300 -0.018 0.000 1.476 320 D CA 1.507 55.505 54.000 -0.004 0.000 1.265 320 D CB -0.639 40.166 40.800 0.007 0.000 2.179 320 D HN 0.255 nan 8.370 nan 0.000 0.685 321 P HA -0.041 nan 4.420 nan 0.000 0.236 321 P C 1.367 178.667 177.300 0.000 0.000 1.172 321 P CA 0.196 63.295 63.100 -0.001 0.000 0.759 321 P CB -0.018 31.688 31.700 0.009 0.000 0.843 322 V N -0.126 119.785 119.914 -0.006 0.000 2.255 322 V HA -0.271 3.838 4.120 -0.017 0.000 0.247 322 V C 1.599 177.698 176.094 0.009 0.000 1.051 322 V CA 2.347 64.654 62.300 0.011 0.000 1.018 322 V CB -0.153 31.683 31.823 0.021 0.000 0.641 322 V HN 0.197 nan 8.190 nan 0.000 0.445 323 R N -2.375 118.118 120.500 -0.012 0.000 3.352 323 R HA 0.152 4.482 4.340 -0.017 0.000 0.036 323 R C -0.318 175.959 176.300 -0.038 0.000 0.806 323 R CA 0.601 56.700 56.100 -0.002 0.000 2.826 323 R CB 0.567 30.886 30.300 0.032 0.000 1.183 323 R HN 0.323 nan 8.270 nan 0.000 0.505 324 T N 1.304 115.810 114.554 -0.080 0.000 4.374 324 T HA 0.161 4.501 4.350 -0.017 0.000 0.374 324 T C -1.908 172.654 174.700 -0.229 0.000 0.869 324 T CA -0.556 61.407 62.100 -0.227 0.000 0.976 324 T CB 1.057 69.845 68.868 -0.134 0.000 1.201 324 T HN 0.177 nan 8.240 nan 0.000 0.452 325 N N 1.636 120.077 118.700 -0.430 0.000 2.430 325 N HA 0.546 5.276 4.740 -0.017 0.000 0.292 325 N C 0.209 175.642 175.510 -0.128 0.000 1.051 325 N CA -0.615 52.339 53.050 -0.160 0.000 0.917 325 N CB 0.945 39.449 38.487 0.029 0.000 1.164 325 N HN 0.416 nan 8.380 nan 0.000 0.484 326 F N 0.296 120.342 119.950 0.159 0.000 2.656 326 F HA 0.064 4.581 4.527 -0.017 0.000 0.291 326 F C 1.687 177.562 175.800 0.125 0.000 1.122 326 F CA -0.025 58.045 58.000 0.117 0.000 1.427 326 F CB 0.224 39.175 39.000 -0.081 0.000 1.125 326 F HN 0.515 nan 8.300 nan 0.000 0.583 327 D N 0.806 121.362 120.400 0.261 0.000 2.228 327 D HA -0.211 4.419 4.640 -0.017 0.000 0.203 327 D C 1.997 178.413 176.300 0.194 0.000 0.988 327 D CA 1.387 55.498 54.000 0.185 0.000 0.864 327 D CB -0.313 40.573 40.800 0.144 0.000 0.928 327 D HN 0.356 nan 8.370 nan 0.000 0.469 328 A N -0.132 122.859 122.820 0.285 0.000 2.275 328 A HA 0.118 4.428 4.320 -0.017 0.000 0.212 328 A C 1.646 179.359 177.584 0.214 0.000 1.201 328 A CA -0.415 51.807 52.037 0.309 0.000 0.843 328 A CB -0.690 18.637 19.000 0.544 0.000 0.873 328 A HN 0.100 nan 8.150 nan 0.000 0.492 329 F N 2.293 122.176 119.950 -0.112 0.000 2.043 329 F HA -0.156 4.361 4.527 -0.017 0.000 0.297 329 F C -0.467 175.202 175.800 -0.219 0.000 1.118 329 F CA 2.705 60.421 58.000 -0.473 0.000 1.202 329 F CB -0.513 38.213 39.000 -0.458 0.000 0.965 329 F HN 0.214 nan 8.300 nan 0.000 0.482 330 P HA -0.121 nan 4.420 nan 0.000 0.228 330 P C 0.559 177.809 177.300 -0.083 0.000 1.151 330 P CA 1.521 64.579 63.100 -0.069 0.000 0.770 330 P CB -0.182 31.499 31.700 -0.031 0.000 0.786 331 D N -0.058 120.312 120.400 -0.050 0.000 2.323 331 D HA 0.001 4.631 4.640 -0.017 0.000 0.209 331 D C 1.372 177.646 176.300 -0.042 0.000 0.973 331 D CA 0.846 54.834 54.000 -0.021 0.000 0.874 331 D CB 0.261 41.072 40.800 0.018 0.000 0.930 331 D HN 0.326 nan 8.370 nan 0.000 0.521 332 K N -0.170 120.173 120.400 -0.094 0.000 2.402 332 K HA 0.216 4.526 4.320 -0.017 0.000 0.204 332 K C -0.225 176.278 176.600 -0.162 0.000 1.056 332 K CA 0.053 56.292 56.287 -0.079 0.000 1.069 332 K CB 2.428 34.971 32.500 0.072 0.000 0.888 332 K HN -0.164 nan 8.250 nan 0.000 0.546 333 V N 0.744 120.480 119.914 -0.296 0.000 2.888 333 V HA 0.643 4.753 4.120 -0.017 0.000 0.309 333 V C -1.523 174.499 176.094 -0.119 0.000 1.114 333 V CA -1.163 60.996 62.300 -0.235 0.000 0.940 333 V CB 1.939 33.365 31.823 -0.661 0.000 1.021 333 V HN 0.089 nan 8.190 nan 0.000 0.426 334 A N 3.915 126.731 122.820 -0.007 0.000 2.374 334 A HA 0.941 5.251 4.320 -0.017 0.000 0.305 334 A C -1.298 176.334 177.584 0.081 0.000 1.053 334 A CA -0.475 51.580 52.037 0.030 0.000 0.726 334 A CB 1.470 20.416 19.000 -0.089 0.000 1.229 334 A HN 1.327 nan 8.150 nan 0.000 0.431 335 I N 0.806 121.457 120.570 0.136 0.000 2.436 335 I HA 0.690 4.850 4.170 -0.017 0.000 0.289 335 I C -0.675 175.550 176.117 0.181 0.000 1.010 335 I CA -0.450 60.938 61.300 0.146 0.000 1.098 335 I CB 2.041 40.102 38.000 0.101 0.000 1.266 335 I HN 0.571 nan 8.210 nan 0.000 0.434 336 Q N 6.609 126.510 119.800 0.169 0.000 2.347 336 Q HA 0.541 4.871 4.340 -0.017 0.000 0.262 336 Q C -1.811 174.202 176.000 0.021 0.000 0.980 336 Q CA -0.487 55.453 55.803 0.227 0.000 0.867 336 Q CB 1.224 30.234 28.738 0.454 0.000 1.242 336 Q HN 0.722 nan 8.270 nan 0.000 0.453 337 L N 4.107 125.384 121.223 0.090 0.000 2.261 337 L HA 0.344 4.674 4.340 -0.017 0.000 0.289 337 L C -0.081 176.802 176.870 0.022 0.000 1.059 337 L CA -0.306 54.568 54.840 0.056 0.000 0.816 337 L CB 0.172 42.330 42.059 0.163 0.000 1.191 337 L HN 0.684 nan 8.230 nan 0.000 0.431 338 N N 4.242 122.876 118.700 -0.111 0.000 2.448 338 N HA 0.109 4.839 4.740 -0.017 0.000 0.250 338 N C -0.122 175.380 175.510 -0.014 0.000 1.136 338 N CA 0.491 53.513 53.050 -0.046 0.000 0.953 338 N CB 0.046 38.428 38.487 -0.174 0.000 1.251 338 N HN 0.552 nan 8.380 nan 0.000 0.502 339 D N 0.016 120.466 120.400 0.084 0.000 9.601 339 D HA -0.220 4.410 4.640 -0.017 0.000 0.351 339 D C 0.416 176.791 176.300 0.124 0.000 2.917 339 D CA 1.346 55.366 54.000 0.034 0.000 2.218 339 D CB -0.355 40.242 40.800 -0.339 0.000 1.166 339 D HN 0.538 nan 8.370 nan 0.000 1.105 340 T N -1.723 112.928 114.554 0.162 0.000 3.160 340 T HA 0.009 4.349 4.350 -0.017 0.000 0.257 340 T C 1.684 176.504 174.700 0.200 0.000 1.147 340 T CA 1.829 64.028 62.100 0.165 0.000 1.064 340 T CB -0.508 68.442 68.868 0.136 0.000 0.949 340 T HN 0.531 nan 8.240 nan 0.000 0.526 341 H N 2.748 121.927 119.070 0.183 0.000 2.289 341 H HA -0.046 4.500 4.556 -0.017 0.000 0.294 341 H C -0.859 174.568 175.328 0.165 0.000 1.095 341 H CA 1.360 57.521 56.048 0.188 0.000 1.256 341 H CB -1.232 28.639 29.762 0.182 0.000 1.359 341 H HN 0.459 nan 8.280 nan 0.000 0.487 342 P HA 0.057 nan 4.420 nan 0.000 0.254 342 P C 0.728 178.086 177.300 0.096 0.000 1.494 342 P CA 0.442 63.630 63.100 0.147 0.000 0.961 342 P CB 0.187 31.956 31.700 0.115 0.000 1.493 343 S N -0.519 115.238 115.700 0.095 0.000 2.440 343 S HA -0.149 4.311 4.470 -0.017 0.000 0.238 343 S C 1.675 176.287 174.600 0.020 0.000 1.010 343 S CA 0.772 58.990 58.200 0.031 0.000 0.972 343 S CB -1.185 62.008 63.200 -0.011 0.000 0.774 343 S HN 0.019 nan 8.310 nan 0.000 0.501 344 L N 1.683 122.926 121.223 0.034 0.000 2.450 344 L HA 0.223 4.553 4.340 -0.017 0.000 0.224 344 L C 2.641 179.538 176.870 0.044 0.000 1.149 344 L CA 0.631 55.486 54.840 0.025 0.000 0.816 344 L CB -1.643 40.431 42.059 0.024 0.000 0.932 344 L HN 0.457 nan 8.230 nan 0.000 0.449 345 A N -0.619 122.214 122.820 0.021 0.000 2.024 345 A HA -0.194 4.116 4.320 -0.017 0.000 0.220 345 A C 2.294 179.877 177.584 -0.000 0.000 1.164 345 A CA 1.527 53.561 52.037 -0.005 0.000 0.643 345 A CB -0.479 18.513 19.000 -0.012 0.000 0.806 345 A HN 0.403 nan 8.150 nan 0.000 0.451 346 I N 0.185 120.762 120.570 0.011 0.000 2.090 346 I HA -0.152 4.008 4.170 -0.017 0.000 0.236 346 I C -0.467 175.676 176.117 0.042 0.000 1.064 346 I CA 1.591 62.901 61.300 0.016 0.000 1.324 346 I CB -0.916 37.097 38.000 0.022 0.000 1.044 346 I HN 0.226 nan 8.210 nan 0.000 0.399 347 P HA -0.131 nan 4.420 nan 0.000 0.225 347 P C 1.230 178.567 177.300 0.061 0.000 1.156 347 P CA 1.239 64.378 63.100 0.066 0.000 0.787 347 P CB 0.026 31.789 31.700 0.106 0.000 0.802 348 E N 0.300 120.586 120.200 0.144 0.000 2.106 348 E HA -0.141 4.199 4.350 -0.017 0.000 0.192 348 E C 1.780 178.374 176.600 -0.010 0.000 0.984 348 E CA 0.702 57.205 56.400 0.171 0.000 0.806 348 E CB -1.215 28.622 29.700 0.229 0.000 0.750 348 E HN 0.019 nan 8.360 nan 0.000 0.458 349 L N -0.159 121.028 121.223 -0.060 0.000 2.093 349 L HA -0.024 4.306 4.340 -0.017 0.000 0.208 349 L C 1.974 178.721 176.870 -0.206 0.000 1.085 349 L CA 1.629 56.377 54.840 -0.152 0.000 0.755 349 L CB -0.599 41.371 42.059 -0.149 0.000 0.904 349 L HN 0.176 nan 8.230 nan 0.000 0.435 350 M N -0.552 118.946 119.600 -0.170 0.000 2.117 350 M HA -0.174 4.296 4.480 -0.017 0.000 0.262 350 M C 2.413 178.580 176.300 -0.221 0.000 1.065 350 M CA 1.461 56.620 55.300 -0.234 0.000 1.114 350 M CB -1.141 31.327 32.600 -0.220 0.000 1.361 350 M HN 0.334 nan 8.290 nan 0.000 0.408 351 R N -0.100 120.288 120.500 -0.187 0.000 2.097 351 R HA -0.158 4.172 4.340 -0.017 0.000 0.236 351 R C 2.032 178.231 176.300 -0.170 0.000 1.135 351 R CA 2.099 58.079 56.100 -0.200 0.000 0.934 351 R CB -0.299 29.842 30.300 -0.264 0.000 0.846 351 R HN 0.221 nan 8.270 nan 0.000 0.431 352 V N 1.490 121.305 119.914 -0.165 0.000 2.261 352 V HA -0.266 3.844 4.120 -0.017 0.000 0.246 352 V C 2.522 178.460 176.094 -0.259 0.000 1.047 352 V CA 1.890 64.085 62.300 -0.176 0.000 1.015 352 V CB -0.580 31.144 31.823 -0.165 0.000 0.642 352 V HN 0.346 nan 8.190 nan 0.000 0.446 353 L N -0.334 120.677 121.223 -0.353 0.000 1.990 353 L HA -0.221 4.109 4.340 -0.017 0.000 0.213 353 L C 2.463 179.143 176.870 -0.316 0.000 1.072 353 L CA 1.635 56.191 54.840 -0.473 0.000 0.755 353 L CB -0.783 40.984 42.059 -0.487 0.000 0.889 353 L HN 0.214 nan 8.230 nan 0.000 0.432 354 V N -0.222 119.553 119.914 -0.231 0.000 2.221 354 V HA -0.288 3.822 4.120 -0.017 0.000 0.240 354 V C 2.138 178.174 176.094 -0.097 0.000 1.041 354 V CA 2.136 64.356 62.300 -0.133 0.000 0.991 354 V CB -0.527 31.251 31.823 -0.075 0.000 0.634 354 V HN 0.399 nan 8.190 nan 0.000 0.450 355 D N -0.289 120.053 120.400 -0.096 0.000 2.117 355 D HA -0.100 4.530 4.640 -0.017 0.000 0.197 355 D C 1.853 178.107 176.300 -0.076 0.000 0.987 355 D CA 1.271 55.224 54.000 -0.078 0.000 0.829 355 D CB -0.138 40.610 40.800 -0.087 0.000 0.961 355 D HN 0.249 nan 8.370 nan 0.000 0.460 356 L N 0.427 121.590 121.223 -0.099 0.000 2.200 356 L HA 0.070 4.399 4.340 -0.017 0.000 0.200 356 L C 2.017 178.829 176.870 -0.098 0.000 1.072 356 L CA 0.976 55.765 54.840 -0.084 0.000 0.787 356 L CB -0.396 41.618 42.059 -0.075 0.000 0.957 356 L HN -0.141 nan 8.230 nan 0.000 0.459 357 E N 0.372 120.472 120.200 -0.167 0.000 2.435 357 E HA 0.000 4.340 4.350 -0.017 0.000 0.195 357 E C 0.135 176.658 176.600 -0.129 0.000 1.029 357 E CA -0.011 56.278 56.400 -0.186 0.000 0.865 357 E CB 0.065 29.511 29.700 -0.423 0.000 0.833 357 E HN 0.211 nan 8.360 nan 0.000 0.510 358 R N -0.080 120.356 120.500 -0.107 0.000 3.332 358 R HA -0.180 4.150 4.340 -0.017 0.000 0.263 358 R C -0.543 175.724 176.300 -0.054 0.000 1.053 358 R CA 0.119 56.183 56.100 -0.060 0.000 0.705 358 R CB -2.151 28.131 30.300 -0.030 0.000 1.166 358 R HN 0.042 nan 8.270 nan 0.000 0.427 359 L N 0.653 121.822 121.223 -0.091 0.000 2.343 359 L HA 0.307 4.637 4.340 -0.017 0.000 0.275 359 L C 0.102 176.961 176.870 -0.018 0.000 1.056 359 L CA -0.195 54.602 54.840 -0.071 0.000 0.804 359 L CB 1.205 43.164 42.059 -0.167 0.000 1.203 359 L HN 0.105 nan 8.230 nan 0.000 0.440 360 D N 1.910 122.324 120.400 0.023 0.000 2.423 360 D HA -0.064 4.566 4.640 -0.017 0.000 0.238 360 D C 0.190 176.570 176.300 0.134 0.000 1.142 360 D CA 0.199 54.248 54.000 0.082 0.000 0.884 360 D CB 0.403 41.248 40.800 0.075 0.000 1.199 360 D HN 0.468 nan 8.370 nan 0.000 0.438 361 W N 1.457 122.755 121.300 -0.003 0.000 2.301 361 W HA -0.266 4.384 4.660 -0.017 0.000 0.325 361 W C 1.735 178.301 176.519 0.079 0.000 1.250 361 W CA 1.721 59.073 57.345 0.012 0.000 1.261 361 W CB -0.230 29.213 29.460 -0.029 0.000 1.157 361 W HN 0.475 nan 8.180 nan 0.000 0.473 362 D N -0.247 120.372 120.400 0.364 0.000 2.154 362 D HA -0.256 4.374 4.640 -0.017 0.000 0.190 362 D C 2.025 178.445 176.300 0.199 0.000 1.003 362 D CA 1.822 55.999 54.000 0.295 0.000 0.849 362 D CB -0.662 40.267 40.800 0.216 0.000 0.942 362 D HN -0.009 nan 8.370 nan 0.000 0.446 363 K N 0.691 121.164 120.400 0.121 0.000 2.026 363 K HA -0.036 4.274 4.320 -0.017 0.000 0.208 363 K C 1.982 178.587 176.600 0.009 0.000 1.048 363 K CA 1.355 57.680 56.287 0.063 0.000 0.929 363 K CB -0.643 31.885 32.500 0.046 0.000 0.713 363 K HN 0.098 nan 8.250 nan 0.000 0.439 364 A N 0.591 123.382 122.820 -0.049 0.000 1.902 364 A HA -0.182 4.128 4.320 -0.017 0.000 0.217 364 A C 2.226 179.727 177.584 -0.138 0.000 1.181 364 A CA 1.348 53.291 52.037 -0.157 0.000 0.623 364 A CB -1.056 17.793 19.000 -0.252 0.000 0.818 364 A HN 0.664 nan 8.150 nan 0.000 0.443 365 W N 0.927 122.015 121.300 -0.352 0.000 2.335 365 W HA -0.257 4.393 4.660 -0.016 0.000 0.311 365 W C 2.037 178.470 176.519 -0.144 0.000 1.213 365 W CA 2.008 59.146 57.345 -0.346 0.000 1.274 365 W CB -0.114 29.176 29.460 -0.284 0.000 1.148 365 W HN 0.628 nan 8.180 nan 0.000 0.498 366 E N 0.344 120.506 120.200 -0.064 0.000 2.070 366 E HA -0.260 4.080 4.350 -0.017 0.000 0.197 366 E C 1.948 178.446 176.600 -0.169 0.000 1.004 366 E CA 2.623 58.957 56.400 -0.110 0.000 0.805 366 E CB -0.679 29.030 29.700 0.014 0.000 0.744 366 E HN 0.067 nan 8.360 nan 0.000 0.451 367 V N 0.843 120.682 119.914 -0.125 0.000 2.255 367 V HA -0.301 3.809 4.120 -0.017 0.000 0.247 367 V C 2.472 178.487 176.094 -0.132 0.000 1.051 367 V CA 2.309 64.556 62.300 -0.088 0.000 1.018 367 V CB -0.943 30.835 31.823 -0.075 0.000 0.641 367 V HN 0.460 nan 8.190 nan 0.000 0.445 368 T N 0.009 114.412 114.554 -0.252 0.000 2.684 368 T HA -0.198 4.142 4.350 -0.017 0.000 0.267 368 T C 1.915 176.415 174.700 -0.334 0.000 1.036 368 T CA 1.812 63.733 62.100 -0.299 0.000 1.148 368 T CB -0.331 68.303 68.868 -0.389 0.000 0.863 368 T HN 0.270 nan 8.240 nan 0.000 0.436 369 V N 1.751 121.342 119.914 -0.538 0.000 2.233 369 V HA -0.209 3.901 4.120 -0.017 0.000 0.247 369 V C 2.434 178.431 176.094 -0.161 0.000 1.050 369 V CA 1.683 63.726 62.300 -0.428 0.000 1.010 369 V CB -0.506 30.992 31.823 -0.542 0.000 0.637 369 V HN 0.495 nan 8.190 nan 0.000 0.444 370 K N -0.349 119.938 120.400 -0.189 0.000 2.281 370 K HA -0.135 4.175 4.320 -0.017 0.000 0.203 370 K C 2.029 178.493 176.600 -0.226 0.000 1.046 370 K CA 1.720 57.860 56.287 -0.245 0.000 0.938 370 K CB -0.330 32.065 32.500 -0.175 0.000 0.737 370 K HN 0.513 nan 8.250 nan 0.000 0.458 371 T N 0.337 114.857 114.554 -0.056 0.000 3.010 371 T HA 0.022 4.362 4.350 -0.017 0.000 0.252 371 T C 1.047 175.834 174.700 0.144 0.000 1.047 371 T CA 0.295 62.421 62.100 0.044 0.000 1.140 371 T CB 0.102 69.049 68.868 0.132 0.000 0.885 371 T HN 0.167 nan 8.240 nan 0.000 0.464 372 C N 2.469 121.853 119.300 0.141 0.000 2.401 372 C HA 0.858 5.308 4.460 -0.017 0.000 0.365 372 C C 0.570 175.699 174.990 0.232 0.000 1.250 372 C CA -1.087 58.024 59.018 0.156 0.000 2.131 372 C CB -0.026 27.730 27.740 0.028 0.000 2.445 372 C HN 0.589 nan 8.230 nan 0.000 0.550 373 A N 2.338 125.270 122.820 0.186 0.000 2.455 373 A HA 0.717 5.027 4.320 -0.017 0.000 0.300 373 A C -1.527 176.166 177.584 0.182 0.000 1.040 373 A CA -0.375 51.721 52.037 0.099 0.000 0.697 373 A CB 1.000 20.078 19.000 0.131 0.000 1.265 373 A HN 0.931 nan 8.150 nan 0.000 0.407 374 Y N 1.284 121.560 120.300 -0.040 0.000 2.391 374 Y HA 0.698 5.239 4.550 -0.016 0.000 0.341 374 Y C -0.513 175.379 175.900 -0.014 0.000 0.965 374 Y CA -0.383 57.700 58.100 -0.029 0.000 1.067 374 Y CB 2.081 40.478 38.460 -0.105 0.000 1.199 374 Y HN 0.565 nan 8.280 nan 0.000 0.450 375 T N 6.625 120.895 114.554 -0.472 0.000 2.794 375 T HA 0.241 4.581 4.350 -0.017 0.000 0.280 375 T C -0.750 173.425 174.700 -0.876 0.000 0.987 375 T CA -0.842 60.948 62.100 -0.516 0.000 0.993 375 T CB 0.536 69.352 68.868 -0.087 0.000 0.939 375 T HN 0.689 nan 8.240 nan 0.000 0.449 376 N N 1.456 119.716 118.700 -0.733 0.000 2.473 376 N HA 0.125 4.855 4.740 -0.017 0.000 0.291 376 N C -0.006 175.365 175.510 -0.231 0.000 1.083 376 N CA -0.312 52.518 53.050 -0.367 0.000 0.951 376 N CB 0.847 39.306 38.487 -0.047 0.000 1.164 376 N HN 0.636 nan 8.380 nan 0.000 0.480 377 H N 0.924 120.003 119.070 0.014 0.000 2.986 377 H HA 0.185 4.731 4.556 -0.017 0.000 0.267 377 H C -0.200 175.043 175.328 -0.141 0.000 1.072 377 H CA 0.160 56.174 56.048 -0.057 0.000 1.202 377 H CB 1.083 30.819 29.762 -0.045 0.000 1.535 377 H HN 0.584 nan 8.280 nan 0.000 0.522 378 T N -0.908 113.671 114.554 0.042 0.000 2.775 378 T HA 0.203 4.543 4.350 -0.017 0.000 0.320 378 T C -0.336 174.394 174.700 0.050 0.000 1.597 378 T CA -0.337 61.738 62.100 -0.042 0.000 1.022 378 T CB 1.354 70.195 68.868 -0.046 0.000 1.485 378 T HN -0.139 nan 8.240 nan 0.000 0.494 379 V N 2.383 122.285 119.914 -0.021 0.000 3.604 379 V HA 0.481 4.591 4.120 -0.017 0.000 0.277 379 V C 0.628 176.680 176.094 -0.070 0.000 1.399 379 V CA -0.137 62.143 62.300 -0.033 0.000 1.034 379 V CB -0.102 31.712 31.823 -0.015 0.000 0.824 379 V HN 0.781 nan 8.190 nan 0.000 0.439 380 I N 3.492 124.005 120.570 -0.094 0.000 2.742 380 I HA 0.049 4.209 4.170 -0.017 0.000 0.287 380 I C -0.753 175.338 176.117 -0.044 0.000 1.186 380 I CA -0.533 60.724 61.300 -0.071 0.000 1.417 380 I CB 0.550 38.471 38.000 -0.133 0.000 1.377 380 I HN 0.191 nan 8.210 nan 0.000 0.556 381 P HA -0.196 nan 4.420 nan 0.000 0.216 381 P C 0.947 178.207 177.300 -0.066 0.000 1.150 381 P CA 1.410 64.479 63.100 -0.052 0.000 0.837 381 P CB 0.043 31.721 31.700 -0.038 0.000 0.786 382 E N 0.236 120.419 120.200 -0.030 0.000 2.333 382 E HA -0.036 4.304 4.350 -0.017 0.000 0.198 382 E C 1.956 178.457 176.600 -0.165 0.000 1.007 382 E CA 1.154 57.508 56.400 -0.076 0.000 0.845 382 E CB -0.823 28.919 29.700 0.069 0.000 0.766 382 E HN 0.233 nan 8.360 nan 0.000 0.507 383 A N 0.749 123.529 122.820 -0.067 0.000 2.132 383 A HA 0.164 4.474 4.320 -0.017 0.000 0.213 383 A C 0.816 178.358 177.584 -0.070 0.000 1.154 383 A CA -0.126 51.900 52.037 -0.019 0.000 0.753 383 A CB -0.136 18.887 19.000 0.039 0.000 0.826 383 A HN 0.116 nan 8.150 nan 0.000 0.469 384 L N 1.203 122.333 121.223 -0.155 0.000 2.426 384 L HA 0.146 4.476 4.340 -0.017 0.000 0.271 384 L C 0.105 176.590 176.870 -0.642 0.000 1.169 384 L CA -0.040 54.647 54.840 -0.254 0.000 0.836 384 L CB 0.578 42.559 42.059 -0.129 0.000 1.112 384 L HN 0.271 nan 8.230 nan 0.000 0.465 385 E N 3.989 123.743 120.200 -0.744 0.000 2.152 385 E HA 0.291 4.631 4.350 -0.017 0.000 0.285 385 E C -0.711 175.219 176.600 -1.117 0.000 1.043 385 E CA -0.324 55.168 56.400 -1.514 0.000 0.839 385 E CB 0.734 30.023 29.700 -0.686 0.000 1.069 385 E HN 0.384 nan 8.360 nan 0.000 0.399 386 R N 3.850 123.503 120.500 -1.411 0.000 2.472 386 R HA 0.195 4.525 4.340 -0.017 0.000 0.294 386 R C -1.238 174.920 176.300 -0.236 0.000 1.243 386 R CA -0.615 55.175 56.100 -0.517 0.000 1.023 386 R CB 0.845 30.948 30.300 -0.327 0.000 1.157 386 R HN 0.449 nan 8.270 nan 0.000 0.530 387 W N 4.295 125.567 121.300 -0.047 0.000 2.311 387 W HA 0.258 4.908 4.660 -0.017 0.000 0.310 387 W C -1.901 174.594 176.519 -0.040 0.000 1.274 387 W CA -2.143 55.231 57.345 0.048 0.000 1.215 387 W CB 0.688 30.163 29.460 0.026 0.000 1.227 387 W HN 0.246 nan 8.180 nan 0.000 0.523 388 P HA -0.142 nan 4.420 nan 0.000 0.261 388 P C 0.826 178.069 177.300 -0.094 0.000 1.183 388 P CA 0.370 63.430 63.100 -0.066 0.000 0.761 388 P CB 0.824 32.282 31.700 -0.403 0.000 0.785 389 V N 4.502 124.414 119.914 -0.004 0.000 2.626 389 V HA -0.266 3.844 4.120 -0.017 0.000 0.252 389 V C 1.870 177.996 176.094 0.054 0.000 1.067 389 V CA 2.300 64.617 62.300 0.028 0.000 1.081 389 V CB -1.517 30.360 31.823 0.090 0.000 0.686 389 V HN 0.673 nan 8.190 nan 0.000 0.468 390 H N -0.456 118.677 119.070 0.104 0.000 2.456 390 H HA -0.070 4.476 4.556 -0.017 0.000 0.296 390 H C 1.777 177.158 175.328 0.088 0.000 1.079 390 H CA 2.145 58.249 56.048 0.093 0.000 1.322 390 H CB -0.754 29.064 29.762 0.093 0.000 1.388 390 H HN 0.448 nan 8.280 nan 0.000 0.538 391 L N -0.371 120.780 121.223 -0.121 0.000 2.044 391 L HA 0.030 4.360 4.340 -0.017 0.000 0.205 391 L C 2.367 179.222 176.870 -0.026 0.000 1.075 391 L CA 1.001 55.831 54.840 -0.016 0.000 0.747 391 L CB -0.403 41.594 42.059 -0.104 0.000 0.903 391 L HN 0.298 nan 8.230 nan 0.000 0.435 392 L N -1.068 120.109 121.223 -0.078 0.000 2.027 392 L HA -0.171 4.159 4.340 -0.017 0.000 0.206 392 L C 2.560 179.386 176.870 -0.073 0.000 1.074 392 L CA 0.929 55.692 54.840 -0.129 0.000 0.745 392 L CB -0.554 41.404 42.059 -0.169 0.000 0.898 392 L HN 0.199 nan 8.230 nan 0.000 0.433 393 E N -0.158 120.040 120.200 -0.004 0.000 2.114 393 E HA -0.218 4.122 4.350 -0.017 0.000 0.199 393 E C 2.087 178.731 176.600 0.074 0.000 1.008 393 E CA 2.122 58.547 56.400 0.043 0.000 0.810 393 E CB -0.318 29.447 29.700 0.109 0.000 0.739 393 E HN 0.497 nan 8.360 nan 0.000 0.456 394 T N 0.762 115.383 114.554 0.111 0.000 2.735 394 T HA 0.005 4.345 4.350 -0.017 0.000 0.256 394 T C 2.013 176.843 174.700 0.217 0.000 1.042 394 T CA 0.635 62.848 62.100 0.188 0.000 1.147 394 T CB -0.362 68.642 68.868 0.228 0.000 0.865 394 T HN 0.097 nan 8.240 nan 0.000 0.421 395 L N -0.069 121.201 121.223 0.078 0.000 2.109 395 L HA 0.219 4.548 4.340 -0.017 0.000 0.207 395 L C 0.187 176.994 176.870 -0.105 0.000 1.086 395 L CA 1.395 56.166 54.840 -0.115 0.000 0.760 395 L CB 0.038 42.003 42.059 -0.155 0.000 0.910 395 L HN 0.276 nan 8.230 nan 0.000 0.437 396 L N 0.208 121.337 121.223 -0.157 0.000 2.472 396 L HA 0.219 4.549 4.340 -0.017 0.000 0.256 396 L C -1.673 175.018 176.870 -0.298 0.000 1.560 396 L CA -0.845 53.811 54.840 -0.307 0.000 0.805 396 L CB 1.092 42.829 42.059 -0.537 0.000 1.017 396 L HN -0.145 nan 8.230 nan 0.000 0.519 397 P HA -0.230 nan 4.420 nan 0.000 0.216 397 P C 1.373 178.481 177.300 -0.320 0.000 1.150 397 P CA 1.187 64.178 63.100 -0.183 0.000 0.843 397 P CB 0.425 32.105 31.700 -0.033 0.000 0.787 398 R N -0.282 119.812 120.500 -0.675 0.000 2.148 398 R HA -0.090 4.240 4.340 -0.017 0.000 0.223 398 R C 2.208 178.170 176.300 -0.562 0.000 1.088 398 R CA 1.390 57.101 56.100 -0.648 0.000 0.985 398 R CB -1.667 28.066 30.300 -0.945 0.000 0.880 398 R HN 0.302 nan 8.270 nan 0.000 0.451 399 H N -0.741 118.018 119.070 -0.518 0.000 2.428 399 H HA 0.026 4.572 4.556 -0.017 0.000 0.296 399 H C 1.724 176.873 175.328 -0.300 0.000 1.062 399 H CA 1.318 57.139 56.048 -0.378 0.000 1.350 399 H CB 0.037 29.543 29.762 -0.427 0.000 1.403 399 H HN 0.036 nan 8.280 nan 0.000 0.533 400 L N 0.392 121.487 121.223 -0.215 0.000 2.093 400 L HA -0.199 4.131 4.340 -0.017 0.000 0.208 400 L C 1.875 178.556 176.870 -0.315 0.000 1.085 400 L CA 1.441 56.077 54.840 -0.341 0.000 0.755 400 L CB -0.255 41.621 42.059 -0.305 0.000 0.904 400 L HN 0.358 nan 8.230 nan 0.000 0.435 401 Q N -0.149 119.577 119.800 -0.123 0.000 2.061 401 Q HA -0.235 4.095 4.340 -0.017 0.000 0.204 401 Q C 2.197 178.211 176.000 0.024 0.000 0.984 401 Q CA 1.911 57.731 55.803 0.028 0.000 0.846 401 Q CB -0.051 28.715 28.738 0.046 0.000 0.902 401 Q HN 0.514 nan 8.270 nan 0.000 0.421 402 I N 0.129 120.677 120.570 -0.037 0.000 2.226 402 I HA -0.308 3.852 4.170 -0.017 0.000 0.245 402 I C 2.044 178.211 176.117 0.083 0.000 1.100 402 I CA 1.086 62.419 61.300 0.054 0.000 1.374 402 I CB -0.164 37.812 38.000 -0.040 0.000 1.057 402 I HN 0.267 nan 8.210 nan 0.000 0.413 403 I N -0.558 119.995 120.570 -0.028 0.000 2.226 403 I HA -0.328 3.832 4.170 -0.017 0.000 0.245 403 I C 2.441 178.567 176.117 0.014 0.000 1.100 403 I CA 1.470 62.742 61.300 -0.045 0.000 1.374 403 I CB -0.438 37.463 38.000 -0.164 0.000 1.057 403 I HN 0.181 nan 8.210 nan 0.000 0.413 404 Y N 1.006 121.307 120.300 0.002 0.000 2.165 404 Y HA -0.237 4.303 4.550 -0.017 0.000 0.286 404 Y C 2.651 178.517 175.900 -0.057 0.000 1.155 404 Y CA 0.992 59.080 58.100 -0.019 0.000 1.164 404 Y CB -0.673 37.770 38.460 -0.030 0.000 0.978 404 Y HN 0.147 nan 8.280 nan 0.000 0.513 405 E N 0.048 120.290 120.200 0.070 0.000 2.085 405 E HA -0.165 4.175 4.350 -0.017 0.000 0.194 405 E C 2.229 178.688 176.600 -0.235 0.000 0.994 405 E CA 0.984 57.289 56.400 -0.159 0.000 0.801 405 E CB -0.261 29.336 29.700 -0.172 0.000 0.743 405 E HN 0.335 nan 8.360 nan 0.000 0.453 406 I N 1.013 121.593 120.570 0.016 0.000 2.179 406 I HA -0.244 3.916 4.170 -0.017 0.000 0.242 406 I C 2.230 178.388 176.117 0.067 0.000 1.088 406 I CA 1.056 62.387 61.300 0.052 0.000 1.357 406 I CB -1.402 36.628 38.000 0.050 0.000 1.051 406 I HN 0.125 nan 8.210 nan 0.000 0.409 407 N N 1.112 119.876 118.700 0.107 0.000 2.025 407 N HA -0.222 4.508 4.740 -0.017 0.000 0.194 407 N C 1.869 177.469 175.510 0.149 0.000 1.044 407 N CA 1.639 54.804 53.050 0.192 0.000 0.851 407 N CB -0.084 38.522 38.487 0.197 0.000 1.036 407 N HN 0.309 nan 8.380 nan 0.000 0.422 408 Q N 0.084 119.908 119.800 0.040 0.000 1.943 408 Q HA -0.262 4.068 4.340 -0.017 0.000 0.213 408 Q C 2.241 178.216 176.000 -0.042 0.000 1.017 408 Q CA 2.007 57.790 55.803 -0.033 0.000 0.874 408 Q CB -0.471 28.201 28.738 -0.111 0.000 0.960 408 Q HN 0.448 nan 8.270 nan 0.000 0.417 409 R N -0.349 120.082 120.500 -0.115 0.000 2.119 409 R HA -0.193 4.137 4.340 -0.017 0.000 0.246 409 R C 2.173 178.495 176.300 0.036 0.000 1.146 409 R CA 1.720 57.757 56.100 -0.106 0.000 0.962 409 R CB -0.511 29.624 30.300 -0.274 0.000 0.863 409 R HN 0.226 nan 8.270 nan 0.000 0.442 410 F N 1.156 121.091 119.950 -0.025 0.000 2.113 410 F HA -0.100 4.417 4.527 -0.017 0.000 0.297 410 F C 1.838 177.666 175.800 0.047 0.000 1.103 410 F CA 1.375 59.410 58.000 0.060 0.000 1.248 410 F CB -0.200 38.864 39.000 0.106 0.000 0.999 410 F HN -0.099 nan 8.300 nan 0.000 0.475 411 L N 0.316 121.505 121.223 -0.057 0.000 2.376 411 L HA -0.173 4.157 4.340 -0.017 0.000 0.219 411 L C 1.734 178.518 176.870 -0.144 0.000 1.133 411 L CA 0.661 55.407 54.840 -0.157 0.000 0.816 411 L CB -0.731 41.322 42.059 -0.009 0.000 0.933 411 L HN 0.252 nan 8.230 nan 0.000 0.449 412 N N 0.142 118.779 118.700 -0.104 0.000 2.409 412 N HA -0.106 4.624 4.740 -0.017 0.000 0.179 412 N C 1.812 177.270 175.510 -0.088 0.000 1.032 412 N CA 0.710 53.712 53.050 -0.081 0.000 0.898 412 N CB 0.049 38.496 38.487 -0.066 0.000 0.971 412 N HN 0.387 nan 8.380 nan 0.000 0.441 413 R N 0.553 120.974 120.500 -0.131 0.000 2.080 413 R HA 0.073 4.403 4.340 -0.017 0.000 0.222 413 R C 2.187 178.414 176.300 -0.121 0.000 1.107 413 R CA 0.468 56.500 56.100 -0.114 0.000 0.980 413 R CB 0.003 30.254 30.300 -0.083 0.000 0.879 413 R HN -0.043 nan 8.270 nan 0.000 0.439 414 V N 1.005 120.788 119.914 -0.218 0.000 2.261 414 V HA -0.253 3.857 4.120 -0.017 0.000 0.246 414 V C 2.415 178.553 176.094 0.073 0.000 1.047 414 V CA 1.967 64.234 62.300 -0.055 0.000 1.015 414 V CB -0.851 30.812 31.823 -0.267 0.000 0.642 414 V HN 0.431 nan 8.190 nan 0.000 0.446 415 A N 0.381 123.187 122.820 -0.023 0.000 1.909 415 A HA -0.353 3.957 4.320 -0.017 0.000 0.221 415 A C 2.424 180.005 177.584 -0.004 0.000 1.223 415 A CA 3.189 55.221 52.037 -0.008 0.000 0.658 415 A CB -1.170 17.807 19.000 -0.038 0.000 0.831 415 A HN 0.690 nan 8.150 nan 0.000 0.462 416 A N -0.912 121.889 122.820 -0.032 0.000 1.933 416 A HA 0.171 4.481 4.320 -0.017 0.000 0.218 416 A C 2.499 180.023 177.584 -0.101 0.000 1.175 416 A CA 2.318 54.322 52.037 -0.054 0.000 0.628 416 A CB -0.941 18.028 19.000 -0.053 0.000 0.814 416 A HN 1.228 nan 8.150 nan 0.000 0.444 417 A N -1.299 121.444 122.820 -0.129 0.000 1.897 417 A HA 0.274 4.583 4.320 -0.017 0.000 0.215 417 A C 0.673 177.856 177.584 -0.668 0.000 1.181 417 A CA 0.792 52.587 52.037 -0.402 0.000 0.620 417 A CB -0.281 18.472 19.000 -0.411 0.000 0.821 417 A HN 0.477 nan 8.150 nan 0.000 0.443 418 F N 0.262 120.166 119.950 -0.077 0.000 2.471 418 F HA 0.336 4.853 4.527 -0.017 0.000 0.318 418 F C -2.652 173.112 175.800 -0.060 0.000 1.308 418 F CA -3.170 54.790 58.000 -0.067 0.000 1.162 418 F CB 0.437 39.390 39.000 -0.078 0.000 1.383 418 F HN -0.053 nan 8.300 nan 0.000 0.552 419 P HA 0.094 nan 4.420 nan 0.000 0.258 419 P C 1.101 178.418 177.300 0.029 0.000 1.172 419 P CA 1.363 64.471 63.100 0.014 0.000 0.762 419 P CB 0.660 32.348 31.700 -0.019 0.000 0.764 420 G N 3.061 111.874 108.800 0.022 0.000 2.253 420 G HA2 -0.258 3.692 3.960 -0.017 0.000 0.251 420 G HA3 -0.258 3.692 3.960 -0.017 0.000 0.251 420 G C 0.364 175.275 174.900 0.018 0.000 0.998 420 G CA 0.052 45.161 45.100 0.015 0.000 0.621 420 G HN 0.590 nan 8.290 nan 0.000 0.524 421 D N 1.469 121.893 120.400 0.041 0.000 2.482 421 D HA 0.361 4.991 4.640 -0.017 0.000 0.244 421 D C 1.741 178.033 176.300 -0.013 0.000 1.242 421 D CA 0.478 54.491 54.000 0.022 0.000 1.097 421 D CB 0.390 41.218 40.800 0.045 0.000 1.109 421 D HN 0.148 nan 8.370 nan 0.000 0.510 422 V N 3.001 122.907 119.914 -0.012 0.000 2.515 422 V HA -0.166 3.944 4.120 -0.017 0.000 0.250 422 V C 1.985 178.064 176.094 -0.026 0.000 1.058 422 V CA 1.344 63.633 62.300 -0.017 0.000 1.064 422 V CB -0.152 31.664 31.823 -0.010 0.000 0.675 422 V HN 0.502 nan 8.190 nan 0.000 0.461 423 D N -0.378 120.004 120.400 -0.030 0.000 2.123 423 D HA -0.138 4.492 4.640 -0.017 0.000 0.200 423 D C 2.315 178.582 176.300 -0.055 0.000 0.976 423 D CA 0.912 54.893 54.000 -0.031 0.000 0.831 423 D CB -0.045 40.740 40.800 -0.024 0.000 0.974 423 D HN 0.292 nan 8.370 nan 0.000 0.469 424 R N 0.494 120.934 120.500 -0.100 0.000 2.096 424 R HA -0.196 4.134 4.340 -0.017 0.000 0.240 424 R C 2.333 178.544 176.300 -0.149 0.000 1.139 424 R CA 1.042 57.034 56.100 -0.180 0.000 0.952 424 R CB -0.252 29.864 30.300 -0.307 0.000 0.854 424 R HN 0.049 nan 8.270 nan 0.000 0.436 425 L N 1.024 122.184 121.223 -0.106 0.000 1.978 425 L HA -0.275 4.055 4.340 -0.017 0.000 0.218 425 L C 2.627 179.490 176.870 -0.013 0.000 1.075 425 L CA 2.444 57.245 54.840 -0.066 0.000 0.767 425 L CB -1.086 40.948 42.059 -0.041 0.000 0.890 425 L HN 0.325 nan 8.230 nan 0.000 0.434 426 R N -0.428 120.072 120.500 -0.000 0.000 2.091 426 R HA -0.164 4.166 4.340 -0.017 0.000 0.238 426 R C 2.299 178.638 176.300 0.065 0.000 1.136 426 R CA 1.604 57.725 56.100 0.036 0.000 0.959 426 R CB -0.656 29.661 30.300 0.029 0.000 0.856 426 R HN 0.237 nan 8.270 nan 0.000 0.437 427 R N 0.053 120.573 120.500 0.034 0.000 2.096 427 R HA 0.014 4.344 4.340 -0.017 0.000 0.235 427 R C 2.184 178.558 176.300 0.123 0.000 1.127 427 R CA 2.015 58.158 56.100 0.071 0.000 0.968 427 R CB -0.177 30.128 30.300 0.010 0.000 0.861 427 R HN 0.355 nan 8.270 nan 0.000 0.440 428 M N -0.072 119.539 119.600 0.019 0.000 2.509 428 M HA 0.045 4.515 4.480 -0.017 0.000 0.250 428 M C 0.733 177.218 176.300 0.310 0.000 1.132 428 M CA -0.053 55.251 55.300 0.007 0.000 1.080 428 M CB 0.585 32.994 32.600 -0.319 0.000 1.408 428 M HN -0.073 nan 8.290 nan 0.000 0.484 429 S N 0.938 116.801 115.700 0.272 0.000 2.558 429 S HA 0.039 4.499 4.470 -0.017 0.000 0.287 429 S C 1.154 176.000 174.600 0.409 0.000 1.321 429 S CA -0.153 58.232 58.200 0.307 0.000 1.048 429 S CB 0.546 63.867 63.200 0.202 0.000 0.844 429 S HN 0.355 nan 8.310 nan 0.000 0.512 430 L N 3.930 125.347 121.223 0.324 0.000 2.313 430 L HA 0.111 4.441 4.340 -0.017 0.000 0.214 430 L C 0.213 177.179 176.870 0.160 0.000 1.119 430 L CA 0.417 55.401 54.840 0.240 0.000 0.809 430 L CB -0.242 41.900 42.059 0.139 0.000 0.933 430 L HN 0.408 nan 8.230 nan 0.000 0.449 431 V N 0.703 120.729 119.914 0.186 0.000 2.333 431 V HA 0.146 4.256 4.120 -0.017 0.000 0.274 431 V C 0.053 176.229 176.094 0.138 0.000 1.028 431 V CA -0.518 61.881 62.300 0.164 0.000 0.851 431 V CB 1.260 33.214 31.823 0.218 0.000 1.000 431 V HN 0.158 nan 8.190 nan 0.000 0.456 432 E N 4.107 124.369 120.200 0.102 0.000 1.941 432 E HA 0.193 4.533 4.350 -0.017 0.000 0.275 432 E C -0.161 176.487 176.600 0.079 0.000 1.113 432 E CA -0.354 56.096 56.400 0.084 0.000 0.878 432 E CB 0.448 30.178 29.700 0.051 0.000 1.070 432 E HN 0.580 nan 8.360 nan 0.000 0.399 433 E N 1.400 121.646 120.200 0.077 0.000 2.373 433 E HA 0.325 4.665 4.350 -0.017 0.000 0.267 433 E C 0.520 177.153 176.600 0.055 0.000 1.032 433 E CA -0.196 56.243 56.400 0.066 0.000 0.889 433 E CB 1.451 31.181 29.700 0.051 0.000 0.984 433 E HN 0.700 nan 8.360 nan 0.000 0.425 434 G N 0.607 109.439 108.800 0.052 0.000 4.047 434 G HA2 0.308 4.258 3.960 -0.017 0.000 0.230 434 G HA3 0.308 4.258 3.960 -0.017 0.000 0.230 434 G C 0.366 175.293 174.900 0.046 0.000 3.044 434 G CA 0.267 45.394 45.100 0.045 0.000 0.881 434 G HN 0.789 nan 8.290 nan 0.000 0.377 435 A N -1.551 121.299 122.820 0.049 0.000 2.826 435 A HA 0.145 4.455 4.320 -0.017 0.000 0.274 435 A C 0.666 178.288 177.584 0.064 0.000 1.443 435 A CA 1.491 53.558 52.037 0.050 0.000 0.833 435 A CB -1.675 17.349 19.000 0.039 0.000 1.023 435 A HN 1.958 nan 8.150 nan 0.000 0.600 436 V N -1.367 118.594 119.914 0.077 0.000 5.567 436 V HA 0.042 4.152 4.120 -0.017 0.000 0.262 436 V C -0.092 176.055 176.094 0.088 0.000 1.013 436 V CA 0.010 62.369 62.300 0.099 0.000 1.578 436 V CB 0.013 31.899 31.823 0.105 0.000 0.178 436 V HN 0.687 nan 8.190 nan 0.000 0.438 437 K N 2.922 123.382 120.400 0.100 0.000 2.447 437 K HA 0.445 4.755 4.320 -0.017 0.000 0.281 437 K C 0.192 176.850 176.600 0.096 0.000 1.031 437 K CA 0.295 56.642 56.287 0.101 0.000 1.019 437 K CB 0.514 33.086 32.500 0.120 0.000 0.918 437 K HN 0.565 nan 8.250 nan 0.000 0.476 438 R N 3.181 123.729 120.500 0.079 0.000 2.867 438 R HA 0.493 4.823 4.340 -0.017 0.000 0.268 438 R C -0.902 175.431 176.300 0.056 0.000 1.014 438 R CA -0.780 55.357 56.100 0.063 0.000 0.946 438 R CB 1.335 31.651 30.300 0.027 0.000 1.208 438 R HN 0.440 nan 8.270 nan 0.000 0.477 439 I N 1.226 121.828 120.570 0.054 0.000 2.359 439 I HA 0.222 4.381 4.170 -0.017 0.000 0.294 439 I C -0.322 175.777 176.117 -0.031 0.000 0.987 439 I CA -0.531 60.787 61.300 0.030 0.000 1.225 439 I CB 1.368 39.380 38.000 0.020 0.000 1.366 439 I HN 0.402 nan 8.210 nan 0.000 0.466 440 N N 6.236 124.887 118.700 -0.081 0.000 2.437 440 N HA 0.126 4.856 4.740 -0.017 0.000 0.243 440 N C 0.598 175.987 175.510 -0.202 0.000 1.041 440 N CA -0.261 52.652 53.050 -0.229 0.000 0.940 440 N CB 1.084 39.330 38.487 -0.403 0.000 1.133 440 N HN 0.516 nan 8.380 nan 0.000 0.506 441 M N 3.221 122.716 119.600 -0.174 0.000 2.202 441 M HA -0.056 4.414 4.480 -0.017 0.000 0.262 441 M C 1.911 178.067 176.300 -0.240 0.000 1.063 441 M CA 1.220 56.445 55.300 -0.125 0.000 1.097 441 M CB -0.702 31.873 32.600 -0.041 0.000 1.382 441 M HN 0.713 nan 8.290 nan 0.000 0.413 442 A N -1.254 121.405 122.820 -0.269 0.000 1.898 442 A HA -0.183 4.127 4.320 -0.017 0.000 0.216 442 A C 1.987 179.301 177.584 -0.449 0.000 1.181 442 A CA 1.706 53.534 52.037 -0.349 0.000 0.620 442 A CB -1.134 17.855 19.000 -0.018 0.000 0.819 442 A HN 0.658 nan 8.150 nan 0.000 0.442 443 H N -1.046 117.788 119.070 -0.394 0.000 2.389 443 H HA 0.008 4.554 4.556 -0.017 0.000 0.299 443 H C 2.100 177.177 175.328 -0.418 0.000 1.081 443 H CA 0.834 56.592 56.048 -0.484 0.000 1.345 443 H CB -0.045 29.643 29.762 -0.124 0.000 1.393 443 H HN 0.353 nan 8.280 nan 0.000 0.520 444 L N 0.467 121.588 121.223 -0.171 0.000 2.046 444 L HA -0.223 4.107 4.340 -0.017 0.000 0.208 444 L C 2.110 178.843 176.870 -0.229 0.000 1.077 444 L CA 1.294 56.044 54.840 -0.151 0.000 0.747 444 L CB -0.415 41.585 42.059 -0.098 0.000 0.896 444 L HN 0.460 nan 8.230 nan 0.000 0.432 445 C N 0.024 119.086 119.300 -0.397 0.000 2.429 445 C HA -0.163 4.287 4.460 -0.017 0.000 0.277 445 C C 2.673 177.357 174.990 -0.511 0.000 1.262 445 C CA 0.613 59.303 59.018 -0.547 0.000 1.733 445 C CB -0.713 26.343 27.740 -1.140 0.000 2.010 445 C HN 0.513 nan 8.230 nan 0.000 0.483 446 I N 1.279 121.491 120.570 -0.597 0.000 2.252 446 I HA -0.151 4.009 4.170 -0.017 0.000 0.245 446 I C 2.764 178.727 176.117 -0.258 0.000 1.102 446 I CA 1.448 62.466 61.300 -0.470 0.000 1.385 446 I CB -0.605 36.977 38.000 -0.697 0.000 1.064 446 I HN 0.245 nan 8.210 nan 0.000 0.414 447 A N 0.873 123.522 122.820 -0.285 0.000 1.892 447 A HA -0.179 4.131 4.320 -0.017 0.000 0.218 447 A C 2.302 179.933 177.584 0.078 0.000 1.188 447 A CA 2.119 54.052 52.037 -0.173 0.000 0.631 447 A CB -1.424 17.291 19.000 -0.474 0.000 0.822 447 A HN 0.480 nan 8.150 nan 0.000 0.447 448 G N -1.377 107.430 108.800 0.011 0.000 2.985 448 G HA2 0.360 4.310 3.960 -0.017 0.000 0.209 448 G HA3 0.360 4.310 3.960 -0.017 0.000 0.209 448 G C 0.337 175.090 174.900 -0.245 0.000 1.165 448 G CA 0.678 45.687 45.100 -0.153 0.000 0.776 448 G HN 0.412 nan 8.290 nan 0.000 0.541 449 S N -0.403 115.213 115.700 -0.140 0.000 2.568 449 S HA 0.355 4.815 4.470 -0.017 0.000 0.302 449 S C 0.798 175.388 174.600 -0.015 0.000 1.082 449 S CA -0.684 57.476 58.200 -0.067 0.000 1.009 449 S CB 1.339 64.499 63.200 -0.066 0.000 1.069 449 S HN 0.492 nan 8.310 nan 0.000 0.500 450 H N -0.099 118.942 119.070 -0.049 0.000 2.535 450 H HA 0.479 5.025 4.556 -0.017 0.000 0.273 450 H C 0.221 175.558 175.328 0.014 0.000 0.983 450 H CA 0.411 56.459 56.048 0.001 0.000 1.238 450 H CB 0.004 29.773 29.762 0.012 0.000 1.412 450 H HN 0.523 nan 8.280 nan 0.000 0.562 451 A N 0.842 123.359 122.820 -0.504 0.000 2.515 451 A HA 0.594 4.904 4.320 -0.017 0.000 0.298 451 A C -1.405 176.012 177.584 -0.279 0.000 1.059 451 A CA -0.553 51.243 52.037 -0.400 0.000 0.698 451 A CB 2.255 20.953 19.000 -0.504 0.000 1.289 451 A HN 0.083 nan 8.150 nan 0.000 0.404 452 V N 3.525 123.264 119.914 -0.291 0.000 2.623 452 V HA 0.545 4.655 4.120 -0.017 0.000 0.304 452 V C -0.738 175.224 176.094 -0.219 0.000 1.054 452 V CA -0.782 61.359 62.300 -0.265 0.000 0.882 452 V CB 1.843 33.386 31.823 -0.467 0.000 1.002 452 V HN 1.033 nan 8.190 nan 0.000 0.424 453 N N 2.756 121.334 118.700 -0.203 0.000 2.229 453 N HA 0.620 5.350 4.740 -0.017 0.000 0.298 453 N C -0.298 175.132 175.510 -0.134 0.000 1.114 453 N CA -0.368 52.592 53.050 -0.151 0.000 0.776 453 N CB 2.995 41.358 38.487 -0.206 0.000 1.501 453 N HN 0.682 nan 8.380 nan 0.000 0.474 454 G N -0.648 108.099 108.800 -0.089 0.000 2.522 454 G HA2 0.408 4.358 3.960 -0.017 0.000 0.304 454 G HA3 0.408 4.358 3.960 -0.017 0.000 0.304 454 G C 0.856 175.837 174.900 0.135 0.000 1.210 454 G CA -0.508 44.568 45.100 -0.040 0.000 0.960 454 G HN 0.635 nan 8.290 nan 0.000 0.497 455 V N -3.546 116.583 119.914 0.358 0.000 3.578 455 V HA 0.685 4.795 4.120 -0.017 0.000 0.290 455 V C 0.650 176.841 176.094 0.162 0.000 1.376 455 V CA 0.462 62.863 62.300 0.169 0.000 1.083 455 V CB -0.559 31.301 31.823 0.063 0.000 0.911 455 V HN 1.183 nan 8.190 nan 0.000 0.433 456 A N 1.056 123.995 122.820 0.199 0.000 2.520 456 A HA 0.700 5.009 4.320 -0.017 0.000 0.298 456 A C 0.776 178.420 177.584 0.101 0.000 1.051 456 A CA -0.331 51.788 52.037 0.136 0.000 0.690 456 A CB 1.474 20.540 19.000 0.110 0.000 1.281 456 A HN 0.372 nan 8.150 nan 0.000 0.402 457 R N 1.833 122.366 120.500 0.054 0.000 2.105 457 R HA -0.100 4.230 4.340 -0.017 0.000 0.239 457 R C 1.431 177.730 176.300 -0.002 0.000 1.135 457 R CA 1.992 58.099 56.100 0.010 0.000 0.967 457 R CB -0.502 29.796 30.300 -0.003 0.000 0.861 457 R HN 0.629 nan 8.270 nan 0.000 0.442 458 I N 0.850 121.431 120.570 0.019 0.000 2.179 458 I HA -0.300 3.860 4.170 -0.017 0.000 0.242 458 I C 2.634 178.763 176.117 0.020 0.000 1.088 458 I CA 1.939 63.242 61.300 0.006 0.000 1.357 458 I CB -0.237 37.768 38.000 0.008 0.000 1.051 458 I HN 0.379 nan 8.210 nan 0.000 0.409 459 H N 0.437 119.488 119.070 -0.032 0.000 2.289 459 H HA -0.184 4.362 4.556 -0.017 0.000 0.296 459 H C 2.267 177.578 175.328 -0.029 0.000 1.091 459 H CA 2.370 58.398 56.048 -0.033 0.000 1.274 459 H CB -0.490 29.258 29.762 -0.024 0.000 1.364 459 H HN 0.274 nan 8.280 nan 0.000 0.490 460 S N 0.369 115.920 115.700 -0.249 0.000 2.387 460 S HA -0.162 4.298 4.470 -0.017 0.000 0.230 460 S C 1.951 176.439 174.600 -0.185 0.000 1.035 460 S CA 1.426 59.484 58.200 -0.236 0.000 1.014 460 S CB -0.132 63.005 63.200 -0.104 0.000 0.836 460 S HN 0.517 nan 8.310 nan 0.000 0.466 461 E N 0.776 120.890 120.200 -0.143 0.000 2.072 461 E HA 0.038 4.378 4.350 -0.017 0.000 0.190 461 E C 2.039 178.536 176.600 -0.171 0.000 0.982 461 E CA 0.594 56.901 56.400 -0.156 0.000 0.803 461 E CB -0.269 29.366 29.700 -0.110 0.000 0.755 461 E HN 0.499 nan 8.360 nan 0.000 0.453 462 I N 1.009 121.496 120.570 -0.139 0.000 2.493 462 I HA -0.224 3.936 4.170 -0.017 0.000 0.254 462 I C 2.382 178.403 176.117 -0.159 0.000 1.160 462 I CA 0.462 61.687 61.300 -0.125 0.000 1.445 462 I CB -0.047 37.910 38.000 -0.072 0.000 1.086 462 I HN 0.073 nan 8.210 nan 0.000 0.433 463 L N 0.634 121.742 121.223 -0.191 0.000 2.017 463 L HA -0.231 4.099 4.340 -0.017 0.000 0.208 463 L C 2.270 179.084 176.870 -0.094 0.000 1.073 463 L CA 1.773 56.530 54.840 -0.138 0.000 0.745 463 L CB -0.477 41.549 42.059 -0.055 0.000 0.894 463 L HN 0.278 nan 8.230 nan 0.000 0.432 464 K N -1.023 119.244 120.400 -0.222 0.000 2.432 464 K HA -0.074 4.236 4.320 -0.017 0.000 0.196 464 K C 1.673 178.056 176.600 -0.361 0.000 1.038 464 K CA 0.456 56.461 56.287 -0.471 0.000 0.986 464 K CB 0.097 32.043 32.500 -0.923 0.000 0.782 464 K HN -0.019 nan 8.250 nan 0.000 0.485 465 K N 0.003 120.264 120.400 -0.233 0.000 2.334 465 K HA 0.179 4.489 4.320 -0.017 0.000 0.195 465 K C 0.975 177.515 176.600 -0.101 0.000 1.045 465 K CA 0.728 56.922 56.287 -0.156 0.000 1.004 465 K CB 0.634 33.056 32.500 -0.131 0.000 0.837 465 K HN 0.079 nan 8.250 nan 0.000 0.510 466 T N -0.119 114.370 114.554 -0.109 0.000 3.212 466 T HA 0.143 4.483 4.350 -0.017 0.000 0.157 466 T C 1.707 176.352 174.700 -0.091 0.000 0.908 466 T CA 0.283 62.329 62.100 -0.090 0.000 0.954 466 T CB -0.461 68.346 68.868 -0.102 0.000 1.709 466 T HN 0.028 nan 8.240 nan 0.000 0.335 467 I N 0.203 120.645 120.570 -0.213 0.000 2.248 467 I HA -0.085 4.075 4.170 -0.017 0.000 0.248 467 I C 1.271 177.263 176.117 -0.207 0.000 1.107 467 I CA 1.938 63.035 61.300 -0.339 0.000 1.373 467 I CB -0.582 37.002 38.000 -0.694 0.000 1.055 467 I HN 0.127 nan 8.210 nan 0.000 0.418 468 F N 1.946 121.990 119.950 0.157 0.000 2.668 468 F HA 0.279 4.796 4.527 -0.017 0.000 0.301 468 F C 1.948 177.892 175.800 0.241 0.000 1.106 468 F CA -1.202 56.983 58.000 0.308 0.000 1.289 468 F CB -0.574 38.645 39.000 0.364 0.000 1.006 468 F HN 0.066 nan 8.300 nan 0.000 0.535 469 K N 0.083 120.613 120.400 0.216 0.000 2.032 469 K HA -0.273 4.037 4.320 -0.017 0.000 0.218 469 K C 0.955 177.627 176.600 0.120 0.000 1.054 469 K CA 2.320 58.666 56.287 0.098 0.000 0.941 469 K CB -0.834 31.681 32.500 0.026 0.000 0.720 469 K HN 0.133 nan 8.250 nan 0.000 0.449 470 D N 0.787 121.230 120.400 0.072 0.000 2.133 470 D HA -0.180 4.450 4.640 -0.017 0.000 0.192 470 D C 2.042 178.251 176.300 -0.152 0.000 1.001 470 D CA 1.530 55.429 54.000 -0.168 0.000 0.844 470 D CB -0.551 40.031 40.800 -0.363 0.000 0.944 470 D HN 0.273 nan 8.370 nan 0.000 0.447 471 F N 0.039 120.085 119.950 0.160 0.000 2.095 471 F HA -0.202 4.315 4.527 -0.017 0.000 0.298 471 F C 2.460 178.444 175.800 0.307 0.000 1.104 471 F CA 0.833 59.017 58.000 0.308 0.000 1.232 471 F CB -0.870 38.395 39.000 0.441 0.000 0.987 471 F HN -0.029 nan 8.300 nan 0.000 0.475 472 Y N 1.267 121.574 120.300 0.012 0.000 2.097 472 Y HA -0.249 4.291 4.550 -0.017 0.000 0.282 472 Y C 2.281 178.142 175.900 -0.065 0.000 1.152 472 Y CA 1.882 59.728 58.100 -0.423 0.000 1.136 472 Y CB -0.744 37.326 38.460 -0.650 0.000 0.975 472 Y HN 0.139 nan 8.280 nan 0.000 0.498 473 E N -0.581 119.588 120.200 -0.053 0.000 2.085 473 E HA -0.227 4.113 4.350 -0.017 0.000 0.194 473 E C 2.073 178.736 176.600 0.105 0.000 0.994 473 E CA 1.257 57.659 56.400 0.004 0.000 0.801 473 E CB -0.377 29.385 29.700 0.103 0.000 0.743 473 E HN 0.335 nan 8.360 nan 0.000 0.453 474 L N 1.036 122.350 121.223 0.151 0.000 2.072 474 L HA -0.036 4.294 4.340 -0.017 0.000 0.205 474 L C -0.050 176.889 176.870 0.116 0.000 1.079 474 L CA 1.891 56.864 54.840 0.221 0.000 0.752 474 L CB -0.206 41.971 42.059 0.196 0.000 0.906 474 L HN 0.000 nan 8.230 nan 0.000 0.436 475 E N -1.047 119.178 120.200 0.043 0.000 2.908 475 E HA 0.190 4.530 4.350 -0.017 0.000 0.291 475 E C -2.140 174.254 176.600 -0.343 0.000 1.154 475 E CA -1.180 55.097 56.400 -0.206 0.000 0.784 475 E CB 1.329 30.897 29.700 -0.219 0.000 1.500 475 E HN 0.042 nan 8.360 nan 0.000 0.382 476 P HA -0.245 nan 4.420 nan 0.000 0.216 476 P C 1.170 178.443 177.300 -0.046 0.000 1.150 476 P CA 1.171 63.939 63.100 -0.554 0.000 0.837 476 P CB -0.017 31.378 31.700 -0.508 0.000 0.786 477 H N -0.258 118.875 119.070 0.105 0.000 2.518 477 H HA -0.085 4.461 4.556 -0.017 0.000 0.292 477 H C 1.742 177.161 175.328 0.152 0.000 1.068 477 H CA 1.314 57.438 56.048 0.126 0.000 1.275 477 H CB -0.329 29.482 29.762 0.081 0.000 1.375 477 H HN 0.163 nan 8.280 nan 0.000 0.563 478 K N 0.599 120.983 120.400 -0.027 0.000 2.243 478 K HA 0.039 4.349 4.320 -0.017 0.000 0.201 478 K C -0.229 176.313 176.600 -0.096 0.000 1.051 478 K CA -0.035 56.234 56.287 -0.031 0.000 0.970 478 K CB 0.143 32.534 32.500 -0.181 0.000 0.755 478 K HN 0.016 nan 8.250 nan 0.000 0.465 479 F N 2.220 122.209 119.950 0.064 0.000 2.420 479 F HA 0.322 4.838 4.527 -0.017 0.000 0.352 479 F C 0.280 176.104 175.800 0.039 0.000 1.108 479 F CA -0.327 57.722 58.000 0.082 0.000 1.162 479 F CB 1.087 40.201 39.000 0.189 0.000 1.118 479 F HN 0.013 nan 8.300 nan 0.000 0.510 480 Q N 1.575 121.443 119.800 0.113 0.000 2.668 480 Q HA 0.423 4.753 4.340 -0.017 0.000 0.298 480 Q C -1.136 174.842 176.000 -0.036 0.000 1.071 480 Q CA -1.309 54.499 55.803 0.009 0.000 0.789 480 Q CB 3.041 31.726 28.738 -0.087 0.000 1.497 480 Q HN 0.646 nan 8.270 nan 0.000 0.460 481 N N 0.353 119.005 118.700 -0.081 0.000 2.238 481 N HA 0.281 5.011 4.740 -0.017 0.000 0.302 481 N C -1.557 173.863 175.510 -0.149 0.000 1.072 481 N CA -0.385 52.614 53.050 -0.085 0.000 0.792 481 N CB 1.275 39.731 38.487 -0.052 0.000 1.425 481 N HN 0.321 nan 8.380 nan 0.000 0.478 482 K N 2.717 123.040 120.400 -0.129 0.000 2.803 482 K HA 0.160 4.470 4.320 -0.017 0.000 0.229 482 K C -0.999 175.605 176.600 0.007 0.000 1.084 482 K CA -0.463 55.716 56.287 -0.181 0.000 1.063 482 K CB 1.160 33.349 32.500 -0.518 0.000 1.254 482 K HN 0.572 nan 8.250 nan 0.000 0.551 483 T N 1.889 116.466 114.554 0.038 0.000 2.933 483 T HA 0.007 4.347 4.350 -0.017 0.000 0.306 483 T C 0.807 175.623 174.700 0.195 0.000 1.045 483 T CA 0.553 62.726 62.100 0.122 0.000 1.143 483 T CB 0.329 69.275 68.868 0.130 0.000 1.003 483 T HN 0.339 nan 8.240 nan 0.000 0.540 484 N N 0.442 119.286 118.700 0.241 0.000 2.326 484 N HA 0.447 5.177 4.740 -0.017 0.000 0.239 484 N C 0.480 176.173 175.510 0.306 0.000 1.301 484 N CA -0.300 52.937 53.050 0.312 0.000 0.909 484 N CB 0.456 39.082 38.487 0.232 0.000 1.156 484 N HN 0.754 nan 8.380 nan 0.000 0.462 485 G N -0.311 108.686 108.800 0.328 0.000 2.727 485 G HA2 0.682 4.632 3.960 -0.017 0.000 0.289 485 G HA3 0.682 4.632 3.960 -0.017 0.000 0.289 485 G C -1.667 173.379 174.900 0.243 0.000 1.418 485 G CA -0.369 44.900 45.100 0.283 0.000 0.818 485 G HN 0.421 nan 8.290 nan 0.000 0.486 486 I N -0.803 119.893 120.570 0.210 0.000 2.865 486 I HA 0.527 4.687 4.170 -0.017 0.000 0.302 486 I C -0.063 176.207 176.117 0.255 0.000 1.140 486 I CA -0.554 60.867 61.300 0.201 0.000 1.021 486 I CB 2.757 40.765 38.000 0.014 0.000 1.233 486 I HN 0.470 nan 8.210 nan 0.000 0.427 487 T N 6.625 121.389 114.554 0.349 0.000 2.729 487 T HA 0.324 4.664 4.350 -0.017 0.000 0.296 487 T C -1.774 173.052 174.700 0.209 0.000 0.928 487 T CA -1.632 60.603 62.100 0.224 0.000 1.045 487 T CB 0.875 69.818 68.868 0.125 0.000 0.902 487 T HN 0.355 nan 8.240 nan 0.000 0.500 488 P HA 0.011 nan 4.420 nan 0.000 0.230 488 P C 1.090 178.360 177.300 -0.050 0.000 1.158 488 P CA 0.446 63.581 63.100 0.058 0.000 0.769 488 P CB 0.407 32.127 31.700 0.034 0.000 0.807 489 R N 0.348 120.777 120.500 -0.119 0.000 2.072 489 R HA 0.016 4.346 4.340 -0.017 0.000 0.221 489 R C 2.689 178.873 176.300 -0.192 0.000 1.166 489 R CA 1.529 57.516 56.100 -0.187 0.000 0.917 489 R CB -1.308 28.887 30.300 -0.176 0.000 0.815 489 R HN -0.002 nan 8.270 nan 0.000 0.444 490 R N -0.368 119.954 120.500 -0.297 0.000 2.094 490 R HA -0.161 4.169 4.340 -0.017 0.000 0.239 490 R C 1.368 177.332 176.300 -0.561 0.000 1.137 490 R CA 2.061 57.822 56.100 -0.564 0.000 0.943 490 R CB -0.395 29.334 30.300 -0.951 0.000 0.850 490 R HN 0.338 nan 8.270 nan 0.000 0.433 491 W N 0.093 121.350 121.300 -0.072 0.000 3.391 491 W HA 0.114 4.763 4.660 -0.018 0.000 0.275 491 W C 0.952 177.442 176.519 -0.048 0.000 1.318 491 W CA -0.647 56.657 57.345 -0.069 0.000 1.665 491 W CB 0.162 29.585 29.460 -0.062 0.000 1.078 491 W HN 0.310 nan 8.180 nan 0.000 0.732 492 L N -2.749 118.528 121.223 0.091 0.000 2.455 492 L HA 0.124 4.454 4.340 -0.017 0.000 0.138 492 L C 1.804 178.691 176.870 0.028 0.000 1.398 492 L CA 0.530 55.420 54.840 0.083 0.000 0.998 492 L CB -0.903 41.228 42.059 0.120 0.000 1.985 492 L HN -0.277 nan 8.230 nan 0.000 0.493 493 V N 1.465 121.375 119.914 -0.008 0.000 2.220 493 V HA -0.347 3.763 4.120 -0.017 0.000 0.250 493 V C 2.414 178.483 176.094 -0.042 0.000 1.056 493 V CA 2.806 65.087 62.300 -0.031 0.000 1.016 493 V CB -0.921 30.848 31.823 -0.091 0.000 0.639 493 V HN 0.562 nan 8.190 nan 0.000 0.446 494 L N 0.365 121.534 121.223 -0.090 0.000 2.005 494 L HA -0.205 4.125 4.340 -0.017 0.000 0.207 494 L C 2.545 179.358 176.870 -0.096 0.000 1.072 494 L CA 2.505 57.278 54.840 -0.112 0.000 0.744 494 L CB -0.325 41.613 42.059 -0.201 0.000 0.895 494 L HN 0.715 nan 8.230 nan 0.000 0.433 495 C N -1.703 117.536 119.300 -0.102 0.000 2.495 495 C HA 0.151 4.601 4.460 -0.017 0.000 0.275 495 C C 1.206 176.190 174.990 -0.011 0.000 1.392 495 C CA -0.150 58.832 59.018 -0.061 0.000 1.766 495 C CB -1.096 26.614 27.740 -0.050 0.000 1.933 495 C HN 0.618 nan 8.230 nan 0.000 0.519 496 N N 1.243 119.946 118.700 0.005 0.000 2.752 496 N HA 0.306 5.036 4.740 -0.017 0.000 0.260 496 N C -1.807 173.723 175.510 0.033 0.000 1.562 496 N CA -1.785 51.280 53.050 0.025 0.000 0.788 496 N CB 0.896 39.405 38.487 0.037 0.000 1.192 496 N HN 0.209 nan 8.380 nan 0.000 0.503 497 P HA 0.002 nan 4.420 nan 0.000 0.219 497 P C 1.395 178.720 177.300 0.042 0.000 1.150 497 P CA 0.795 63.914 63.100 0.032 0.000 0.814 497 P CB 0.261 31.971 31.700 0.017 0.000 0.787 498 G N 1.092 109.914 108.800 0.036 0.000 2.514 498 G HA2 -0.278 3.672 3.960 -0.017 0.000 0.217 498 G HA3 -0.278 3.672 3.960 -0.017 0.000 0.217 498 G C 1.526 176.454 174.900 0.046 0.000 1.198 498 G CA 0.991 46.113 45.100 0.037 0.000 0.780 498 G HN 0.247 nan 8.290 nan 0.000 0.565 499 L N 1.559 122.807 121.223 0.043 0.000 1.971 499 L HA -0.018 4.312 4.340 -0.017 0.000 0.215 499 L C 3.157 180.074 176.870 0.079 0.000 1.072 499 L CA 2.580 57.447 54.840 0.045 0.000 0.758 499 L CB -0.943 41.138 42.059 0.036 0.000 0.889 499 L HN 0.277 nan 8.230 nan 0.000 0.433 500 A N -1.006 121.879 122.820 0.108 0.000 1.986 500 A HA -0.324 3.986 4.320 -0.017 0.000 0.220 500 A C 2.266 179.959 177.584 0.182 0.000 1.171 500 A CA 2.044 54.199 52.037 0.196 0.000 0.640 500 A CB -0.796 18.306 19.000 0.170 0.000 0.811 500 A HN 0.702 nan 8.150 nan 0.000 0.451 501 E N 0.179 120.447 120.200 0.114 0.000 2.028 501 E HA -0.176 4.164 4.350 -0.017 0.000 0.191 501 E C 1.839 178.490 176.600 0.085 0.000 0.988 501 E CA 1.618 58.074 56.400 0.092 0.000 0.799 501 E CB -0.391 29.348 29.700 0.066 0.000 0.755 501 E HN 0.686 nan 8.360 nan 0.000 0.447 502 I N -0.072 120.554 120.570 0.094 0.000 2.208 502 I HA -0.204 3.956 4.170 -0.017 0.000 0.245 502 I C 2.204 178.403 176.117 0.136 0.000 1.097 502 I CA 1.490 62.875 61.300 0.142 0.000 1.363 502 I CB -0.643 37.463 38.000 0.177 0.000 1.051 502 I HN 0.163 nan 8.210 nan 0.000 0.413 503 I N 1.237 121.865 120.570 0.097 0.000 2.252 503 I HA -0.206 3.954 4.170 -0.017 0.000 0.245 503 I C 2.818 178.873 176.117 -0.103 0.000 1.102 503 I CA 1.321 62.591 61.300 -0.050 0.000 1.385 503 I CB -0.630 37.232 38.000 -0.230 0.000 1.064 503 I HN 0.359 nan 8.210 nan 0.000 0.414 504 A N 0.589 123.445 122.820 0.060 0.000 1.883 504 A HA -0.264 4.046 4.320 -0.017 0.000 0.217 504 A C 2.190 179.790 177.584 0.027 0.000 1.186 504 A CA 1.889 54.012 52.037 0.144 0.000 0.624 504 A CB -0.691 18.421 19.000 0.187 0.000 0.822 504 A HN 0.436 nan 8.150 nan 0.000 0.444 505 E N -0.855 119.343 120.200 -0.003 0.000 2.086 505 E HA -0.258 4.082 4.350 -0.017 0.000 0.200 505 E C 2.380 178.916 176.600 -0.106 0.000 1.012 505 E CA 1.478 57.857 56.400 -0.036 0.000 0.812 505 E CB -0.131 29.551 29.700 -0.029 0.000 0.743 505 E HN 0.339 nan 8.360 nan 0.000 0.453 506 R N 0.284 120.642 120.500 -0.236 0.000 2.056 506 R HA -0.040 4.290 4.340 -0.017 0.000 0.227 506 R C 2.467 178.638 176.300 -0.216 0.000 1.149 506 R CA 1.382 57.247 56.100 -0.391 0.000 0.937 506 R CB -0.823 28.893 30.300 -0.973 0.000 0.835 506 R HN 0.405 nan 8.270 nan 0.000 0.430 507 I N -3.178 117.286 120.570 -0.177 0.000 4.018 507 I HA 0.392 4.552 4.170 -0.017 0.000 0.337 507 I C 0.666 176.803 176.117 0.033 0.000 1.327 507 I CA 0.389 61.652 61.300 -0.062 0.000 1.100 507 I CB 0.465 38.408 38.000 -0.095 0.000 1.025 507 I HN 0.231 nan 8.210 nan 0.000 0.396 508 G N 2.304 111.135 108.800 0.053 0.000 2.584 508 G HA2 -0.268 3.682 3.960 -0.017 0.000 0.229 508 G HA3 -0.268 3.682 3.960 -0.017 0.000 0.229 508 G C 0.071 175.135 174.900 0.274 0.000 1.320 508 G CA 0.379 45.552 45.100 0.121 0.000 0.891 508 G HN 0.488 nan 8.290 nan 0.000 0.573 509 E N 0.007 120.312 120.200 0.174 0.000 2.489 509 E HA 0.142 4.482 4.350 -0.017 0.000 0.204 509 E C 1.830 178.407 176.600 -0.038 0.000 1.006 509 E CA 0.059 56.491 56.400 0.055 0.000 0.936 509 E CB 0.328 30.034 29.700 0.010 0.000 1.002 509 E HN 0.529 nan 8.360 nan 0.000 0.488 510 E N 0.394 120.636 120.200 0.071 0.000 2.401 510 E HA -0.178 4.162 4.350 -0.017 0.000 0.199 510 E C 1.326 177.945 176.600 0.032 0.000 1.023 510 E CA 0.727 57.154 56.400 0.045 0.000 0.859 510 E CB -0.021 29.715 29.700 0.059 0.000 0.780 510 E HN 0.533 nan 8.360 nan 0.000 0.523 511 Y N -1.398 118.907 120.300 0.009 0.000 2.571 511 Y HA 0.038 4.579 4.550 -0.015 0.000 0.294 511 Y C 1.736 177.610 175.900 -0.044 0.000 1.141 511 Y CA 0.250 58.344 58.100 -0.009 0.000 1.308 511 Y CB -0.604 37.853 38.460 -0.004 0.000 1.002 511 Y HN -0.088 nan 8.280 nan 0.000 0.551 512 I N 0.837 120.981 120.570 -0.710 0.000 2.614 512 I HA -0.177 3.983 4.170 -0.017 0.000 0.258 512 I C 1.246 177.125 176.117 -0.397 0.000 1.189 512 I CA 1.514 62.420 61.300 -0.657 0.000 1.462 512 I CB -0.277 37.191 38.000 -0.887 0.000 1.092 512 I HN 0.400 nan 8.210 nan 0.000 0.442 513 S N -1.539 114.037 115.700 -0.207 0.000 2.711 513 S HA 0.294 4.754 4.470 -0.017 0.000 0.247 513 S C -0.067 174.525 174.600 -0.013 0.000 1.079 513 S CA -0.533 57.623 58.200 -0.074 0.000 1.050 513 S CB 0.274 63.494 63.200 0.034 0.000 0.885 513 S HN 0.294 nan 8.310 nan 0.000 0.498 514 D N 0.648 121.049 120.400 0.001 0.000 3.198 514 D HA 0.110 4.740 4.640 -0.017 0.000 0.237 514 D C 0.511 176.863 176.300 0.086 0.000 1.468 514 D CA -0.302 53.722 54.000 0.040 0.000 0.948 514 D CB -0.392 40.433 40.800 0.041 0.000 1.479 514 D HN 0.179 nan 8.370 nan 0.000 0.611 515 L N 0.507 121.777 121.223 0.078 0.000 2.187 515 L HA -0.128 4.202 4.340 -0.017 0.000 0.213 515 L C 1.301 178.222 176.870 0.086 0.000 1.100 515 L CA 1.170 56.083 54.840 0.121 0.000 0.765 515 L CB 0.015 42.132 42.059 0.096 0.000 0.904 515 L HN 0.358 nan 8.230 nan 0.000 0.437 516 D N -0.083 120.346 120.400 0.048 0.000 2.133 516 D HA -0.250 4.380 4.640 -0.017 0.000 0.195 516 D C 2.025 178.346 176.300 0.034 0.000 0.997 516 D CA 1.170 55.183 54.000 0.022 0.000 0.840 516 D CB -0.133 40.669 40.800 0.003 0.000 0.947 516 D HN 0.459 nan 8.370 nan 0.000 0.452 517 Q N -0.248 119.587 119.800 0.057 0.000 2.522 517 Q HA -0.143 4.187 4.340 -0.017 0.000 0.216 517 Q C 1.778 177.790 176.000 0.020 0.000 0.986 517 Q CA 0.163 55.998 55.803 0.054 0.000 0.901 517 Q CB -0.006 28.792 28.738 0.099 0.000 0.954 517 Q HN 0.218 nan 8.270 nan 0.000 0.502 518 L N 0.791 122.022 121.223 0.013 0.000 2.265 518 L HA -0.190 4.140 4.340 -0.017 0.000 0.215 518 L C 2.328 179.196 176.870 -0.004 0.000 1.117 518 L CA 1.599 56.414 54.840 -0.042 0.000 0.782 518 L CB -0.555 41.495 42.059 -0.015 0.000 0.914 518 L HN 0.276 nan 8.230 nan 0.000 0.441 519 R N -0.262 120.248 120.500 0.017 0.000 2.096 519 R HA -0.164 4.166 4.340 -0.017 0.000 0.235 519 R C 1.774 178.098 176.300 0.041 0.000 1.127 519 R CA 1.076 57.194 56.100 0.030 0.000 0.968 519 R CB -0.792 29.522 30.300 0.024 0.000 0.861 519 R HN 0.262 nan 8.270 nan 0.000 0.440 520 K N 0.716 121.137 120.400 0.035 0.000 2.520 520 K HA -0.119 4.191 4.320 -0.017 0.000 0.197 520 K C 1.582 178.247 176.600 0.108 0.000 1.044 520 K CA 0.661 56.982 56.287 0.056 0.000 0.938 520 K CB -0.175 32.353 32.500 0.047 0.000 0.767 520 K HN 0.087 nan 8.250 nan 0.000 0.481 521 L N 0.560 121.834 121.223 0.086 0.000 2.376 521 L HA -0.094 4.236 4.340 -0.017 0.000 0.219 521 L C 1.694 178.696 176.870 0.220 0.000 1.133 521 L CA 0.970 55.892 54.840 0.137 0.000 0.816 521 L CB -0.307 41.800 42.059 0.080 0.000 0.933 521 L HN 0.112 nan 8.230 nan 0.000 0.449 522 L N -1.158 120.147 121.223 0.138 0.000 2.191 522 L HA -0.150 4.180 4.340 -0.017 0.000 0.212 522 L C 2.481 179.409 176.870 0.096 0.000 1.103 522 L CA 1.303 56.207 54.840 0.105 0.000 0.769 522 L CB -1.061 41.033 42.059 0.058 0.000 0.908 522 L HN 0.209 nan 8.230 nan 0.000 0.438 523 S N -1.410 114.338 115.700 0.080 0.000 2.440 523 S HA -0.159 4.301 4.470 -0.017 0.000 0.238 523 S C 1.143 175.594 174.600 -0.249 0.000 1.010 523 S CA 0.986 59.114 58.200 -0.119 0.000 0.972 523 S CB -0.295 62.738 63.200 -0.279 0.000 0.774 523 S HN 0.498 nan 8.310 nan 0.000 0.501 524 Y N 0.200 120.511 120.300 0.018 0.000 2.507 524 Y HA 0.236 4.784 4.550 -0.002 0.000 0.254 524 Y C 1.868 177.878 175.900 0.183 0.000 1.171 524 Y CA -0.760 57.385 58.100 0.075 0.000 1.238 524 Y CB -0.755 37.668 38.460 -0.062 0.000 1.148 524 Y HN 0.101 nan 8.280 nan 0.000 0.525 525 V N -0.978 119.081 119.914 0.242 0.000 2.324 525 V HA -0.250 3.860 4.120 -0.017 0.000 0.250 525 V C 0.094 176.261 176.094 0.122 0.000 1.060 525 V CA 1.727 64.125 62.300 0.163 0.000 1.042 525 V CB -0.864 31.016 31.823 0.094 0.000 0.650 525 V HN 0.397 nan 8.190 nan 0.000 0.450 526 D N 0.277 120.730 120.400 0.088 0.000 2.460 526 D HA 0.606 5.236 4.640 -0.017 0.000 0.232 526 D C -0.693 175.645 176.300 0.063 0.000 1.079 526 D CA -0.287 53.747 54.000 0.056 0.000 0.864 526 D CB 1.075 41.890 40.800 0.024 0.000 1.048 526 D HN 0.291 nan 8.370 nan 0.000 0.523 527 D N 1.963 122.432 120.400 0.114 0.000 2.198 527 D HA -0.073 4.557 4.640 -0.017 0.000 0.147 527 D C 0.144 176.562 176.300 0.196 0.000 1.149 527 D CA -0.266 53.829 54.000 0.159 0.000 1.107 527 D CB 0.980 41.912 40.800 0.219 0.000 2.198 527 D HN 0.329 nan 8.370 nan 0.000 0.584 528 E N 1.779 122.057 120.200 0.129 0.000 2.152 528 E HA -0.068 4.272 4.350 -0.017 0.000 0.192 528 E C 1.606 178.280 176.600 0.123 0.000 0.983 528 E CA 0.994 57.456 56.400 0.104 0.000 0.818 528 E CB 0.332 30.070 29.700 0.065 0.000 0.758 528 E HN 0.529 nan 8.360 nan 0.000 0.467 529 A N 0.464 123.376 122.820 0.153 0.000 1.968 529 A HA -0.121 4.189 4.320 -0.017 0.000 0.217 529 A C 1.875 179.606 177.584 0.245 0.000 1.169 529 A CA 0.510 52.639 52.037 0.152 0.000 0.638 529 A CB -0.497 18.581 19.000 0.130 0.000 0.812 529 A HN 0.231 nan 8.150 nan 0.000 0.446 530 F N 0.652 120.642 119.950 0.067 0.000 2.051 530 F HA -0.124 4.394 4.527 -0.015 0.000 0.296 530 F C 1.933 177.752 175.800 0.031 0.000 1.122 530 F CA 1.081 59.109 58.000 0.047 0.000 1.201 530 F CB -0.779 38.279 39.000 0.096 0.000 0.978 530 F HN 0.149 nan 8.300 nan 0.000 0.472 531 I N 0.793 121.428 120.570 0.108 0.000 2.236 531 I HA -0.337 3.823 4.170 -0.017 0.000 0.249 531 I C 2.476 178.556 176.117 -0.061 0.000 1.102 531 I CA 1.588 62.865 61.300 -0.038 0.000 1.365 531 I CB -0.730 37.288 38.000 0.031 0.000 1.051 531 I HN 0.130 nan 8.210 nan 0.000 0.420 532 R N -0.167 120.331 120.500 -0.003 0.000 2.115 532 R HA -0.081 4.249 4.340 -0.017 0.000 0.226 532 R C 1.774 178.054 176.300 -0.032 0.000 1.100 532 R CA 1.204 57.298 56.100 -0.010 0.000 0.980 532 R CB -0.521 29.788 30.300 0.016 0.000 0.875 532 R HN 0.383 nan 8.270 nan 0.000 0.445 533 D N 0.861 121.246 120.400 -0.025 0.000 2.077 533 D HA -0.111 4.519 4.640 -0.017 0.000 0.196 533 D C 2.154 178.375 176.300 -0.131 0.000 0.986 533 D CA 1.228 55.207 54.000 -0.034 0.000 0.829 533 D CB -0.328 40.513 40.800 0.069 0.000 0.983 533 D HN -0.046 nan 8.370 nan 0.000 0.453 534 V N 2.064 121.790 119.914 -0.314 0.000 2.231 534 V HA -0.323 3.787 4.120 -0.017 0.000 0.250 534 V C 2.625 178.631 176.094 -0.146 0.000 1.058 534 V CA 2.362 64.470 62.300 -0.320 0.000 1.022 534 V CB -1.047 30.479 31.823 -0.495 0.000 0.640 534 V HN 0.221 nan 8.190 nan 0.000 0.445 535 A N -0.892 121.863 122.820 -0.108 0.000 2.019 535 A HA -0.250 4.060 4.320 -0.017 0.000 0.219 535 A C 2.191 179.747 177.584 -0.047 0.000 1.164 535 A CA 2.212 54.215 52.037 -0.058 0.000 0.644 535 A CB -0.460 18.508 19.000 -0.054 0.000 0.805 535 A HN 0.490 nan 8.150 nan 0.000 0.449 536 K N -0.594 119.778 120.400 -0.045 0.000 2.031 536 K HA 0.040 4.350 4.320 -0.017 0.000 0.205 536 K C 1.753 178.343 176.600 -0.017 0.000 1.049 536 K CA 1.327 57.599 56.287 -0.027 0.000 0.939 536 K CB -0.580 31.910 32.500 -0.016 0.000 0.717 536 K HN 0.144 nan 8.250 nan 0.000 0.438 537 V N 1.051 120.953 119.914 -0.020 0.000 2.407 537 V HA -0.243 3.867 4.120 -0.017 0.000 0.248 537 V C 2.183 178.278 176.094 0.001 0.000 1.055 537 V CA 1.898 64.196 62.300 -0.004 0.000 1.049 537 V CB -0.366 31.454 31.823 -0.005 0.000 0.662 537 V HN 0.323 nan 8.190 nan 0.000 0.455 538 K N 0.847 121.241 120.400 -0.009 0.000 2.097 538 K HA -0.242 4.068 4.320 -0.017 0.000 0.206 538 K C 2.236 178.830 176.600 -0.010 0.000 1.049 538 K CA 2.062 58.351 56.287 0.003 0.000 0.933 538 K CB -0.323 32.186 32.500 0.015 0.000 0.717 538 K HN 0.739 nan 8.250 nan 0.000 0.442 539 Q N -0.189 119.597 119.800 -0.024 0.000 2.123 539 Q HA -0.122 4.208 4.340 -0.017 0.000 0.199 539 Q C 1.686 177.687 176.000 0.003 0.000 0.966 539 Q CA 1.353 57.135 55.803 -0.035 0.000 0.845 539 Q CB -0.225 28.489 28.738 -0.041 0.000 0.907 539 Q HN 0.355 nan 8.270 nan 0.000 0.439 540 E N 0.905 121.114 120.200 0.016 0.000 2.031 540 E HA -0.176 4.164 4.350 -0.017 0.000 0.193 540 E C 1.914 178.554 176.600 0.067 0.000 0.994 540 E CA 1.178 57.601 56.400 0.038 0.000 0.800 540 E CB -0.081 29.638 29.700 0.032 0.000 0.752 540 E HN 0.435 nan 8.360 nan 0.000 0.447 541 N N 1.088 119.827 118.700 0.065 0.000 2.060 541 N HA -0.191 4.539 4.740 -0.017 0.000 0.195 541 N C 1.603 177.212 175.510 0.165 0.000 1.028 541 N CA 1.274 54.382 53.050 0.097 0.000 0.861 541 N CB -0.211 38.318 38.487 0.070 0.000 1.029 541 N HN 0.127 nan 8.380 nan 0.000 0.428 542 K N 0.401 120.877 120.400 0.127 0.000 2.026 542 K HA -0.031 4.279 4.320 -0.017 0.000 0.208 542 K C 2.116 178.879 176.600 0.273 0.000 1.048 542 K CA 0.834 57.233 56.287 0.186 0.000 0.929 542 K CB -0.247 32.169 32.500 -0.140 0.000 0.713 542 K HN 0.143 nan 8.250 nan 0.000 0.439 543 L N 0.895 122.214 121.223 0.160 0.000 2.083 543 L HA -0.187 4.143 4.340 -0.017 0.000 0.209 543 L C 2.414 179.388 176.870 0.174 0.000 1.083 543 L CA 1.041 55.973 54.840 0.154 0.000 0.752 543 L CB -0.291 41.823 42.059 0.092 0.000 0.899 543 L HN 0.102 nan 8.230 nan 0.000 0.433 544 K N 0.057 120.565 120.400 0.179 0.000 2.288 544 K HA -0.181 4.129 4.320 -0.017 0.000 0.201 544 K C 1.826 178.567 176.600 0.235 0.000 1.048 544 K CA 1.290 57.682 56.287 0.176 0.000 0.956 544 K CB -0.250 32.338 32.500 0.147 0.000 0.746 544 K HN 0.130 nan 8.250 nan 0.000 0.461 545 F N 0.284 120.328 119.950 0.156 0.000 2.219 545 F HA 0.216 4.733 4.527 -0.017 0.000 0.294 545 F C 1.928 177.848 175.800 0.199 0.000 1.086 545 F CA 0.954 59.041 58.000 0.144 0.000 1.330 545 F CB -0.563 38.511 39.000 0.123 0.000 1.047 545 F HN 0.060 nan 8.300 nan 0.000 0.495 546 A N 0.517 123.467 122.820 0.217 0.000 1.908 546 A HA -0.136 4.174 4.320 -0.017 0.000 0.218 546 A C 2.392 180.008 177.584 0.052 0.000 1.181 546 A CA 2.075 54.191 52.037 0.132 0.000 0.627 546 A CB -1.554 17.604 19.000 0.263 0.000 0.818 546 A HN 0.471 nan 8.150 nan 0.000 0.445 547 A N -1.265 121.604 122.820 0.082 0.000 1.855 547 A HA -0.083 4.227 4.320 -0.017 0.000 0.215 547 A C 2.156 179.754 177.584 0.023 0.000 1.191 547 A CA 1.694 53.764 52.037 0.056 0.000 0.613 547 A CB -1.001 18.040 19.000 0.068 0.000 0.829 547 A HN 0.864 nan 8.150 nan 0.000 0.442 548 Y N 0.312 120.536 120.300 -0.126 0.000 2.151 548 Y HA -0.234 4.306 4.550 -0.017 0.000 0.284 548 Y C 1.842 177.618 175.900 -0.208 0.000 1.166 548 Y CA 1.623 59.622 58.100 -0.168 0.000 1.163 548 Y CB -0.539 37.805 38.460 -0.193 0.000 0.974 548 Y HN 0.181 nan 8.280 nan 0.000 0.511 549 L N 0.968 122.205 121.223 0.023 0.000 1.956 549 L HA -0.254 4.076 4.340 -0.017 0.000 0.216 549 L C 2.573 179.449 176.870 0.009 0.000 1.073 549 L CA 2.347 57.192 54.840 0.008 0.000 0.762 549 L CB -1.473 40.500 42.059 -0.144 0.000 0.889 549 L HN 0.374 nan 8.230 nan 0.000 0.433 550 E N -0.933 119.260 120.200 -0.013 0.000 2.012 550 E HA -0.260 4.080 4.350 -0.017 0.000 0.197 550 E C 2.181 178.731 176.600 -0.083 0.000 1.007 550 E CA 1.573 57.968 56.400 -0.010 0.000 0.816 550 E CB -0.106 29.605 29.700 0.019 0.000 0.762 550 E HN 0.450 nan 8.360 nan 0.000 0.451 551 R N 0.849 121.269 120.500 -0.134 0.000 2.264 551 R HA -0.241 4.089 4.340 -0.017 0.000 0.223 551 R C 1.900 178.023 176.300 -0.296 0.000 1.090 551 R CA 1.927 57.913 56.100 -0.191 0.000 0.857 551 R CB -1.109 29.062 30.300 -0.216 0.000 0.835 551 R HN 0.131 nan 8.270 nan 0.000 0.428 552 E N 0.029 119.911 120.200 -0.530 0.000 2.339 552 E HA -0.174 4.166 4.350 -0.017 0.000 0.201 552 E C 0.514 176.518 176.600 -0.993 0.000 1.015 552 E CA 1.471 57.367 56.400 -0.840 0.000 0.841 552 E CB -0.063 28.891 29.700 -1.244 0.000 0.754 552 E HN 0.476 nan 8.360 nan 0.000 0.508 553 Y N -0.822 119.388 120.300 -0.150 0.000 2.284 553 Y HA 0.378 4.918 4.550 -0.017 0.000 0.134 553 Y C -0.243 175.633 175.900 -0.040 0.000 2.010 553 Y CA -0.841 57.220 58.100 -0.065 0.000 1.502 553 Y CB 0.474 38.913 38.460 -0.036 0.000 1.305 553 Y HN -0.297 nan 8.280 nan 0.000 0.280 554 K N -0.025 120.487 120.400 0.188 0.000 2.606 554 K HA 0.630 4.940 4.320 -0.017 0.000 0.259 554 K C -1.608 175.060 176.600 0.114 0.000 1.001 554 K CA -0.041 56.312 56.287 0.111 0.000 0.881 554 K CB 1.409 33.962 32.500 0.088 0.000 1.288 554 K HN 0.283 nan 8.250 nan 0.000 0.452 555 V N 2.285 122.260 119.914 0.102 0.000 5.812 555 V HA 0.469 4.579 4.120 -0.017 0.000 0.138 555 V C 0.004 176.180 176.094 0.138 0.000 1.053 555 V CA 0.133 62.487 62.300 0.090 0.000 1.322 555 V CB 0.041 31.907 31.823 0.072 0.000 2.412 555 V HN 1.015 nan 8.190 nan 0.000 0.316 556 H N 1.170 120.260 119.070 0.033 0.000 3.286 556 H HA -0.110 4.436 4.556 -0.017 0.000 0.372 556 H C -0.933 174.418 175.328 0.039 0.000 1.304 556 H CA 0.243 56.315 56.048 0.040 0.000 1.285 556 H CB -0.663 29.125 29.762 0.043 0.000 1.529 556 H HN 0.518 nan 8.280 nan 0.000 0.449 557 I N 0.311 120.869 120.570 -0.021 0.000 2.460 557 I HA 0.393 4.553 4.170 -0.017 0.000 0.298 557 I C 0.215 176.330 176.117 -0.003 0.000 0.989 557 I CA -0.900 60.364 61.300 -0.061 0.000 1.173 557 I CB 1.618 39.604 38.000 -0.023 0.000 1.338 557 I HN 0.251 nan 8.210 nan 0.000 0.456 558 N N 6.588 125.294 118.700 0.010 0.000 2.415 558 N HA 0.282 5.012 4.740 -0.017 0.000 0.250 558 N C -1.917 173.751 175.510 0.262 0.000 1.127 558 N CA -2.253 50.849 53.050 0.086 0.000 0.945 558 N CB 0.872 39.380 38.487 0.034 0.000 1.196 558 N HN 0.468 nan 8.380 nan 0.000 0.499 559 P HA -0.038 nan 4.420 nan 0.000 0.220 559 P C -0.305 176.979 177.300 -0.026 0.000 1.148 559 P CA 1.112 64.306 63.100 0.156 0.000 0.803 559 P CB 0.247 32.033 31.700 0.143 0.000 0.782 560 N N -0.063 118.649 118.700 0.021 0.000 3.194 560 N HA 0.244 4.974 4.740 -0.017 0.000 0.271 560 N C -0.900 174.629 175.510 0.032 0.000 1.308 560 N CA -0.276 52.769 53.050 -0.007 0.000 1.042 560 N CB 0.103 38.589 38.487 -0.001 0.000 1.310 560 N HN 0.038 nan 8.380 nan 0.000 0.502 561 S N 0.207 115.908 115.700 0.002 0.000 2.579 561 S HA 0.361 4.821 4.470 -0.017 0.000 0.272 561 S C -0.847 173.683 174.600 -0.117 0.000 1.141 561 S CA -0.960 57.252 58.200 0.019 0.000 0.843 561 S CB 1.453 64.705 63.200 0.086 0.000 1.122 561 S HN 0.239 nan 8.310 nan 0.000 0.468 562 L N 2.516 123.556 121.223 -0.305 0.000 2.315 562 L HA 0.474 4.804 4.340 -0.017 0.000 0.283 562 L C -1.274 175.518 176.870 -0.130 0.000 1.089 562 L CA -0.712 53.704 54.840 -0.706 0.000 0.833 562 L CB -0.110 41.255 42.059 -1.158 0.000 1.170 562 L HN 0.662 nan 8.230 nan 0.000 0.442 563 F N 3.526 123.327 119.950 -0.249 0.000 2.404 563 F HA 0.200 4.718 4.527 -0.016 0.000 0.359 563 F C 0.426 176.144 175.800 -0.137 0.000 1.134 563 F CA -1.071 56.852 58.000 -0.128 0.000 1.160 563 F CB 0.272 39.244 39.000 -0.047 0.000 1.186 563 F HN 0.426 nan 8.300 nan 0.000 0.526 564 D N 4.116 124.531 120.400 0.026 0.000 2.412 564 D HA 0.408 5.038 4.640 -0.017 0.000 0.224 564 D C -0.994 175.257 176.300 -0.083 0.000 1.093 564 D CA -0.117 53.847 54.000 -0.059 0.000 0.850 564 D CB 1.039 41.791 40.800 -0.081 0.000 1.046 564 D HN 0.144 nan 8.370 nan 0.000 0.507 565 V N 3.969 123.814 119.914 -0.115 0.000 2.555 565 V HA 0.454 4.564 4.120 -0.017 0.000 0.302 565 V C -0.164 175.797 176.094 -0.221 0.000 1.038 565 V CA -0.873 61.344 62.300 -0.139 0.000 0.887 565 V CB 1.795 33.607 31.823 -0.017 0.000 0.991 565 V HN 0.519 nan 8.190 nan 0.000 0.434 566 Q N 3.302 122.983 119.800 -0.198 0.000 2.397 566 Q HA 0.635 4.965 4.340 -0.017 0.000 0.260 566 Q C -1.516 174.327 176.000 -0.262 0.000 1.002 566 Q CA -0.449 55.227 55.803 -0.211 0.000 0.716 566 Q CB 1.979 30.618 28.738 -0.165 0.000 1.258 566 Q HN 0.831 nan 8.270 nan 0.000 0.477 567 V N 1.604 121.353 119.914 -0.276 0.000 2.483 567 V HA 0.883 4.993 4.120 -0.017 0.000 0.297 567 V C -1.002 174.811 176.094 -0.468 0.000 1.027 567 V CA -0.427 61.499 62.300 -0.622 0.000 0.855 567 V CB 1.171 32.355 31.823 -1.065 0.000 0.995 567 V HN 0.850 nan 8.190 nan 0.000 0.424 568 K N 2.871 123.040 120.400 -0.385 0.000 3.073 568 K HA 0.490 4.800 4.320 -0.017 0.000 0.300 568 K C -1.251 175.355 176.600 0.010 0.000 1.082 568 K CA -1.240 55.014 56.287 -0.055 0.000 0.803 568 K CB 0.854 33.316 32.500 -0.063 0.000 1.488 568 K HN 0.429 nan 8.250 nan 0.000 0.372 569 R N 0.927 121.484 120.500 0.095 0.000 2.643 569 R HA 0.247 4.577 4.340 -0.017 0.000 0.270 569 R C 0.265 176.563 176.300 -0.002 0.000 1.061 569 R CA -0.429 55.719 56.100 0.080 0.000 1.107 569 R CB -0.065 30.310 30.300 0.126 0.000 0.999 569 R HN 0.492 nan 8.270 nan 0.000 0.460 570 I N 4.287 124.819 120.570 -0.063 0.000 2.471 570 I HA 0.122 4.282 4.170 -0.017 0.000 0.286 570 I C 0.742 176.703 176.117 -0.260 0.000 1.079 570 I CA 0.702 61.922 61.300 -0.134 0.000 1.398 570 I CB -0.082 37.845 38.000 -0.121 0.000 1.403 570 I HN 0.329 nan 8.210 nan 0.000 0.530 571 H N 3.783 122.731 119.070 -0.203 0.000 3.042 571 H HA 0.192 4.738 4.556 -0.017 0.000 0.346 571 H C 0.332 175.536 175.328 -0.206 0.000 1.294 571 H CA -0.490 55.471 56.048 -0.145 0.000 1.141 571 H CB 1.821 31.480 29.762 -0.172 0.000 1.872 571 H HN 0.505 nan 8.280 nan 0.000 0.541 572 E N 0.658 120.921 120.200 0.105 0.000 2.047 572 E HA -0.193 4.147 4.350 -0.017 0.000 0.191 572 E C 1.562 177.926 176.600 -0.393 0.000 0.987 572 E CA 1.561 57.939 56.400 -0.036 0.000 0.799 572 E CB -0.053 29.778 29.700 0.218 0.000 0.752 572 E HN 0.523 nan 8.360 nan 0.000 0.449 573 Y N 1.252 121.032 120.300 -0.866 0.000 2.384 573 Y HA -0.120 4.420 4.550 -0.017 0.000 0.289 573 Y C 1.490 177.137 175.900 -0.422 0.000 1.152 573 Y CA 1.048 58.506 58.100 -1.070 0.000 1.258 573 Y CB -0.142 37.729 38.460 -0.981 0.000 0.979 573 Y HN -0.181 nan 8.280 nan 0.000 0.549 574 K N 0.526 120.508 120.400 -0.696 0.000 2.296 574 K HA 0.081 4.391 4.320 -0.017 0.000 0.200 574 K C 0.351 176.795 176.600 -0.261 0.000 1.048 574 K CA 0.711 56.680 56.287 -0.529 0.000 0.966 574 K CB 0.013 32.210 32.500 -0.504 0.000 0.754 574 K HN 0.189 nan 8.250 nan 0.000 0.466 575 R N 0.045 120.422 120.500 -0.205 0.000 3.423 575 R HA -0.235 4.095 4.340 -0.017 0.000 0.271 575 R C 0.350 176.579 176.300 -0.119 0.000 1.093 575 R CA 0.281 56.306 56.100 -0.124 0.000 0.730 575 R CB -2.064 28.179 30.300 -0.095 0.000 1.190 575 R HN 0.280 nan 8.270 nan 0.000 0.437 576 Q N 0.380 120.109 119.800 -0.117 0.000 2.234 576 Q HA -0.047 4.283 4.340 -0.017 0.000 0.206 576 Q C 2.041 177.998 176.000 -0.072 0.000 0.980 576 Q CA 1.555 57.301 55.803 -0.094 0.000 0.869 576 Q CB 0.009 28.694 28.738 -0.088 0.000 0.912 576 Q HN 0.561 nan 8.270 nan 0.000 0.436 577 L N -0.669 120.518 121.223 -0.061 0.000 2.046 577 L HA -0.208 4.122 4.340 -0.017 0.000 0.208 577 L C 2.077 178.941 176.870 -0.009 0.000 1.077 577 L CA 0.756 55.576 54.840 -0.033 0.000 0.747 577 L CB -0.480 41.575 42.059 -0.005 0.000 0.896 577 L HN 0.309 nan 8.230 nan 0.000 0.432 578 L N 0.128 121.330 121.223 -0.034 0.000 2.013 578 L HA -0.299 4.031 4.340 -0.017 0.000 0.212 578 L C 2.123 178.974 176.870 -0.030 0.000 1.073 578 L CA 2.142 56.947 54.840 -0.059 0.000 0.753 578 L CB -0.897 41.025 42.059 -0.229 0.000 0.890 578 L HN 0.344 nan 8.230 nan 0.000 0.432 579 N N -1.623 117.042 118.700 -0.059 0.000 2.149 579 N HA -0.243 4.487 4.740 -0.017 0.000 0.188 579 N C 1.892 177.471 175.510 0.115 0.000 1.019 579 N CA 1.492 54.608 53.050 0.110 0.000 0.857 579 N CB -0.147 38.366 38.487 0.044 0.000 0.997 579 N HN 0.530 nan 8.380 nan 0.000 0.426 580 C N 0.544 119.855 119.300 0.020 0.000 2.425 580 C HA -0.028 4.422 4.460 -0.017 0.000 0.277 580 C C 2.610 177.591 174.990 -0.015 0.000 1.280 580 C CA 0.112 59.102 59.018 -0.047 0.000 1.744 580 C CB -1.167 26.509 27.740 -0.107 0.000 1.989 580 C HN 0.534 nan 8.230 nan 0.000 0.491 581 L N 0.033 121.302 121.223 0.078 0.000 2.017 581 L HA -0.173 4.157 4.340 -0.017 0.000 0.208 581 L C 2.584 179.608 176.870 0.257 0.000 1.073 581 L CA 1.990 56.929 54.840 0.166 0.000 0.745 581 L CB -1.536 40.690 42.059 0.278 0.000 0.894 581 L HN 0.600 nan 8.230 nan 0.000 0.432 582 H N -0.114 119.085 119.070 0.214 0.000 2.265 582 H HA -0.164 4.382 4.556 -0.017 0.000 0.295 582 H C 2.141 177.494 175.328 0.041 0.000 1.084 582 H CA 2.448 58.578 56.048 0.136 0.000 1.261 582 H CB 0.298 30.154 29.762 0.158 0.000 1.360 582 H HN 0.112 nan 8.280 nan 0.000 0.487 583 V N 2.686 122.490 119.914 -0.184 0.000 2.392 583 V HA -0.263 3.847 4.120 -0.017 0.000 0.249 583 V C 2.885 178.901 176.094 -0.131 0.000 1.059 583 V CA 1.675 63.837 62.300 -0.231 0.000 1.051 583 V CB -0.793 30.951 31.823 -0.132 0.000 0.658 583 V HN 0.613 nan 8.190 nan 0.000 0.455 584 I N -0.233 120.300 120.570 -0.063 0.000 2.500 584 I HA -0.100 4.060 4.170 -0.017 0.000 0.252 584 I C 2.096 178.266 176.117 0.088 0.000 1.142 584 I CA 1.732 63.059 61.300 0.046 0.000 1.451 584 I CB -1.941 36.077 38.000 0.030 0.000 1.093 584 I HN 0.241 nan 8.210 nan 0.000 0.430 585 T N 2.605 117.174 114.554 0.025 0.000 2.652 585 T HA -0.170 4.170 4.350 -0.017 0.000 0.267 585 T C 2.009 176.677 174.700 -0.054 0.000 1.039 585 T CA 2.256 64.369 62.100 0.021 0.000 1.153 585 T CB -0.542 68.376 68.868 0.084 0.000 0.863 585 T HN 0.391 nan 8.240 nan 0.000 0.428 586 L N 0.306 121.438 121.223 -0.152 0.000 1.989 586 L HA -0.126 4.204 4.340 -0.017 0.000 0.211 586 L C 2.233 179.054 176.870 -0.081 0.000 1.071 586 L CA 1.820 56.554 54.840 -0.177 0.000 0.749 586 L CB -0.852 40.994 42.059 -0.355 0.000 0.890 586 L HN 0.348 nan 8.230 nan 0.000 0.431 587 Y N 0.228 120.453 120.300 -0.124 0.000 2.207 587 Y HA -0.289 4.251 4.550 -0.017 0.000 0.287 587 Y C 2.365 178.232 175.900 -0.055 0.000 1.156 587 Y CA 2.125 60.185 58.100 -0.067 0.000 1.182 587 Y CB -0.397 38.058 38.460 -0.009 0.000 0.979 587 Y HN 0.364 nan 8.280 nan 0.000 0.521 588 N N 0.273 118.892 118.700 -0.136 0.000 2.106 588 N HA -0.114 4.616 4.740 -0.017 0.000 0.188 588 N C 1.933 177.318 175.510 -0.208 0.000 1.029 588 N CA 1.555 54.482 53.050 -0.205 0.000 0.848 588 N CB -0.361 38.081 38.487 -0.076 0.000 1.007 588 N HN 0.417 nan 8.380 nan 0.000 0.423 589 R N 0.599 121.009 120.500 -0.150 0.000 2.070 589 R HA -0.009 4.321 4.340 -0.017 0.000 0.233 589 R C 2.314 178.518 176.300 -0.161 0.000 1.137 589 R CA 0.936 56.957 56.100 -0.131 0.000 0.945 589 R CB -0.555 29.682 30.300 -0.105 0.000 0.845 589 R HN 0.214 nan 8.270 nan 0.000 0.430 590 I N 1.223 121.680 120.570 -0.188 0.000 2.087 590 I HA -0.371 3.789 4.170 -0.017 0.000 0.240 590 I C 2.577 178.565 176.117 -0.215 0.000 1.054 590 I CA 1.540 62.724 61.300 -0.192 0.000 1.311 590 I CB -0.304 37.575 38.000 -0.202 0.000 1.024 590 I HN 0.153 nan 8.210 nan 0.000 0.402 591 K N 0.329 120.527 120.400 -0.337 0.000 2.218 591 K HA -0.263 4.047 4.320 -0.017 0.000 0.205 591 K C 2.083 178.560 176.600 -0.204 0.000 1.046 591 K CA 1.361 57.454 56.287 -0.325 0.000 0.933 591 K CB -0.084 32.110 32.500 -0.510 0.000 0.728 591 K HN 0.078 nan 8.250 nan 0.000 0.454 592 K N 1.473 121.765 120.400 -0.181 0.000 2.067 592 K HA -0.086 4.224 4.320 -0.017 0.000 0.203 592 K C 0.317 176.860 176.600 -0.096 0.000 1.048 592 K CA 1.169 57.380 56.287 -0.126 0.000 0.954 592 K CB 0.330 32.762 32.500 -0.113 0.000 0.737 592 K HN 0.206 nan 8.250 nan 0.000 0.444 593 E N -0.478 119.666 120.200 -0.094 0.000 3.374 593 E HA 0.225 4.565 4.350 -0.017 0.000 0.223 593 E C -2.396 174.162 176.600 -0.070 0.000 1.210 593 E CA -1.728 54.630 56.400 -0.068 0.000 0.987 593 E CB 1.347 31.014 29.700 -0.055 0.000 1.322 593 E HN 0.014 nan 8.360 nan 0.000 0.404 594 P HA -0.112 nan 4.420 nan 0.000 0.222 594 P C 0.610 177.885 177.300 -0.042 0.000 1.147 594 P CA 0.690 63.749 63.100 -0.069 0.000 0.790 594 P CB 0.171 31.833 31.700 -0.063 0.000 0.780 595 N N -0.419 118.266 118.700 -0.025 0.000 2.449 595 N HA -0.025 4.705 4.740 -0.017 0.000 0.191 595 N C 0.591 176.111 175.510 0.018 0.000 1.161 595 N CA 0.295 53.344 53.050 -0.001 0.000 0.863 595 N CB 0.173 38.660 38.487 0.001 0.000 0.980 595 N HN 0.270 nan 8.380 nan 0.000 0.458 596 K N 0.881 121.282 120.400 0.002 0.000 2.227 596 K HA 0.082 4.391 4.320 -0.017 0.000 0.280 596 K C -0.697 175.915 176.600 0.021 0.000 1.041 596 K CA -0.464 55.837 56.287 0.022 0.000 0.905 596 K CB 0.604 33.098 32.500 -0.009 0.000 1.068 596 K HN -0.197 nan 8.250 nan 0.000 0.470 597 F N 4.713 124.645 119.950 -0.030 0.000 2.484 597 F HA 0.244 4.761 4.527 -0.017 0.000 0.360 597 F C -0.607 175.173 175.800 -0.033 0.000 1.101 597 F CA 0.229 58.211 58.000 -0.029 0.000 1.251 597 F CB 0.709 39.694 39.000 -0.025 0.000 1.132 597 F HN 0.174 nan 8.300 nan 0.000 0.570 598 V N 5.703 124.871 119.914 -1.243 0.000 3.147 598 V HA 0.324 4.434 4.120 -0.017 0.000 0.306 598 V C -1.046 174.440 176.094 -1.012 0.000 1.209 598 V CA -1.039 60.812 62.300 -0.749 0.000 1.023 598 V CB 2.473 34.056 31.823 -0.400 0.000 1.059 598 V HN 0.506 nan 8.190 nan 0.000 0.435 599 V N 4.823 124.502 119.914 -0.392 0.000 2.521 599 V HA 0.221 4.331 4.120 -0.017 0.000 0.286 599 V C -2.140 173.811 176.094 -0.238 0.000 1.034 599 V CA -1.021 61.165 62.300 -0.190 0.000 1.045 599 V CB 0.981 32.781 31.823 -0.038 0.000 0.974 599 V HN 0.758 nan 8.190 nan 0.000 0.480 600 P HA 0.413 nan 4.420 nan 0.000 0.271 600 P C -0.784 176.442 177.300 -0.124 0.000 1.218 600 P CA -0.351 62.666 63.100 -0.137 0.000 0.780 600 P CB 0.498 32.163 31.700 -0.058 0.000 0.901 601 R N -0.548 119.889 120.500 -0.105 0.000 2.643 601 R HA 0.758 5.088 4.340 -0.017 0.000 0.269 601 R C -1.430 174.842 176.300 -0.047 0.000 1.037 601 R CA -0.824 55.218 56.100 -0.096 0.000 0.894 601 R CB 0.694 30.907 30.300 -0.145 0.000 1.238 601 R HN 0.135 nan 8.270 nan 0.000 0.459 602 T N 1.734 116.291 114.554 0.005 0.000 2.833 602 T HA 0.321 4.661 4.350 -0.017 0.000 0.297 602 T C -0.685 173.969 174.700 -0.077 0.000 1.015 602 T CA -0.623 61.452 62.100 -0.041 0.000 0.963 602 T CB 1.372 70.194 68.868 -0.077 0.000 0.955 602 T HN 0.332 nan 8.240 nan 0.000 0.449 603 V N 5.701 125.555 119.914 -0.100 0.000 2.370 603 V HA 0.502 4.612 4.120 -0.017 0.000 0.279 603 V C -0.035 175.986 176.094 -0.122 0.000 1.029 603 V CA -0.557 61.684 62.300 -0.098 0.000 0.870 603 V CB 0.938 32.710 31.823 -0.085 0.000 0.984 603 V HN 0.850 nan 8.190 nan 0.000 0.451 604 M N 6.511 126.029 119.600 -0.138 0.000 2.311 604 M HA 0.663 5.133 4.480 -0.017 0.000 0.325 604 M C -1.061 175.124 176.300 -0.192 0.000 1.061 604 M CA -0.203 54.999 55.300 -0.164 0.000 0.957 604 M CB 2.234 34.729 32.600 -0.175 0.000 1.646 604 M HN 0.421 nan 8.290 nan 0.000 0.434 605 I N 1.418 121.841 120.570 -0.245 0.000 2.619 605 I HA 0.886 5.046 4.170 -0.017 0.000 0.292 605 I C -0.113 175.615 176.117 -0.648 0.000 1.100 605 I CA -0.602 60.511 61.300 -0.312 0.000 1.043 605 I CB 2.540 40.440 38.000 -0.166 0.000 1.239 605 I HN 0.835 nan 8.210 nan 0.000 0.420 606 G N 2.702 111.113 108.800 -0.649 0.000 2.677 606 G HA2 0.812 4.762 3.960 -0.017 0.000 0.291 606 G HA3 0.812 4.762 3.960 -0.017 0.000 0.291 606 G C -1.128 173.492 174.900 -0.466 0.000 1.435 606 G CA -0.451 44.119 45.100 -0.882 0.000 0.826 606 G HN 1.031 nan 8.290 nan 0.000 0.491 607 G N -0.581 108.105 108.800 -0.190 0.000 2.337 607 G HA2 0.421 4.371 3.960 -0.017 0.000 0.310 607 G HA3 0.421 4.371 3.960 -0.017 0.000 0.310 607 G C -1.375 173.644 174.900 0.197 0.000 1.534 607 G CA -0.977 44.159 45.100 0.059 0.000 0.982 607 G HN 0.578 nan 8.290 nan 0.000 0.672 608 K N -0.298 120.210 120.400 0.180 0.000 2.098 608 K HA 0.774 5.084 4.320 -0.017 0.000 0.258 608 K C 0.089 176.785 176.600 0.159 0.000 0.973 608 K CA -0.237 56.172 56.287 0.203 0.000 0.898 608 K CB 2.025 34.555 32.500 0.051 0.000 1.057 608 K HN 0.911 nan 8.250 nan 0.000 0.447 609 A N 1.234 124.184 122.820 0.216 0.000 2.350 609 A HA 0.676 4.986 4.320 -0.017 0.000 0.324 609 A C -0.749 176.954 177.584 0.198 0.000 1.118 609 A CA -0.754 51.331 52.037 0.079 0.000 0.783 609 A CB 1.333 20.324 19.000 -0.015 0.000 1.236 609 A HN 0.752 nan 8.150 nan 0.000 0.457 610 A N 3.092 126.004 122.820 0.155 0.000 2.477 610 A HA 0.589 4.899 4.320 -0.017 0.000 0.246 610 A C -2.447 175.180 177.584 0.071 0.000 1.078 610 A CA -1.130 51.010 52.037 0.173 0.000 0.770 610 A CB -0.618 18.470 19.000 0.146 0.000 1.011 610 A HN 0.553 nan 8.150 nan 0.000 0.494 611 P HA 0.235 nan 4.420 nan 0.000 0.264 611 P C 1.051 178.331 177.300 -0.034 0.000 1.193 611 P CA 1.842 64.876 63.100 -0.111 0.000 0.763 611 P CB 0.619 32.189 31.700 -0.217 0.000 0.810 612 G N 2.077 110.872 108.800 -0.008 0.000 2.176 612 G HA2 -0.290 3.659 3.960 -0.017 0.000 0.253 612 G HA3 -0.290 3.659 3.960 -0.017 0.000 0.253 612 G C -0.128 174.814 174.900 0.071 0.000 0.979 612 G CA -0.272 44.839 45.100 0.018 0.000 0.641 612 G HN 0.567 nan 8.290 nan 0.000 0.530 613 Y N 2.802 123.052 120.300 -0.083 0.000 2.714 613 Y HA 0.421 4.961 4.550 -0.017 0.000 0.333 613 Y C 1.434 177.326 175.900 -0.013 0.000 1.220 613 Y CA -0.838 57.194 58.100 -0.114 0.000 1.513 613 Y CB -0.932 37.426 38.460 -0.170 0.000 1.435 613 Y HN 0.434 nan 8.280 nan 0.000 0.489 614 H N 3.334 122.521 119.070 0.196 0.000 2.321 614 H HA -0.255 4.291 4.556 -0.017 0.000 0.295 614 H C 1.553 176.930 175.328 0.082 0.000 1.102 614 H CA 2.351 58.464 56.048 0.108 0.000 1.266 614 H CB 0.410 30.225 29.762 0.089 0.000 1.363 614 H HN 0.596 nan 8.280 nan 0.000 0.492 615 M N 0.999 120.590 119.600 -0.015 0.000 2.108 615 M HA -0.092 4.378 4.480 -0.017 0.000 0.261 615 M C 2.619 178.699 176.300 -0.367 0.000 1.066 615 M CA 1.836 57.033 55.300 -0.172 0.000 1.107 615 M CB -0.891 31.772 32.600 0.104 0.000 1.356 615 M HN 0.379 nan 8.290 nan 0.000 0.406 616 A N -0.355 122.042 122.820 -0.705 0.000 1.978 616 A HA -0.184 4.126 4.320 -0.017 0.000 0.220 616 A C 2.155 179.555 177.584 -0.307 0.000 1.170 616 A CA 1.661 53.296 52.037 -0.670 0.000 0.636 616 A CB -0.617 17.843 19.000 -0.900 0.000 0.810 616 A HN 0.514 nan 8.150 nan 0.000 0.448 617 K N -1.174 119.096 120.400 -0.217 0.000 2.103 617 K HA -0.008 4.302 4.320 -0.017 0.000 0.204 617 K C 1.914 178.468 176.600 -0.077 0.000 1.052 617 K CA 0.973 57.218 56.287 -0.071 0.000 0.945 617 K CB -0.311 32.221 32.500 0.053 0.000 0.722 617 K HN 0.372 nan 8.250 nan 0.000 0.443 618 M N 0.860 120.357 119.600 -0.172 0.000 2.117 618 M HA -0.081 4.388 4.480 -0.017 0.000 0.262 618 M C 2.305 178.551 176.300 -0.090 0.000 1.065 618 M CA 1.302 56.515 55.300 -0.145 0.000 1.114 618 M CB -0.877 31.580 32.600 -0.239 0.000 1.361 618 M HN 0.047 nan 8.290 nan 0.000 0.408 619 I N 0.254 120.749 120.570 -0.124 0.000 2.099 619 I HA -0.342 3.818 4.170 -0.017 0.000 0.239 619 I C 2.311 178.352 176.117 -0.128 0.000 1.066 619 I CA 1.121 62.358 61.300 -0.105 0.000 1.324 619 I CB -0.440 37.482 38.000 -0.130 0.000 1.037 619 I HN 0.179 nan 8.210 nan 0.000 0.401 620 I N 0.672 121.136 120.570 -0.177 0.000 2.151 620 I HA -0.344 3.816 4.170 -0.017 0.000 0.243 620 I C 2.576 178.459 176.117 -0.391 0.000 1.080 620 I CA 1.685 62.795 61.300 -0.316 0.000 1.339 620 I CB -1.089 36.661 38.000 -0.416 0.000 1.039 620 I HN 0.280 nan 8.210 nan 0.000 0.409 621 K N 1.765 121.930 120.400 -0.392 0.000 2.063 621 K HA -0.157 4.153 4.320 -0.017 0.000 0.208 621 K C 2.159 178.656 176.600 -0.171 0.000 1.048 621 K CA 1.351 57.327 56.287 -0.519 0.000 0.928 621 K CB -0.626 31.290 32.500 -0.973 0.000 0.713 621 K HN 0.289 nan 8.250 nan 0.000 0.442 622 L N 0.356 121.585 121.223 0.011 0.000 2.046 622 L HA -0.167 4.163 4.340 -0.017 0.000 0.208 622 L C 2.121 178.833 176.870 -0.263 0.000 1.077 622 L CA 1.665 56.433 54.840 -0.119 0.000 0.747 622 L CB -0.249 41.719 42.059 -0.151 0.000 0.896 622 L HN 0.288 nan 8.230 nan 0.000 0.432 623 I N -0.141 120.315 120.570 -0.190 0.000 2.142 623 I HA -0.324 3.836 4.170 -0.017 0.000 0.240 623 I C 2.690 178.721 176.117 -0.143 0.000 1.078 623 I CA 1.837 63.056 61.300 -0.135 0.000 1.343 623 I CB -0.690 37.325 38.000 0.025 0.000 1.046 623 I HN 0.411 nan 8.210 nan 0.000 0.405 624 T N -0.212 114.231 114.554 -0.185 0.000 2.684 624 T HA -0.231 4.109 4.350 -0.017 0.000 0.267 624 T C 2.038 176.659 174.700 -0.132 0.000 1.036 624 T CA 1.248 63.247 62.100 -0.169 0.000 1.148 624 T CB -0.775 67.930 68.868 -0.271 0.000 0.863 624 T HN 0.357 nan 8.240 nan 0.000 0.436 625 A N 1.816 124.556 122.820 -0.134 0.000 1.873 625 A HA -0.029 4.281 4.320 -0.017 0.000 0.218 625 A C 2.442 179.968 177.584 -0.097 0.000 1.193 625 A CA 1.934 53.932 52.037 -0.065 0.000 0.629 625 A CB -1.060 17.946 19.000 0.009 0.000 0.826 625 A HN 0.603 nan 8.150 nan 0.000 0.447 626 I N -0.324 120.097 120.570 -0.248 0.000 2.163 626 I HA -0.229 3.931 4.170 -0.017 0.000 0.243 626 I C 2.735 178.747 176.117 -0.175 0.000 1.085 626 I CA 1.370 62.504 61.300 -0.277 0.000 1.347 626 I CB -0.639 37.117 38.000 -0.407 0.000 1.044 626 I HN 0.397 nan 8.210 nan 0.000 0.408 627 G N 0.139 108.851 108.800 -0.146 0.000 2.440 627 G HA2 -0.273 3.677 3.960 -0.017 0.000 0.218 627 G HA3 -0.273 3.677 3.960 -0.017 0.000 0.218 627 G C 1.306 176.141 174.900 -0.109 0.000 1.154 627 G CA 1.090 46.113 45.100 -0.127 0.000 0.767 627 G HN 0.291 nan 8.290 nan 0.000 0.552 628 D N 0.068 120.443 120.400 -0.041 0.000 2.123 628 D HA -0.099 4.531 4.640 -0.017 0.000 0.196 628 D C 2.737 179.055 176.300 0.030 0.000 0.992 628 D CA 0.911 54.938 54.000 0.046 0.000 0.833 628 D CB -0.316 40.503 40.800 0.032 0.000 0.954 628 D HN 0.246 nan 8.370 nan 0.000 0.455 629 V N 0.383 120.266 119.914 -0.052 0.000 2.273 629 V HA -0.160 3.950 4.120 -0.017 0.000 0.242 629 V C 2.669 178.644 176.094 -0.198 0.000 1.035 629 V CA 0.879 63.113 62.300 -0.110 0.000 1.013 629 V CB -0.457 31.297 31.823 -0.114 0.000 0.652 629 V HN 0.020 nan 8.190 nan 0.000 0.452 630 V N 1.408 121.141 119.914 -0.300 0.000 2.287 630 V HA -0.251 3.859 4.120 -0.017 0.000 0.248 630 V C 2.117 178.060 176.094 -0.252 0.000 1.053 630 V CA 2.200 64.323 62.300 -0.295 0.000 1.027 630 V CB -1.045 30.597 31.823 -0.302 0.000 0.646 630 V HN 0.634 nan 8.190 nan 0.000 0.447 631 N N 0.029 118.479 118.700 -0.415 0.000 2.573 631 N HA -0.115 4.615 4.740 -0.017 0.000 0.187 631 N C 0.919 175.790 175.510 -1.066 0.000 1.107 631 N CA 0.961 53.605 53.050 -0.676 0.000 0.918 631 N CB -0.388 37.738 38.487 -0.601 0.000 0.966 631 N HN 0.736 nan 8.380 nan 0.000 0.448 632 H N -1.288 117.781 119.070 -0.001 0.000 2.510 632 H HA 0.248 4.794 4.556 -0.017 0.000 0.266 632 H C -0.757 174.593 175.328 0.036 0.000 1.146 632 H CA -0.561 55.495 56.048 0.013 0.000 0.993 632 H CB 0.487 30.249 29.762 0.000 0.000 1.727 632 H HN -0.053 nan 8.280 nan 0.000 0.590 633 D N 1.911 122.348 120.400 0.061 0.000 2.392 633 D HA 0.088 4.718 4.640 -0.017 0.000 0.228 633 D C -1.539 174.812 176.300 0.085 0.000 1.074 633 D CA -2.490 51.580 54.000 0.116 0.000 0.838 633 D CB 1.990 42.924 40.800 0.224 0.000 1.067 633 D HN 0.107 nan 8.370 nan 0.000 0.511 634 P HA -0.101 nan 4.420 nan 0.000 0.223 634 P C 1.286 178.611 177.300 0.041 0.000 1.151 634 P CA 0.496 63.631 63.100 0.058 0.000 0.787 634 P CB 0.333 32.065 31.700 0.054 0.000 0.788 635 V N -1.209 118.729 119.914 0.039 0.000 3.041 635 V HA -0.104 4.006 4.120 -0.017 0.000 0.260 635 V C 2.587 178.683 176.094 0.004 0.000 1.105 635 V CA 1.074 63.382 62.300 0.013 0.000 1.125 635 V CB -1.331 30.490 31.823 -0.004 0.000 0.730 635 V HN -0.048 nan 8.190 nan 0.000 0.479 636 V N 0.540 120.473 119.914 0.032 0.000 2.346 636 V HA 0.328 4.438 4.120 -0.017 0.000 0.244 636 V C 1.737 177.829 176.094 -0.003 0.000 1.037 636 V CA 1.182 63.495 62.300 0.021 0.000 1.029 636 V CB -1.543 30.331 31.823 0.084 0.000 0.663 636 V HN 0.762 nan 8.190 nan 0.000 0.454 637 G N 0.514 109.318 108.800 0.007 0.000 2.641 637 G HA2 -0.334 3.616 3.960 -0.017 0.000 0.254 637 G HA3 -0.334 3.616 3.960 -0.017 0.000 0.254 637 G C 0.440 175.327 174.900 -0.021 0.000 1.315 637 G CA 0.309 45.411 45.100 0.003 0.000 0.907 637 G HN 0.272 nan 8.290 nan 0.000 0.572 638 D N 0.268 120.657 120.400 -0.017 0.000 2.244 638 D HA -0.173 4.456 4.640 -0.017 0.000 0.197 638 D C 2.585 178.854 176.300 -0.052 0.000 1.006 638 D CA 1.774 55.754 54.000 -0.034 0.000 0.888 638 D CB -0.071 40.729 40.800 -0.000 0.000 0.912 638 D HN 0.549 nan 8.370 nan 0.000 0.452 639 R N -0.388 120.077 120.500 -0.059 0.000 2.154 639 R HA -0.086 4.244 4.340 -0.017 0.000 0.236 639 R C 1.188 177.435 176.300 -0.090 0.000 1.121 639 R CA 0.794 56.838 56.100 -0.094 0.000 0.915 639 R CB -0.232 29.991 30.300 -0.128 0.000 0.856 639 R HN 0.180 nan 8.270 nan 0.000 0.431 640 L N 0.779 121.962 121.223 -0.067 0.000 2.341 640 L HA 0.460 4.790 4.340 -0.017 0.000 0.278 640 L C -1.122 175.701 176.870 -0.078 0.000 1.005 640 L CA -0.804 53.995 54.840 -0.068 0.000 0.818 640 L CB 1.847 43.884 42.059 -0.036 0.000 1.259 640 L HN 0.124 nan 8.230 nan 0.000 0.418 641 R N 2.520 122.966 120.500 -0.090 0.000 2.575 641 R HA 0.598 4.928 4.340 -0.017 0.000 0.293 641 R C -1.479 174.755 176.300 -0.109 0.000 0.983 641 R CA -0.381 55.654 56.100 -0.107 0.000 0.887 641 R CB 2.263 32.500 30.300 -0.106 0.000 1.184 641 R HN 0.328 nan 8.270 nan 0.000 0.445 642 V N 5.648 125.492 119.914 -0.116 0.000 2.409 642 V HA 0.573 4.683 4.120 -0.017 0.000 0.291 642 V C -0.355 175.690 176.094 -0.082 0.000 1.020 642 V CA -0.540 61.697 62.300 -0.105 0.000 0.848 642 V CB 1.512 33.263 31.823 -0.119 0.000 0.990 642 V HN 0.605 nan 8.190 nan 0.000 0.430 643 I N 4.721 125.247 120.570 -0.074 0.000 2.582 643 I HA 0.418 4.578 4.170 -0.017 0.000 0.292 643 I C -1.139 174.959 176.117 -0.032 0.000 1.066 643 I CA -0.548 60.725 61.300 -0.044 0.000 1.053 643 I CB 2.445 40.402 38.000 -0.072 0.000 1.241 643 I HN 0.515 nan 8.210 nan 0.000 0.421 644 F N 6.750 126.641 119.950 -0.099 0.000 2.405 644 F HA 0.423 4.940 4.527 -0.016 0.000 0.355 644 F C -0.716 175.034 175.800 -0.083 0.000 1.121 644 F CA -0.592 57.352 58.000 -0.093 0.000 1.112 644 F CB 0.860 39.803 39.000 -0.096 0.000 1.126 644 F HN 0.198 nan 8.300 nan 0.000 0.481 645 L N 6.726 127.558 121.223 -0.652 0.000 2.268 645 L HA 0.262 4.592 4.340 -0.017 0.000 0.289 645 L C 0.095 176.793 176.870 -0.287 0.000 1.064 645 L CA -0.221 54.429 54.840 -0.318 0.000 0.824 645 L CB 0.462 42.378 42.059 -0.239 0.000 1.202 645 L HN 0.584 nan 8.230 nan 0.000 0.433 646 E N 3.047 123.248 120.200 0.001 0.000 2.392 646 E HA -0.034 4.306 4.350 -0.017 0.000 0.264 646 E C 0.356 177.069 176.600 0.189 0.000 1.024 646 E CA -0.191 56.327 56.400 0.197 0.000 0.903 646 E CB 0.363 30.114 29.700 0.085 0.000 0.963 646 E HN 0.429 nan 8.360 nan 0.000 0.432 647 N N 1.895 120.736 118.700 0.235 0.000 2.714 647 N HA -0.261 4.469 4.740 -0.017 0.000 0.253 647 N C -1.238 174.373 175.510 0.169 0.000 1.024 647 N CA 0.512 53.678 53.050 0.193 0.000 0.726 647 N CB -1.561 37.047 38.487 0.201 0.000 0.908 647 N HN 0.450 nan 8.380 nan 0.000 0.542 648 Y N 1.468 121.790 120.300 0.037 0.000 2.526 648 Y HA 0.326 4.865 4.550 -0.017 0.000 0.330 648 Y C 1.076 176.997 175.900 0.034 0.000 1.156 648 Y CA 0.395 58.500 58.100 0.009 0.000 1.419 648 Y CB 0.419 38.849 38.460 -0.050 0.000 1.250 648 Y HN 0.392 nan 8.280 nan 0.000 0.540 649 R N 2.408 122.561 120.500 -0.579 0.000 2.907 649 R HA 0.383 4.713 4.340 -0.017 0.000 0.266 649 R C -0.385 175.587 176.300 -0.546 0.000 1.031 649 R CA -0.426 55.428 56.100 -0.410 0.000 0.904 649 R CB 0.115 30.357 30.300 -0.096 0.000 1.358 649 R HN 0.399 nan 8.270 nan 0.000 0.438 650 V N 1.098 120.730 119.914 -0.469 0.000 2.231 650 V HA -0.281 3.829 4.120 -0.017 0.000 0.250 650 V C 2.261 178.222 176.094 -0.222 0.000 1.058 650 V CA 2.780 64.859 62.300 -0.367 0.000 1.022 650 V CB -0.851 30.717 31.823 -0.425 0.000 0.640 650 V HN 0.813 nan 8.190 nan 0.000 0.445 651 S N -0.130 115.470 115.700 -0.166 0.000 2.402 651 S HA -0.203 4.257 4.470 -0.017 0.000 0.233 651 S C 1.812 176.371 174.600 -0.069 0.000 1.030 651 S CA 1.808 59.945 58.200 -0.105 0.000 1.003 651 S CB -0.426 62.743 63.200 -0.052 0.000 0.813 651 S HN 0.428 nan 8.310 nan 0.000 0.477 652 L N 1.465 122.644 121.223 -0.074 0.000 2.131 652 L HA 0.167 4.497 4.340 -0.017 0.000 0.206 652 L C 2.365 179.240 176.870 0.008 0.000 1.087 652 L CA 1.423 56.262 54.840 -0.002 0.000 0.767 652 L CB -0.881 41.228 42.059 0.084 0.000 0.917 652 L HN 0.242 nan 8.230 nan 0.000 0.441 653 A N -0.823 121.960 122.820 -0.061 0.000 1.972 653 A HA -0.225 4.085 4.320 -0.017 0.000 0.219 653 A C 2.121 179.769 177.584 0.107 0.000 1.169 653 A CA 1.781 53.876 52.037 0.096 0.000 0.635 653 A CB -0.569 18.450 19.000 0.032 0.000 0.810 653 A HN 0.589 nan 8.150 nan 0.000 0.446 654 E N -0.461 119.777 120.200 0.065 0.000 2.338 654 E HA -0.131 4.209 4.350 -0.017 0.000 0.197 654 E C 1.744 178.327 176.600 -0.028 0.000 1.007 654 E CA 1.055 57.460 56.400 0.010 0.000 0.849 654 E CB -0.012 29.608 29.700 -0.133 0.000 0.774 654 E HN 0.639 nan 8.360 nan 0.000 0.506 655 K N -0.100 120.269 120.400 -0.052 0.000 2.244 655 K HA 0.052 4.362 4.320 -0.017 0.000 0.200 655 K C 2.066 178.524 176.600 -0.236 0.000 1.052 655 K CA 0.302 56.556 56.287 -0.055 0.000 0.980 655 K CB 0.250 32.734 32.500 -0.027 0.000 0.838 655 K HN -0.056 nan 8.250 nan 0.000 0.481 656 V N 1.757 121.436 119.914 -0.392 0.000 2.535 656 V HA -0.097 4.013 4.120 -0.017 0.000 0.246 656 V C 1.839 177.704 176.094 -0.382 0.000 1.045 656 V CA 1.021 62.883 62.300 -0.730 0.000 1.058 656 V CB -0.128 31.295 31.823 -0.666 0.000 0.689 656 V HN 0.177 nan 8.190 nan 0.000 0.461 657 I N 1.006 121.397 120.570 -0.298 0.000 2.099 657 I HA -0.138 4.022 4.170 -0.017 0.000 0.239 657 I C -0.172 175.843 176.117 -0.170 0.000 1.066 657 I CA 1.824 62.880 61.300 -0.407 0.000 1.324 657 I CB -1.768 35.770 38.000 -0.771 0.000 1.037 657 I HN 0.325 nan 8.210 nan 0.000 0.401 658 P HA -0.167 nan 4.420 nan 0.000 0.221 658 P C 0.985 178.298 177.300 0.022 0.000 1.145 658 P CA 1.626 64.717 63.100 -0.015 0.000 0.795 658 P CB -0.063 31.637 31.700 0.000 0.000 0.775 659 A N -1.623 121.197 122.820 -0.000 0.000 2.275 659 A HA 0.477 4.787 4.320 -0.017 0.000 0.212 659 A C 1.162 178.855 177.584 0.181 0.000 1.201 659 A CA 0.231 52.321 52.037 0.089 0.000 0.843 659 A CB -0.574 18.489 19.000 0.104 0.000 0.873 659 A HN 0.218 nan 8.150 nan 0.000 0.492 660 A N -0.612 122.305 122.820 0.162 0.000 2.282 660 A HA 0.557 4.867 4.320 -0.017 0.000 0.319 660 A C 0.263 177.988 177.584 0.236 0.000 1.121 660 A CA -0.298 51.889 52.037 0.251 0.000 0.836 660 A CB 0.614 19.816 19.000 0.337 0.000 1.146 660 A HN 0.183 nan 8.150 nan 0.000 0.494 661 D N -0.612 119.922 120.400 0.224 0.000 2.394 661 D HA 0.133 4.763 4.640 -0.017 0.000 0.226 661 D C -0.478 176.110 176.300 0.480 0.000 0.990 661 D CA 0.839 55.050 54.000 0.351 0.000 0.902 661 D CB 0.448 41.260 40.800 0.020 0.000 1.038 661 D HN 0.282 nan 8.370 nan 0.000 0.499 662 L N 0.716 122.048 121.223 0.182 0.000 2.404 662 L HA 0.341 4.671 4.340 -0.017 0.000 0.272 662 L C -0.831 175.909 176.870 -0.217 0.000 0.980 662 L CA -0.590 54.274 54.840 0.040 0.000 0.836 662 L CB 2.038 44.109 42.059 0.020 0.000 1.238 662 L HN -0.298 nan 8.230 nan 0.000 0.408 663 S N 4.067 119.533 115.700 -0.391 0.000 2.439 663 S HA 0.369 4.829 4.470 -0.017 0.000 0.282 663 S C -0.334 174.000 174.600 -0.445 0.000 1.170 663 S CA -0.539 57.173 58.200 -0.814 0.000 1.054 663 S CB 0.186 62.847 63.200 -0.898 0.000 0.956 663 S HN 0.605 nan 8.310 nan 0.000 0.490 664 E N 4.509 124.479 120.200 -0.383 0.000 1.996 664 E HA 0.140 4.480 4.350 -0.017 0.000 0.280 664 E C -0.637 175.885 176.600 -0.129 0.000 1.092 664 E CA -0.096 56.214 56.400 -0.150 0.000 0.862 664 E CB 0.932 30.570 29.700 -0.103 0.000 1.066 664 E HN 0.618 nan 8.360 nan 0.000 0.396 665 Q N 2.446 122.223 119.800 -0.038 0.000 2.788 665 Q HA 0.285 4.615 4.340 -0.017 0.000 0.261 665 Q C -0.326 175.700 176.000 0.043 0.000 1.029 665 Q CA -0.069 55.721 55.803 -0.021 0.000 0.848 665 Q CB 0.316 29.032 28.738 -0.038 0.000 1.185 665 Q HN 0.424 nan 8.270 nan 0.000 0.482 666 I N -0.810 119.776 120.570 0.027 0.000 3.283 666 I HA 0.231 4.391 4.170 -0.017 0.000 0.342 666 I C 0.236 176.340 176.117 -0.021 0.000 1.510 666 I CA -0.298 61.036 61.300 0.056 0.000 1.006 666 I CB 1.107 39.257 38.000 0.249 0.000 1.596 666 I HN 0.167 nan 8.210 nan 0.000 0.509 667 S N 1.120 116.797 115.700 -0.039 0.000 2.568 667 S HA 0.180 4.640 4.470 -0.017 0.000 0.282 667 S C 0.683 175.284 174.600 0.002 0.000 1.338 667 S CA 0.007 58.198 58.200 -0.015 0.000 1.045 667 S CB 0.400 63.630 63.200 0.049 0.000 0.873 667 S HN 0.456 nan 8.310 nan 0.000 0.516 668 T N 4.159 118.746 114.554 0.055 0.000 2.867 668 T HA 0.286 4.626 4.350 -0.017 0.000 0.297 668 T C 0.470 175.190 174.700 0.034 0.000 0.989 668 T CA -0.146 61.988 62.100 0.057 0.000 1.159 668 T CB 0.337 69.305 68.868 0.167 0.000 0.928 668 T HN 0.789 nan 8.240 nan 0.000 0.538 669 A N 2.854 125.658 122.820 -0.026 0.000 2.584 669 A HA 0.433 4.743 4.320 -0.017 0.000 0.239 669 A C 1.676 179.258 177.584 -0.003 0.000 1.043 669 A CA 0.351 52.368 52.037 -0.032 0.000 0.756 669 A CB -0.833 18.133 19.000 -0.056 0.000 0.963 669 A HN 1.731 nan 8.150 nan 0.000 0.511 670 G N 1.211 110.009 108.800 -0.003 0.000 2.175 670 G HA2 -0.270 3.680 3.960 -0.017 0.000 0.244 670 G HA3 -0.270 3.680 3.960 -0.017 0.000 0.244 670 G C 0.958 175.853 174.900 -0.008 0.000 0.982 670 G CA 1.251 46.350 45.100 -0.001 0.000 0.641 670 G HN 1.996 nan 8.290 nan 0.000 0.527 671 T N -2.015 112.537 114.554 -0.005 0.000 2.988 671 T HA 0.345 4.685 4.350 -0.017 0.000 0.240 671 T C 0.902 175.474 174.700 -0.214 0.000 1.014 671 T CA 1.154 63.190 62.100 -0.107 0.000 1.155 671 T CB 0.238 69.124 68.868 0.029 0.000 0.872 671 T HN 0.295 nan 8.240 nan 0.000 0.440 672 E N 1.675 121.876 120.200 0.002 0.000 2.104 672 E HA 0.581 4.921 4.350 -0.017 0.000 0.278 672 E C 1.109 177.675 176.600 -0.057 0.000 1.127 672 E CA 0.185 56.623 56.400 0.063 0.000 0.897 672 E CB 0.697 30.503 29.700 0.177 0.000 1.043 672 E HN 0.423 nan 8.360 nan 0.000 0.410 673 A N 3.426 126.137 122.820 -0.181 0.000 1.908 673 A HA -0.191 4.119 4.320 -0.017 0.000 0.218 673 A C 1.953 179.426 177.584 -0.186 0.000 1.181 673 A CA 2.136 53.935 52.037 -0.396 0.000 0.627 673 A CB -0.173 18.270 19.000 -0.929 0.000 0.818 673 A HN 0.619 nan 8.150 nan 0.000 0.445 674 S N -4.137 111.513 115.700 -0.082 0.000 4.428 674 S HA 0.448 4.908 4.470 -0.017 0.000 0.199 674 S C 0.667 175.271 174.600 0.006 0.000 1.156 674 S CA 1.374 59.572 58.200 -0.004 0.000 1.134 674 S CB -0.200 63.021 63.200 0.034 0.000 1.531 674 S HN 2.290 nan 8.310 nan 0.000 0.551 675 G N 0.183 108.995 108.800 0.019 0.000 2.712 675 G HA2 0.030 3.980 3.960 -0.017 0.000 0.686 675 G HA3 0.030 3.980 3.960 -0.017 0.000 0.686 675 G C 0.216 175.115 174.900 -0.001 0.000 1.321 675 G CA 0.413 45.523 45.100 0.015 0.000 0.813 675 G HN 1.461 nan 8.290 nan 0.000 0.599 676 T N -2.761 111.777 114.554 -0.026 0.000 3.123 676 T HA 0.356 4.696 4.350 -0.017 0.000 0.259 676 T C 2.294 176.907 174.700 -0.145 0.000 0.871 676 T CA 1.242 63.299 62.100 -0.073 0.000 0.857 676 T CB 0.207 69.034 68.868 -0.068 0.000 1.267 676 T HN 1.956 nan 8.240 nan 0.000 0.556 677 G N 1.849 110.590 108.800 -0.099 0.000 2.448 677 G HA2 -0.199 3.751 3.960 -0.017 0.000 0.219 677 G HA3 -0.199 3.751 3.960 -0.017 0.000 0.219 677 G C 1.260 176.211 174.900 0.084 0.000 1.127 677 G CA 0.969 46.022 45.100 -0.078 0.000 0.766 677 G HN 0.635 nan 8.290 nan 0.000 0.552 678 N N -0.027 118.695 118.700 0.037 0.000 2.096 678 N HA -0.252 4.478 4.740 -0.017 0.000 0.198 678 N C 2.350 177.852 175.510 -0.014 0.000 1.017 678 N CA 2.261 55.313 53.050 0.004 0.000 0.889 678 N CB -0.199 38.237 38.487 -0.084 0.000 1.081 678 N HN 0.332 nan 8.380 nan 0.000 0.549 679 M N 0.403 119.931 119.600 -0.121 0.000 2.175 679 M HA -0.102 4.368 4.480 -0.017 0.000 0.264 679 M C 1.975 178.215 176.300 -0.100 0.000 1.063 679 M CA 1.286 56.496 55.300 -0.150 0.000 1.119 679 M CB -0.196 32.330 32.600 -0.123 0.000 1.377 679 M HN 0.092 nan 8.290 nan 0.000 0.415 680 K N 0.307 120.580 120.400 -0.212 0.000 2.063 680 K HA -0.117 4.193 4.320 -0.017 0.000 0.208 680 K C 1.716 178.194 176.600 -0.203 0.000 1.048 680 K CA 1.419 57.510 56.287 -0.326 0.000 0.928 680 K CB -0.286 31.789 32.500 -0.708 0.000 0.713 680 K HN 0.175 nan 8.250 nan 0.000 0.442 681 F N 0.957 120.829 119.950 -0.131 0.000 2.234 681 F HA -0.070 4.446 4.527 -0.017 0.000 0.299 681 F C 2.472 178.228 175.800 -0.074 0.000 1.087 681 F CA 0.984 58.930 58.000 -0.090 0.000 1.340 681 F CB -0.254 38.683 39.000 -0.104 0.000 1.031 681 F HN -0.003 nan 8.300 nan 0.000 0.500 682 M N -0.520 119.143 119.600 0.105 0.000 2.159 682 M HA -0.199 4.271 4.480 -0.017 0.000 0.263 682 M C 1.978 178.309 176.300 0.052 0.000 1.063 682 M CA 1.638 56.962 55.300 0.040 0.000 1.110 682 M CB -0.211 32.400 32.600 0.019 0.000 1.374 682 M HN 0.225 nan 8.290 nan 0.000 0.411 683 L N -0.279 120.980 121.223 0.059 0.000 2.341 683 L HA -0.076 4.254 4.340 -0.017 0.000 0.214 683 L C 0.987 177.891 176.870 0.057 0.000 1.115 683 L CA 0.593 55.476 54.840 0.071 0.000 0.820 683 L CB -0.278 41.838 42.059 0.095 0.000 0.944 683 L HN 0.353 nan 8.230 nan 0.000 0.452 684 N N 0.361 119.088 118.700 0.046 0.000 2.251 684 N HA 0.076 4.806 4.740 -0.017 0.000 0.217 684 N C 0.601 176.144 175.510 0.054 0.000 1.124 684 N CA 0.707 53.781 53.050 0.041 0.000 0.843 684 N CB 0.745 39.236 38.487 0.008 0.000 1.024 684 N HN 0.262 nan 8.380 nan 0.000 0.501 685 G N 1.119 109.947 108.800 0.047 0.000 2.370 685 G HA2 -0.136 3.814 3.960 -0.017 0.000 0.295 685 G HA3 -0.136 3.814 3.960 -0.017 0.000 0.295 685 G C -0.195 174.751 174.900 0.076 0.000 1.045 685 G CA 0.313 45.436 45.100 0.037 0.000 1.199 685 G HN 0.508 nan 8.290 nan 0.000 0.513 686 A N 1.838 124.698 122.820 0.066 0.000 2.380 686 A HA 0.894 5.204 4.320 -0.017 0.000 0.315 686 A C -0.002 177.507 177.584 -0.124 0.000 1.101 686 A CA -0.886 51.203 52.037 0.086 0.000 0.771 686 A CB 1.383 20.514 19.000 0.218 0.000 1.287 686 A HN 0.711 nan 8.150 nan 0.000 0.436 687 L N 0.975 122.042 121.223 -0.259 0.000 2.379 687 L HA 0.498 4.828 4.340 -0.017 0.000 0.269 687 L C 0.447 177.131 176.870 -0.310 0.000 1.084 687 L CA 0.250 54.837 54.840 -0.421 0.000 0.802 687 L CB 1.147 42.806 42.059 -0.667 0.000 1.175 687 L HN 0.746 nan 8.230 nan 0.000 0.448 688 T N 3.706 117.960 114.554 -0.500 0.000 2.771 688 T HA 0.482 4.822 4.350 -0.017 0.000 0.281 688 T C -0.044 174.584 174.700 -0.119 0.000 0.982 688 T CA -0.216 61.650 62.100 -0.390 0.000 0.978 688 T CB 1.303 69.760 68.868 -0.685 0.000 0.930 688 T HN 0.430 nan 8.240 nan 0.000 0.447 689 I N 2.960 123.542 120.570 0.019 0.000 2.359 689 I HA 0.739 4.899 4.170 -0.017 0.000 0.294 689 I C 0.201 176.505 176.117 0.311 0.000 0.987 689 I CA 0.230 61.645 61.300 0.192 0.000 1.225 689 I CB 0.394 38.427 38.000 0.055 0.000 1.366 689 I HN 0.760 nan 8.210 nan 0.000 0.466 690 G N 3.969 113.060 108.800 0.485 0.000 2.506 690 G HA2 0.443 4.393 3.960 -0.017 0.000 0.292 690 G HA3 0.443 4.393 3.960 -0.017 0.000 0.292 690 G C -0.966 173.917 174.900 -0.028 0.000 1.425 690 G CA -0.191 45.108 45.100 0.331 0.000 0.788 690 G HN 0.658 nan 8.290 nan 0.000 0.490 691 T N -1.811 112.570 114.554 -0.289 0.000 2.912 691 T HA 0.586 4.926 4.350 -0.017 0.000 0.280 691 T C 0.532 175.110 174.700 -0.204 0.000 0.989 691 T CA -0.724 61.093 62.100 -0.473 0.000 0.995 691 T CB 1.336 69.940 68.868 -0.440 0.000 1.077 691 T HN 0.258 nan 8.240 nan 0.000 0.531 692 M N 2.713 122.203 119.600 -0.183 0.000 3.396 692 M HA 0.377 4.847 4.480 -0.017 0.000 0.255 692 M C -0.620 175.622 176.300 -0.096 0.000 1.398 692 M CA -0.317 54.908 55.300 -0.126 0.000 1.554 692 M CB -1.419 31.114 32.600 -0.111 0.000 1.070 692 M HN 0.721 nan 8.290 nan 0.000 0.587 693 D N -0.118 120.234 120.400 -0.080 0.000 2.575 693 D HA 0.691 5.321 4.640 -0.017 0.000 0.236 693 D C 0.708 176.991 176.300 -0.029 0.000 1.075 693 D CA 0.680 54.652 54.000 -0.046 0.000 0.860 693 D CB 1.856 42.633 40.800 -0.038 0.000 1.475 693 D HN 0.611 nan 8.370 nan 0.000 0.474 694 G N 1.691 110.486 108.800 -0.008 0.000 2.594 694 G HA2 -0.246 3.704 3.960 -0.017 0.000 0.297 694 G HA3 -0.246 3.704 3.960 -0.017 0.000 0.297 694 G C 1.038 175.937 174.900 -0.001 0.000 1.273 694 G CA 1.049 46.151 45.100 0.002 0.000 0.974 694 G HN 1.004 nan 8.290 nan 0.000 0.552 695 A N -0.441 122.377 122.820 -0.004 0.000 2.119 695 A HA 0.040 4.350 4.320 -0.017 0.000 0.217 695 A C 2.132 179.664 177.584 -0.087 0.000 1.153 695 A CA 1.955 53.984 52.037 -0.012 0.000 0.692 695 A CB -0.461 18.520 19.000 -0.031 0.000 0.799 695 A HN 0.651 nan 8.150 nan 0.000 0.458 696 N N 0.576 119.223 118.700 -0.089 0.000 2.205 696 N HA -0.145 4.585 4.740 -0.017 0.000 0.186 696 N C 1.609 176.963 175.510 -0.259 0.000 1.015 696 N CA 1.551 54.522 53.050 -0.131 0.000 0.862 696 N CB -0.622 37.834 38.487 -0.052 0.000 0.986 696 N HN 0.326 nan 8.380 nan 0.000 0.429 697 V N 1.284 121.101 119.914 -0.163 0.000 2.287 697 V HA -0.219 3.891 4.120 -0.017 0.000 0.248 697 V C 2.098 178.106 176.094 -0.143 0.000 1.053 697 V CA 1.704 63.912 62.300 -0.153 0.000 1.027 697 V CB -0.495 31.279 31.823 -0.081 0.000 0.646 697 V HN 0.322 nan 8.190 nan 0.000 0.447 698 E N -0.675 119.495 120.200 -0.049 0.000 2.112 698 E HA -0.118 4.222 4.350 -0.017 0.000 0.190 698 E C 2.246 178.938 176.600 0.153 0.000 0.979 698 E CA 1.039 57.485 56.400 0.077 0.000 0.814 698 E CB -0.165 29.684 29.700 0.248 0.000 0.762 698 E HN 0.523 nan 8.360 nan 0.000 0.460 699 M N 0.553 120.156 119.600 0.006 0.000 2.065 699 M HA -0.189 4.281 4.480 -0.017 0.000 0.259 699 M C 2.542 178.663 176.300 -0.298 0.000 1.071 699 M CA 1.738 57.000 55.300 -0.063 0.000 1.109 699 M CB -0.320 32.137 32.600 -0.238 0.000 1.313 699 M HN 0.139 nan 8.290 nan 0.000 0.408 700 A N -0.226 122.021 122.820 -0.956 0.000 1.948 700 A HA -0.254 4.056 4.320 -0.017 0.000 0.220 700 A C 2.010 179.380 177.584 -0.357 0.000 1.177 700 A CA 2.118 53.513 52.037 -1.071 0.000 0.636 700 A CB -0.959 17.503 19.000 -0.898 0.000 0.815 700 A HN 0.615 nan 8.150 nan 0.000 0.449 701 E N -0.449 119.609 120.200 -0.237 0.000 2.023 701 E HA -0.242 4.098 4.350 -0.017 0.000 0.196 701 E C 1.893 178.469 176.600 -0.041 0.000 1.003 701 E CA 1.485 57.824 56.400 -0.101 0.000 0.809 701 E CB -0.163 29.494 29.700 -0.071 0.000 0.755 701 E HN 0.565 nan 8.360 nan 0.000 0.449 702 E N -0.113 120.098 120.200 0.018 0.000 2.110 702 E HA -0.155 4.185 4.350 -0.017 0.000 0.193 702 E C 1.734 178.372 176.600 0.063 0.000 0.988 702 E CA 1.137 57.569 56.400 0.053 0.000 0.804 702 E CB -0.194 29.591 29.700 0.142 0.000 0.745 702 E HN 0.355 nan 8.360 nan 0.000 0.458 703 A N 0.206 123.079 122.820 0.089 0.000 2.132 703 A HA 0.367 4.677 4.320 -0.017 0.000 0.213 703 A C 1.020 178.641 177.584 0.061 0.000 1.154 703 A CA 0.984 53.087 52.037 0.110 0.000 0.753 703 A CB 0.082 19.221 19.000 0.231 0.000 0.826 703 A HN 0.235 nan 8.150 nan 0.000 0.469 704 G N -0.422 108.389 108.800 0.018 0.000 3.055 704 G HA2 -0.114 3.836 3.960 -0.017 0.000 0.686 704 G HA3 -0.114 3.836 3.960 -0.017 0.000 0.686 704 G C 0.186 175.078 174.900 -0.014 0.000 1.087 704 G CA 0.124 45.218 45.100 -0.010 0.000 0.779 704 G HN 0.160 nan 8.290 nan 0.000 0.599 705 E N 0.968 121.137 120.200 -0.052 0.000 2.171 705 E HA -0.191 4.149 4.350 -0.017 0.000 0.197 705 E C 2.154 178.725 176.600 -0.048 0.000 0.997 705 E CA 2.107 58.472 56.400 -0.059 0.000 0.810 705 E CB 0.091 29.753 29.700 -0.064 0.000 0.738 705 E HN 0.848 nan 8.360 nan 0.000 0.467 706 E N 0.060 120.226 120.200 -0.057 0.000 2.347 706 E HA -0.066 4.274 4.350 -0.017 0.000 0.196 706 E C 1.190 177.684 176.600 -0.177 0.000 1.008 706 E CA 0.655 56.998 56.400 -0.094 0.000 0.852 706 E CB -0.081 29.587 29.700 -0.054 0.000 0.783 706 E HN 0.116 nan 8.360 nan 0.000 0.505 707 N N -0.162 118.466 118.700 -0.121 0.000 2.313 707 N HA 0.153 4.883 4.740 -0.017 0.000 0.207 707 N C -1.024 174.349 175.510 -0.229 0.000 1.141 707 N CA 0.231 53.181 53.050 -0.167 0.000 0.830 707 N CB 0.270 38.727 38.487 -0.050 0.000 1.008 707 N HN 0.049 nan 8.380 nan 0.000 0.481 708 F N -0.664 118.979 119.950 -0.512 0.000 2.613 708 F HA 0.397 4.914 4.527 -0.018 0.000 0.314 708 F C -0.786 174.585 175.800 -0.714 0.000 1.075 708 F CA -1.068 56.638 58.000 -0.490 0.000 0.945 708 F CB 1.380 40.242 39.000 -0.230 0.000 1.310 708 F HN -0.231 nan 8.300 nan 0.000 0.467 709 F N 4.511 124.498 119.950 0.061 0.000 2.344 709 F HA 0.432 4.948 4.527 -0.017 0.000 0.344 709 F C 0.047 175.985 175.800 0.231 0.000 1.140 709 F CA -0.556 57.493 58.000 0.081 0.000 1.256 709 F CB -0.099 38.886 39.000 -0.026 0.000 1.573 709 F HN 0.036 nan 8.300 nan 0.000 0.547 710 I N 3.050 123.803 120.570 0.305 0.000 2.662 710 I HA 0.430 4.590 4.170 -0.017 0.000 0.291 710 I C -0.197 176.142 176.117 0.371 0.000 1.046 710 I CA -0.509 60.956 61.300 0.275 0.000 1.361 710 I CB 1.023 39.090 38.000 0.111 0.000 1.429 710 I HN 0.401 nan 8.210 nan 0.000 0.558 711 F N 1.903 121.911 119.950 0.097 0.000 2.842 711 F HA 0.715 5.232 4.527 -0.017 0.000 0.319 711 F C -0.263 175.585 175.800 0.080 0.000 1.159 711 F CA -0.226 57.827 58.000 0.089 0.000 0.902 711 F CB 0.515 39.582 39.000 0.112 0.000 1.311 711 F HN 0.859 nan 8.300 nan 0.000 0.453 712 G N 1.276 110.152 108.800 0.126 0.000 2.782 712 G HA2 0.040 3.990 3.960 -0.017 0.000 0.228 712 G HA3 0.040 3.990 3.960 -0.017 0.000 0.228 712 G C -0.546 174.327 174.900 -0.044 0.000 1.372 712 G CA -0.490 44.615 45.100 0.008 0.000 0.862 712 G HN 1.389 nan 8.290 nan 0.000 0.547 713 M N 0.317 119.903 119.600 -0.023 0.000 2.245 713 M HA 0.535 5.004 4.480 -0.017 0.000 0.330 713 M C 0.995 177.260 176.300 -0.059 0.000 1.098 713 M CA -0.115 55.177 55.300 -0.013 0.000 1.172 713 M CB 0.299 32.909 32.600 0.017 0.000 1.467 713 M HN 0.678 nan 8.290 nan 0.000 0.454 714 R N 1.632 122.111 120.500 -0.036 0.000 2.606 714 R HA 0.430 4.760 4.340 -0.017 0.000 0.249 714 R C 1.501 177.782 176.300 -0.032 0.000 1.127 714 R CA -0.435 55.637 56.100 -0.046 0.000 1.133 714 R CB -0.028 30.249 30.300 -0.039 0.000 1.243 714 R HN 0.775 nan 8.270 nan 0.000 0.558 715 V N -1.401 118.493 119.914 -0.033 0.000 2.252 715 V HA -0.279 3.831 4.120 -0.017 0.000 0.249 715 V C 2.144 178.228 176.094 -0.017 0.000 1.056 715 V CA 2.243 64.528 62.300 -0.026 0.000 1.022 715 V CB -0.828 30.978 31.823 -0.028 0.000 0.641 715 V HN 0.878 nan 8.190 nan 0.000 0.445 716 E N 0.381 120.572 120.200 -0.015 0.000 2.118 716 E HA -0.312 4.028 4.350 -0.017 0.000 0.195 716 E C 1.898 178.501 176.600 0.005 0.000 0.992 716 E CA 1.980 58.376 56.400 -0.007 0.000 0.804 716 E CB -0.209 29.488 29.700 -0.006 0.000 0.741 716 E HN 0.755 nan 8.360 nan 0.000 0.458 717 D N 0.041 120.445 120.400 0.007 0.000 2.084 717 D HA -0.146 4.484 4.640 -0.017 0.000 0.194 717 D C 2.087 178.404 176.300 0.029 0.000 0.990 717 D CA 1.024 55.039 54.000 0.025 0.000 0.826 717 D CB -0.473 40.344 40.800 0.028 0.000 0.971 717 D HN 0.065 nan 8.370 nan 0.000 0.453 718 V N 1.308 121.227 119.914 0.009 0.000 2.252 718 V HA -0.268 3.842 4.120 -0.017 0.000 0.249 718 V C 1.891 177.989 176.094 0.005 0.000 1.056 718 V CA 2.017 64.316 62.300 -0.001 0.000 1.022 718 V CB -0.471 31.339 31.823 -0.022 0.000 0.641 718 V HN 0.085 nan 8.190 nan 0.000 0.445 719 D N -0.746 119.654 120.400 0.000 0.000 2.149 719 D HA -0.169 4.461 4.640 -0.017 0.000 0.198 719 D C 2.393 178.703 176.300 0.017 0.000 0.990 719 D CA 1.169 55.170 54.000 0.001 0.000 0.839 719 D CB -0.245 40.552 40.800 -0.005 0.000 0.948 719 D HN 0.279 nan 8.370 nan 0.000 0.460 720 R N -0.495 120.021 120.500 0.027 0.000 2.193 720 R HA -0.018 4.312 4.340 -0.017 0.000 0.213 720 R C 1.822 178.158 176.300 0.060 0.000 1.055 720 R CA 0.273 56.396 56.100 0.038 0.000 0.995 720 R CB -0.011 30.312 30.300 0.038 0.000 0.893 720 R HN 0.128 nan 8.270 nan 0.000 0.459 721 L N 0.540 121.809 121.223 0.077 0.000 2.162 721 L HA -0.016 4.314 4.340 -0.017 0.000 0.205 721 L C 1.341 178.285 176.870 0.122 0.000 1.086 721 L CA 1.783 56.699 54.840 0.126 0.000 0.778 721 L CB -0.228 41.931 42.059 0.167 0.000 0.928 721 L HN 0.014 nan 8.230 nan 0.000 0.446 722 D N -0.755 119.691 120.400 0.076 0.000 2.144 722 D HA -0.180 4.450 4.640 -0.017 0.000 0.200 722 D C 2.016 178.347 176.300 0.053 0.000 0.978 722 D CA 0.991 55.025 54.000 0.058 0.000 0.833 722 D CB 0.182 40.990 40.800 0.013 0.000 0.961 722 D HN 0.519 nan 8.370 nan 0.000 0.470 723 Q N 0.409 120.236 119.800 0.044 0.000 2.050 723 Q HA -0.119 4.211 4.340 -0.017 0.000 0.202 723 Q C 2.334 178.360 176.000 0.044 0.000 0.980 723 Q CA 0.919 56.743 55.803 0.036 0.000 0.840 723 Q CB -0.059 28.695 28.738 0.027 0.000 0.898 723 Q HN 0.299 nan 8.270 nan 0.000 0.424 724 R N -0.051 120.483 120.500 0.057 0.000 2.080 724 R HA -0.052 4.278 4.340 -0.017 0.000 0.236 724 R C 0.813 177.149 176.300 0.061 0.000 1.137 724 R CA 1.161 57.296 56.100 0.058 0.000 0.943 724 R CB -0.349 29.996 30.300 0.076 0.000 0.846 724 R HN 0.339 nan 8.270 nan 0.000 0.431 725 G N 0.092 108.945 108.800 0.089 0.000 3.187 725 G HA2 -0.181 3.768 3.960 -0.017 0.000 0.682 725 G HA3 -0.181 3.768 3.960 -0.017 0.000 0.682 725 G C -1.447 173.537 174.900 0.140 0.000 1.266 725 G CA -0.682 44.477 45.100 0.098 0.000 0.902 725 G HN 0.310 nan 8.290 nan 0.000 0.589 726 Y N 3.459 123.790 120.300 0.052 0.000 2.359 726 Y HA 0.596 5.136 4.550 -0.017 0.000 0.334 726 Y C 0.440 176.399 175.900 0.098 0.000 1.058 726 Y CA -0.422 57.727 58.100 0.083 0.000 1.244 726 Y CB 1.019 39.508 38.460 0.047 0.000 1.187 726 Y HN 0.566 nan 8.280 nan 0.000 0.510 727 N N 5.207 123.561 118.700 -0.577 0.000 2.623 727 N HA 0.288 5.018 4.740 -0.017 0.000 0.256 727 N C 0.101 175.364 175.510 -0.412 0.000 1.045 727 N CA 0.220 53.025 53.050 -0.409 0.000 0.863 727 N CB 1.325 39.722 38.487 -0.151 0.000 1.182 727 N HN 0.929 nan 8.380 nan 0.000 0.523 728 A N 2.699 125.224 122.820 -0.492 0.000 2.024 728 A HA -0.213 4.097 4.320 -0.017 0.000 0.220 728 A C 1.947 179.735 177.584 0.340 0.000 1.164 728 A CA 1.309 53.359 52.037 0.022 0.000 0.643 728 A CB -0.290 18.592 19.000 -0.198 0.000 0.806 728 A HN 0.747 nan 8.150 nan 0.000 0.451 729 Q N 0.115 119.976 119.800 0.102 0.000 2.197 729 Q HA -0.233 4.097 4.340 -0.017 0.000 0.207 729 Q C 1.829 177.918 176.000 0.150 0.000 0.984 729 Q CA 2.179 58.052 55.803 0.116 0.000 0.869 729 Q CB -0.307 28.443 28.738 0.021 0.000 0.906 729 Q HN 0.804 nan 8.270 nan 0.000 0.426 730 E N -1.603 118.624 120.200 0.045 0.000 2.106 730 E HA -0.208 4.132 4.350 -0.017 0.000 0.192 730 E C 1.260 177.745 176.600 -0.193 0.000 0.984 730 E CA 1.236 57.557 56.400 -0.131 0.000 0.806 730 E CB -0.169 29.332 29.700 -0.331 0.000 0.750 730 E HN 0.554 nan 8.360 nan 0.000 0.458 731 Y N -1.051 119.328 120.300 0.131 0.000 2.184 731 Y HA -0.155 4.385 4.550 -0.017 0.000 0.290 731 Y C 2.171 178.063 175.900 -0.014 0.000 1.129 731 Y CA 1.538 59.693 58.100 0.092 0.000 1.144 731 Y CB -0.874 37.713 38.460 0.211 0.000 0.995 731 Y HN 0.187 nan 8.280 nan 0.000 0.513 732 Y N 1.253 121.598 120.300 0.074 0.000 2.114 732 Y HA -0.313 4.227 4.550 -0.017 0.000 0.282 732 Y C 1.985 177.855 175.900 -0.050 0.000 1.165 732 Y CA 2.005 60.059 58.100 -0.077 0.000 1.148 732 Y CB -0.561 37.932 38.460 0.055 0.000 0.972 732 Y HN 0.082 nan 8.280 nan 0.000 0.504 733 D N -0.460 120.072 120.400 0.220 0.000 2.117 733 D HA -0.113 4.517 4.640 -0.017 0.000 0.198 733 D C 2.011 178.300 176.300 -0.018 0.000 0.982 733 D CA 1.386 55.452 54.000 0.110 0.000 0.828 733 D CB -0.083 40.787 40.800 0.117 0.000 0.967 733 D HN 0.412 nan 8.370 nan 0.000 0.464 734 R N -0.363 120.115 120.500 -0.037 0.000 2.280 734 R HA 0.226 4.556 4.340 -0.017 0.000 0.195 734 R C 0.227 176.501 176.300 -0.043 0.000 0.935 734 R CA 0.243 56.315 56.100 -0.048 0.000 1.033 734 R CB 0.864 31.126 30.300 -0.064 0.000 0.964 734 R HN 0.209 nan 8.270 nan 0.000 0.489 735 I N 1.414 121.939 120.570 -0.075 0.000 2.420 735 I HA 0.232 4.392 4.170 -0.017 0.000 0.282 735 I C -2.045 173.973 176.117 -0.165 0.000 1.019 735 I CA -2.546 58.711 61.300 -0.071 0.000 1.130 735 I CB 2.082 40.087 38.000 0.008 0.000 1.262 735 I HN -0.323 nan 8.210 nan 0.000 0.454 736 P HA -0.208 nan 4.420 nan 0.000 0.214 736 P C 1.273 178.478 177.300 -0.158 0.000 1.163 736 P CA 1.521 64.532 63.100 -0.148 0.000 0.889 736 P CB 0.145 31.791 31.700 -0.090 0.000 0.790 737 E N 0.003 120.155 120.200 -0.080 0.000 2.065 737 E HA -0.223 4.117 4.350 -0.017 0.000 0.201 737 E C 2.236 178.748 176.600 -0.147 0.000 1.016 737 E CA 1.154 57.527 56.400 -0.045 0.000 0.818 737 E CB -1.494 28.260 29.700 0.091 0.000 0.749 737 E HN 0.265 nan 8.360 nan 0.000 0.453 738 L N 1.293 122.341 121.223 -0.291 0.000 1.989 738 L HA -0.240 4.090 4.340 -0.017 0.000 0.211 738 L C 3.122 179.705 176.870 -0.479 0.000 1.071 738 L CA 2.119 56.597 54.840 -0.604 0.000 0.749 738 L CB -0.233 41.308 42.059 -0.863 0.000 0.890 738 L HN 0.089 nan 8.230 nan 0.000 0.431 739 R N 0.011 120.196 120.500 -0.525 0.000 2.103 739 R HA -0.283 4.047 4.340 -0.017 0.000 0.242 739 R C 2.286 178.373 176.300 -0.355 0.000 1.142 739 R CA 2.209 57.886 56.100 -0.705 0.000 0.960 739 R CB -0.681 29.099 30.300 -0.865 0.000 0.858 739 R HN 0.717 nan 8.270 nan 0.000 0.439 740 Q N 0.431 120.087 119.800 -0.240 0.000 2.167 740 Q HA -0.146 4.184 4.340 -0.017 0.000 0.202 740 Q C 2.062 178.010 176.000 -0.087 0.000 0.970 740 Q CA 1.703 57.420 55.803 -0.143 0.000 0.855 740 Q CB -0.286 28.372 28.738 -0.132 0.000 0.911 740 Q HN 0.559 nan 8.270 nan 0.000 0.438 741 I N 0.802 121.317 120.570 -0.092 0.000 2.315 741 I HA -0.235 3.925 4.170 -0.017 0.000 0.248 741 I C 2.159 178.310 176.117 0.056 0.000 1.117 741 I CA 0.540 61.836 61.300 -0.007 0.000 1.404 741 I CB -0.275 37.688 38.000 -0.062 0.000 1.071 741 I HN 0.241 nan 8.210 nan 0.000 0.419 742 I N 0.630 121.217 120.570 0.030 0.000 2.090 742 I HA -0.245 3.915 4.170 -0.017 0.000 0.236 742 I C 2.599 178.813 176.117 0.162 0.000 1.064 742 I CA 1.586 62.974 61.300 0.146 0.000 1.324 742 I CB -1.498 36.677 38.000 0.292 0.000 1.044 742 I HN 0.241 nan 8.210 nan 0.000 0.399 743 E N 0.840 121.119 120.200 0.131 0.000 2.130 743 E HA -0.245 4.095 4.350 -0.017 0.000 0.196 743 E C 2.198 178.864 176.600 0.110 0.000 0.998 743 E CA 1.269 57.737 56.400 0.113 0.000 0.806 743 E CB -0.357 29.383 29.700 0.067 0.000 0.738 743 E HN 0.603 nan 8.360 nan 0.000 0.459 744 Q N -0.188 119.671 119.800 0.098 0.000 2.172 744 Q HA 0.004 4.334 4.340 -0.017 0.000 0.200 744 Q C 2.403 178.590 176.000 0.312 0.000 0.964 744 Q CA 0.601 56.488 55.803 0.140 0.000 0.855 744 Q CB 0.030 28.820 28.738 0.087 0.000 0.918 744 Q HN 0.248 nan 8.270 nan 0.000 0.444 745 L N -0.315 121.092 121.223 0.307 0.000 2.044 745 L HA -0.148 4.182 4.340 -0.017 0.000 0.205 745 L C 2.369 179.408 176.870 0.281 0.000 1.075 745 L CA 0.888 55.910 54.840 0.303 0.000 0.747 745 L CB -0.313 41.845 42.059 0.165 0.000 0.903 745 L HN 0.173 nan 8.230 nan 0.000 0.435 746 S N -0.242 115.589 115.700 0.219 0.000 2.370 746 S HA -0.148 4.312 4.470 -0.017 0.000 0.226 746 S C 1.905 176.604 174.600 0.164 0.000 1.033 746 S CA 1.707 60.017 58.200 0.182 0.000 1.011 746 S CB -0.053 63.239 63.200 0.152 0.000 0.852 746 S HN 0.486 nan 8.310 nan 0.000 0.457 747 S N -0.287 115.508 115.700 0.158 0.000 2.558 747 S HA 0.395 4.855 4.470 -0.017 0.000 0.217 747 S C 1.422 176.101 174.600 0.132 0.000 0.975 747 S CA 0.471 58.749 58.200 0.130 0.000 0.912 747 S CB 0.437 63.705 63.200 0.113 0.000 0.776 747 S HN 0.713 nan 8.310 nan 0.000 0.526 748 G N 0.895 109.795 108.800 0.167 0.000 2.159 748 G HA2 -0.305 3.645 3.960 -0.017 0.000 0.227 748 G HA3 -0.305 3.645 3.960 -0.017 0.000 0.227 748 G C 0.386 175.303 174.900 0.029 0.000 0.986 748 G CA 0.074 45.251 45.100 0.129 0.000 0.651 748 G HN 0.403 nan 8.290 nan 0.000 0.523 749 F N 1.104 120.988 119.950 -0.111 0.000 2.032 749 F HA -0.025 4.492 4.527 -0.017 0.000 0.297 749 F C 2.057 177.513 175.800 -0.572 0.000 1.125 749 F CA 2.670 60.415 58.000 -0.424 0.000 1.202 749 F CB -0.315 38.340 39.000 -0.575 0.000 0.958 749 F HN 0.161 nan 8.300 nan 0.000 0.491 750 F N -0.237 119.662 119.950 -0.084 0.000 2.731 750 F HA 0.194 4.711 4.527 -0.017 0.000 0.304 750 F C 0.778 176.593 175.800 0.025 0.000 1.133 750 F CA 0.439 58.349 58.000 -0.149 0.000 1.380 750 F CB -0.569 38.312 39.000 -0.198 0.000 1.079 750 F HN 0.036 nan 8.300 nan 0.000 0.550 751 S N -2.129 113.674 115.700 0.172 0.000 2.605 751 S HA 0.310 4.770 4.470 -0.017 0.000 0.142 751 S C -2.364 172.277 174.600 0.069 0.000 1.452 751 S CA -1.088 57.224 58.200 0.185 0.000 1.240 751 S CB 0.736 64.136 63.200 0.333 0.000 1.538 751 S HN -0.204 nan 8.310 nan 0.000 0.394 752 P HA -0.302 nan 4.420 nan 0.000 0.216 752 P C 1.716 179.018 177.300 0.003 0.000 1.167 752 P CA 2.084 65.166 63.100 -0.030 0.000 0.933 752 P CB -0.033 31.631 31.700 -0.059 0.000 0.793 753 K N -0.367 120.039 120.400 0.010 0.000 2.034 753 K HA -0.196 4.114 4.320 -0.017 0.000 0.214 753 K C 0.958 177.574 176.600 0.026 0.000 1.051 753 K CA 1.631 57.929 56.287 0.017 0.000 0.931 753 K CB -1.120 31.396 32.500 0.026 0.000 0.715 753 K HN 0.249 nan 8.250 nan 0.000 0.446 754 Q N 1.025 120.848 119.800 0.038 0.000 2.842 754 Q HA 0.190 4.520 4.340 -0.017 0.000 0.323 754 Q C -2.069 173.966 176.000 0.058 0.000 1.111 754 Q CA -1.903 53.924 55.803 0.040 0.000 1.047 754 Q CB 1.503 30.260 28.738 0.033 0.000 1.280 754 Q HN 0.035 nan 8.270 nan 0.000 0.475 755 P HA -0.317 nan 4.420 nan 0.000 0.224 755 P C 0.775 178.145 177.300 0.116 0.000 1.153 755 P CA 1.814 64.965 63.100 0.085 0.000 0.947 755 P CB 0.159 31.897 31.700 0.063 0.000 0.790 756 D N -1.104 119.348 120.400 0.086 0.000 2.324 756 D HA -0.049 4.581 4.640 -0.017 0.000 0.235 756 D C 1.742 178.080 176.300 0.063 0.000 1.095 756 D CA -0.120 53.934 54.000 0.090 0.000 0.871 756 D CB -0.851 39.992 40.800 0.072 0.000 0.906 756 D HN 0.038 nan 8.370 nan 0.000 0.522 757 L N -0.072 121.157 121.223 0.010 0.000 1.971 757 L HA -0.160 4.169 4.340 -0.017 0.000 0.215 757 L C 1.620 178.335 176.870 -0.257 0.000 1.072 757 L CA 1.774 56.502 54.840 -0.185 0.000 0.758 757 L CB -0.582 41.273 42.059 -0.340 0.000 0.889 757 L HN -0.023 nan 8.230 nan 0.000 0.433 758 F N -0.727 119.280 119.950 0.095 0.000 2.797 758 F HA 0.091 4.608 4.527 -0.017 0.000 0.302 758 F C 1.847 177.699 175.800 0.087 0.000 1.130 758 F CA 0.009 58.057 58.000 0.080 0.000 1.387 758 F CB -0.747 38.290 39.000 0.062 0.000 1.107 758 F HN -0.025 nan 8.300 nan 0.000 0.577 759 K N 0.317 120.847 120.400 0.217 0.000 2.589 759 K HA -0.204 4.106 4.320 -0.017 0.000 0.195 759 K C 0.890 177.578 176.600 0.148 0.000 1.042 759 K CA 1.247 57.634 56.287 0.167 0.000 0.940 759 K CB -0.246 32.331 32.500 0.128 0.000 0.776 759 K HN 0.298 nan 8.250 nan 0.000 0.487 760 D N 0.768 121.264 120.400 0.160 0.000 2.201 760 D HA 0.035 4.665 4.640 -0.017 0.000 0.209 760 D C 1.652 178.040 176.300 0.146 0.000 0.961 760 D CA 0.569 54.664 54.000 0.159 0.000 0.861 760 D CB 0.193 41.105 40.800 0.186 0.000 0.997 760 D HN 0.048 nan 8.370 nan 0.000 0.486 761 I N -0.162 120.502 120.570 0.156 0.000 2.394 761 I HA -0.185 3.975 4.170 -0.017 0.000 0.251 761 I C 2.089 178.256 176.117 0.084 0.000 1.136 761 I CA 0.353 61.727 61.300 0.122 0.000 1.425 761 I CB 0.035 38.124 38.000 0.148 0.000 1.079 761 I HN -0.045 nan 8.210 nan 0.000 0.425 762 V N 1.274 121.253 119.914 0.107 0.000 2.261 762 V HA -0.309 3.801 4.120 -0.017 0.000 0.246 762 V C 2.025 178.094 176.094 -0.041 0.000 1.047 762 V CA 2.350 64.689 62.300 0.064 0.000 1.015 762 V CB -1.084 30.802 31.823 0.105 0.000 0.642 762 V HN 0.501 nan 8.190 nan 0.000 0.446 763 N N 0.601 119.298 118.700 -0.005 0.000 2.060 763 N HA -0.313 4.417 4.740 -0.017 0.000 0.195 763 N C 1.931 177.303 175.510 -0.230 0.000 1.028 763 N CA 2.001 55.015 53.050 -0.060 0.000 0.861 763 N CB -0.364 38.180 38.487 0.094 0.000 1.029 763 N HN 0.586 nan 8.380 nan 0.000 0.428 764 M N 1.098 120.639 119.600 -0.097 0.000 2.067 764 M HA -0.067 4.403 4.480 -0.017 0.000 0.260 764 M C 1.804 178.021 176.300 -0.139 0.000 1.069 764 M CA 1.620 56.892 55.300 -0.046 0.000 1.117 764 M CB -0.860 31.825 32.600 0.141 0.000 1.334 764 M HN -0.043 nan 8.290 nan 0.000 0.407 765 L N 0.487 121.620 121.223 -0.150 0.000 1.990 765 L HA -0.179 4.151 4.340 -0.017 0.000 0.213 765 L C 2.612 179.178 176.870 -0.507 0.000 1.072 765 L CA 2.074 56.721 54.840 -0.322 0.000 0.755 765 L CB -1.328 40.627 42.059 -0.174 0.000 0.889 765 L HN 0.511 nan 8.230 nan 0.000 0.432 766 M N -1.792 117.552 119.600 -0.427 0.000 2.254 766 M HA -0.118 4.352 4.480 -0.017 0.000 0.265 766 M C 1.935 177.879 176.300 -0.593 0.000 1.066 766 M CA 1.444 56.431 55.300 -0.523 0.000 1.123 766 M CB -0.902 31.252 32.600 -0.743 0.000 1.388 766 M HN 0.364 nan 8.290 nan 0.000 0.425 767 H N -1.718 117.195 119.070 -0.262 0.000 2.927 767 H HA 0.189 4.735 4.556 -0.017 0.000 0.255 767 H C 0.195 175.408 175.328 -0.191 0.000 0.974 767 H CA 0.691 56.577 56.048 -0.270 0.000 1.199 767 H CB 0.198 29.740 29.762 -0.367 0.000 1.447 767 H HN 0.590 nan 8.280 nan 0.000 0.467 768 H N -0.835 118.293 119.070 0.096 0.000 2.901 768 H HA 0.228 4.774 4.556 -0.017 0.000 0.227 768 H C -0.915 174.428 175.328 0.025 0.000 1.390 768 H CA -0.596 55.495 56.048 0.072 0.000 1.120 768 H CB 0.141 29.951 29.762 0.079 0.000 2.131 768 H HN -0.079 nan 8.280 nan 0.000 0.549 769 D N 1.308 121.748 120.400 0.066 0.000 2.374 769 D HA 0.100 4.730 4.640 -0.017 0.000 0.240 769 D C 0.970 177.180 176.300 -0.149 0.000 1.229 769 D CA -0.252 53.741 54.000 -0.011 0.000 0.895 769 D CB 0.704 41.447 40.800 -0.095 0.000 1.046 769 D HN 0.352 nan 8.370 nan 0.000 0.498 770 R N 2.441 122.781 120.500 -0.267 0.000 2.235 770 R HA -0.015 4.315 4.340 -0.017 0.000 0.213 770 R C 0.679 176.356 176.300 -1.038 0.000 1.059 770 R CA 0.751 56.447 56.100 -0.673 0.000 0.997 770 R CB 0.105 29.811 30.300 -0.988 0.000 0.884 770 R HN 0.462 nan 8.270 nan 0.000 0.462 771 F N 0.303 120.191 119.950 -0.103 0.000 2.664 771 F HA 0.237 4.754 4.527 -0.017 0.000 0.303 771 F C 0.198 175.861 175.800 -0.228 0.000 1.092 771 F CA -0.489 57.441 58.000 -0.116 0.000 1.305 771 F CB 0.131 39.123 39.000 -0.014 0.000 1.054 771 F HN -0.283 nan 8.300 nan 0.000 0.565 772 K N 0.346 120.521 120.400 -0.376 0.000 3.730 772 K HA -0.179 4.130 4.320 -0.017 0.000 0.276 772 K C 0.994 177.477 176.600 -0.195 0.000 0.904 772 K CA -0.056 55.866 56.287 -0.609 0.000 0.741 772 K CB -1.286 30.859 32.500 -0.592 0.000 1.542 772 K HN 0.195 nan 8.250 nan 0.000 0.446 773 V N 0.704 120.573 119.914 -0.075 0.000 2.237 773 V HA -0.272 3.837 4.120 -0.017 0.000 0.245 773 V C 1.983 178.187 176.094 0.183 0.000 1.046 773 V CA 2.110 64.447 62.300 0.062 0.000 1.007 773 V CB -0.413 31.456 31.823 0.078 0.000 0.638 773 V HN 0.483 nan 8.190 nan 0.000 0.445 774 F N 0.948 120.874 119.950 -0.040 0.000 2.154 774 F HA -0.215 4.301 4.527 -0.017 0.000 0.301 774 F C 2.471 178.044 175.800 -0.379 0.000 1.087 774 F CA 1.121 59.035 58.000 -0.144 0.000 1.274 774 F CB -1.677 37.225 39.000 -0.162 0.000 1.009 774 F HN 0.188 nan 8.300 nan 0.000 0.485 775 A N -0.816 121.835 122.820 -0.282 0.000 2.070 775 A HA -0.143 4.167 4.320 -0.017 0.000 0.220 775 A C 1.465 179.090 177.584 0.069 0.000 1.159 775 A CA 1.787 53.654 52.037 -0.283 0.000 0.656 775 A CB -0.470 18.522 19.000 -0.014 0.000 0.800 775 A HN 0.235 nan 8.150 nan 0.000 0.453 776 D N -2.839 117.643 120.400 0.137 0.000 2.440 776 D HA 0.129 4.759 4.640 -0.017 0.000 0.216 776 D C 0.879 177.366 176.300 0.310 0.000 1.150 776 D CA -0.193 53.957 54.000 0.250 0.000 0.832 776 D CB -0.017 40.947 40.800 0.274 0.000 0.992 776 D HN 0.560 nan 8.370 nan 0.000 0.502 777 Y N 1.671 122.062 120.300 0.151 0.000 2.163 777 Y HA -0.097 4.443 4.550 -0.016 0.000 0.288 777 Y C 2.120 178.111 175.900 0.152 0.000 1.136 777 Y CA 1.695 59.885 58.100 0.150 0.000 1.147 777 Y CB 0.258 38.777 38.460 0.098 0.000 0.987 777 Y HN -0.117 nan 8.280 nan 0.000 0.509 778 E N 0.150 120.460 120.200 0.184 0.000 2.031 778 E HA -0.239 4.101 4.350 -0.017 0.000 0.193 778 E C 2.126 178.701 176.600 -0.041 0.000 0.994 778 E CA 1.588 58.001 56.400 0.022 0.000 0.800 778 E CB -0.108 29.698 29.700 0.176 0.000 0.752 778 E HN 0.632 nan 8.360 nan 0.000 0.447 779 E N -0.443 119.805 120.200 0.080 0.000 2.110 779 E HA -0.208 4.132 4.350 -0.017 0.000 0.193 779 E C 1.909 178.490 176.600 -0.032 0.000 0.988 779 E CA 0.858 57.320 56.400 0.102 0.000 0.804 779 E CB -0.168 29.697 29.700 0.275 0.000 0.745 779 E HN 0.319 nan 8.360 nan 0.000 0.458 780 Y N 1.329 121.459 120.300 -0.283 0.000 2.114 780 Y HA -0.242 4.298 4.550 -0.017 0.000 0.284 780 Y C 2.221 177.744 175.900 -0.628 0.000 1.143 780 Y CA 1.183 58.820 58.100 -0.770 0.000 1.135 780 Y CB -0.471 37.578 38.460 -0.685 0.000 0.980 780 Y HN -0.216 nan 8.280 nan 0.000 0.499 781 V N 0.674 120.248 119.914 -0.567 0.000 2.287 781 V HA -0.358 3.752 4.120 -0.017 0.000 0.248 781 V C 2.293 178.141 176.094 -0.410 0.000 1.053 781 V CA 2.444 64.422 62.300 -0.538 0.000 1.027 781 V CB -0.642 30.884 31.823 -0.494 0.000 0.646 781 V HN 0.331 nan 8.190 nan 0.000 0.447 782 K N -0.871 119.351 120.400 -0.297 0.000 1.985 782 K HA -0.220 4.090 4.320 -0.017 0.000 0.210 782 K C 2.309 178.788 176.600 -0.203 0.000 1.047 782 K CA 1.899 58.077 56.287 -0.182 0.000 0.932 782 K CB -0.784 31.661 32.500 -0.092 0.000 0.716 782 K HN 0.512 nan 8.250 nan 0.000 0.439 783 C N 1.593 120.754 119.300 -0.231 0.000 2.413 783 C HA -0.145 4.305 4.460 -0.017 0.000 0.277 783 C C 2.606 177.386 174.990 -0.349 0.000 1.265 783 C CA 0.995 59.895 59.018 -0.195 0.000 1.752 783 C CB -0.795 26.805 27.740 -0.233 0.000 1.998 783 C HN 0.430 nan 8.230 nan 0.000 0.489 784 Q N 0.121 119.579 119.800 -0.571 0.000 2.124 784 Q HA -0.203 4.127 4.340 -0.017 0.000 0.202 784 Q C 2.018 177.790 176.000 -0.379 0.000 0.977 784 Q CA 1.701 57.127 55.803 -0.629 0.000 0.850 784 Q CB -0.368 27.744 28.738 -1.043 0.000 0.901 784 Q HN 0.759 nan 8.270 nan 0.000 0.429 785 E N 0.537 120.569 120.200 -0.281 0.000 2.077 785 E HA -0.172 4.168 4.350 -0.017 0.000 0.193 785 E C 2.095 178.605 176.600 -0.150 0.000 0.989 785 E CA 0.761 57.062 56.400 -0.166 0.000 0.800 785 E CB -0.049 29.580 29.700 -0.117 0.000 0.746 785 E HN 0.222 nan 8.360 nan 0.000 0.452 786 R N 0.282 120.688 120.500 -0.158 0.000 2.127 786 R HA -0.130 4.200 4.340 -0.017 0.000 0.238 786 R C 2.351 178.498 176.300 -0.255 0.000 1.134 786 R CA 0.882 56.914 56.100 -0.114 0.000 0.975 786 R CB -0.237 30.058 30.300 -0.008 0.000 0.865 786 R HN 0.062 nan 8.270 nan 0.000 0.447 787 V N -0.035 119.611 119.914 -0.447 0.000 2.237 787 V HA -0.278 3.832 4.120 -0.017 0.000 0.245 787 V C 2.181 178.185 176.094 -0.150 0.000 1.046 787 V CA 2.028 63.997 62.300 -0.551 0.000 1.007 787 V CB -0.450 31.052 31.823 -0.535 0.000 0.638 787 V HN 0.302 nan 8.190 nan 0.000 0.445 788 S N -0.383 115.226 115.700 -0.153 0.000 2.374 788 S HA -0.243 4.217 4.470 -0.017 0.000 0.227 788 S C 2.180 176.786 174.600 0.010 0.000 1.037 788 S CA 1.583 59.735 58.200 -0.080 0.000 1.024 788 S CB -0.550 62.591 63.200 -0.098 0.000 0.861 788 S HN 0.659 nan 8.310 nan 0.000 0.456 789 A N 1.786 124.605 122.820 -0.002 0.000 1.859 789 A HA -0.109 4.201 4.320 -0.017 0.000 0.217 789 A C 2.088 179.734 177.584 0.103 0.000 1.198 789 A CA 1.530 53.594 52.037 0.045 0.000 0.629 789 A CB -0.974 18.048 19.000 0.036 0.000 0.830 789 A HN 0.447 nan 8.150 nan 0.000 0.446 790 L N -1.633 119.691 121.223 0.168 0.000 2.079 790 L HA -0.173 4.157 4.340 -0.017 0.000 0.210 790 L C 2.233 179.334 176.870 0.385 0.000 1.081 790 L CA 2.204 57.251 54.840 0.344 0.000 0.752 790 L CB -1.479 40.879 42.059 0.499 0.000 0.896 790 L HN 0.576 nan 8.230 nan 0.000 0.433 791 Y N 1.274 121.565 120.300 -0.015 0.000 2.333 791 Y HA -0.218 4.322 4.550 -0.016 0.000 0.290 791 Y C 2.308 178.075 175.900 -0.222 0.000 1.144 791 Y CA 1.590 59.396 58.100 -0.490 0.000 1.228 791 Y CB -0.040 37.967 38.460 -0.755 0.000 0.985 791 Y HN 0.310 nan 8.280 nan 0.000 0.542 792 K N -0.347 120.046 120.400 -0.013 0.000 2.515 792 K HA -0.118 4.192 4.320 -0.017 0.000 0.196 792 K C 0.270 176.828 176.600 -0.070 0.000 1.038 792 K CA 0.914 57.184 56.287 -0.028 0.000 0.967 792 K CB -0.261 32.265 32.500 0.042 0.000 0.780 792 K HN 0.122 nan 8.250 nan 0.000 0.483 793 N N 0.862 119.529 118.700 -0.054 0.000 2.804 793 N HA 0.186 4.916 4.740 -0.017 0.000 0.251 793 N C -2.424 173.067 175.510 -0.032 0.000 1.250 793 N CA -2.475 50.559 53.050 -0.027 0.000 0.820 793 N CB 1.414 39.918 38.487 0.029 0.000 1.156 793 N HN -0.277 nan 8.380 nan 0.000 0.512 794 P HA -0.234 nan 4.420 nan 0.000 0.218 794 P C 1.301 178.588 177.300 -0.022 0.000 1.165 794 P CA 1.471 64.484 63.100 -0.145 0.000 0.922 794 P CB 0.288 31.892 31.700 -0.159 0.000 0.794 795 R N -0.593 119.899 120.500 -0.012 0.000 2.127 795 R HA -0.140 4.190 4.340 -0.017 0.000 0.238 795 R C 1.976 178.306 176.300 0.050 0.000 1.134 795 R CA 1.181 57.290 56.100 0.015 0.000 0.975 795 R CB -0.484 29.820 30.300 0.008 0.000 0.865 795 R HN 0.334 nan 8.270 nan 0.000 0.447 796 E N -1.230 119.014 120.200 0.073 0.000 2.170 796 E HA -0.157 4.183 4.350 -0.017 0.000 0.191 796 E C 1.646 178.343 176.600 0.163 0.000 0.981 796 E CA 0.471 56.931 56.400 0.101 0.000 0.830 796 E CB -0.159 29.594 29.700 0.088 0.000 0.775 796 E HN 0.347 nan 8.360 nan 0.000 0.470 797 W N 2.072 123.365 121.300 -0.012 0.000 2.388 797 W HA -0.124 4.525 4.660 -0.018 0.000 0.294 797 W C 2.248 178.769 176.519 0.003 0.000 1.212 797 W CA 2.031 59.388 57.345 0.020 0.000 1.271 797 W CB -0.172 29.296 29.460 0.015 0.000 1.126 797 W HN -0.028 nan 8.180 nan 0.000 0.535 798 T N -0.152 114.527 114.554 0.209 0.000 2.867 798 T HA -0.150 4.190 4.350 -0.017 0.000 0.268 798 T C 1.674 176.384 174.700 0.017 0.000 1.057 798 T CA 1.380 63.533 62.100 0.088 0.000 1.136 798 T CB -0.203 68.687 68.868 0.036 0.000 0.874 798 T HN 0.117 nan 8.240 nan 0.000 0.466 799 R N 0.516 121.031 120.500 0.025 0.000 2.092 799 R HA 0.109 4.439 4.340 -0.017 0.000 0.231 799 R C 2.489 178.780 176.300 -0.016 0.000 1.119 799 R CA 1.155 57.263 56.100 0.013 0.000 0.970 799 R CB -0.341 29.976 30.300 0.027 0.000 0.864 799 R HN 0.341 nan 8.270 nan 0.000 0.440 800 M N 0.308 119.879 119.600 -0.049 0.000 2.086 800 M HA -0.167 4.303 4.480 -0.017 0.000 0.261 800 M C 2.051 178.266 176.300 -0.141 0.000 1.067 800 M CA 1.501 56.733 55.300 -0.113 0.000 1.116 800 M CB 0.045 32.531 32.600 -0.190 0.000 1.348 800 M HN 0.015 nan 8.290 nan 0.000 0.407 801 V N 0.838 120.656 119.914 -0.161 0.000 2.324 801 V HA -0.323 3.787 4.120 -0.017 0.000 0.250 801 V C 2.161 178.209 176.094 -0.076 0.000 1.060 801 V CA 2.045 64.258 62.300 -0.145 0.000 1.042 801 V CB -0.568 31.209 31.823 -0.078 0.000 0.650 801 V HN 0.497 nan 8.190 nan 0.000 0.450 802 I N -0.860 119.679 120.570 -0.053 0.000 2.286 802 I HA -0.229 3.931 4.170 -0.017 0.000 0.248 802 I C 2.639 178.767 176.117 0.017 0.000 1.115 802 I CA 1.437 62.728 61.300 -0.016 0.000 1.392 802 I CB -0.413 37.596 38.000 0.015 0.000 1.065 802 I HN 0.176 nan 8.210 nan 0.000 0.418 803 R N 0.438 120.937 120.500 -0.001 0.000 2.189 803 R HA -0.080 4.250 4.340 -0.017 0.000 0.223 803 R C 1.858 178.173 176.300 0.024 0.000 1.092 803 R CA 0.906 57.014 56.100 0.015 0.000 0.989 803 R CB -0.384 29.913 30.300 -0.005 0.000 0.876 803 R HN 0.563 nan 8.270 nan 0.000 0.457 804 N N 0.515 119.210 118.700 -0.007 0.000 2.148 804 N HA -0.055 4.675 4.740 -0.017 0.000 0.186 804 N C 2.010 177.551 175.510 0.051 0.000 1.031 804 N CA 0.867 53.926 53.050 0.016 0.000 0.848 804 N CB -0.037 38.405 38.487 -0.075 0.000 1.005 804 N HN 0.071 nan 8.380 nan 0.000 0.427 805 I N 1.991 122.576 120.570 0.025 0.000 2.118 805 I HA -0.300 3.860 4.170 -0.017 0.000 0.241 805 I C 2.573 178.725 176.117 0.059 0.000 1.070 805 I CA 1.212 62.537 61.300 0.042 0.000 1.327 805 I CB -0.393 37.617 38.000 0.018 0.000 1.034 805 I HN 0.097 nan 8.210 nan 0.000 0.405 806 A N -0.666 122.189 122.820 0.058 0.000 1.958 806 A HA -0.259 4.051 4.320 -0.017 0.000 0.221 806 A C 2.236 179.858 177.584 0.063 0.000 1.178 806 A CA 2.584 54.658 52.037 0.062 0.000 0.642 806 A CB -1.024 18.020 19.000 0.073 0.000 0.816 806 A HN 0.420 nan 8.150 nan 0.000 0.453 807 T N -0.243 114.359 114.554 0.081 0.000 3.235 807 T HA 0.159 4.499 4.350 -0.017 0.000 0.251 807 T C 1.506 176.301 174.700 0.158 0.000 1.060 807 T CA 0.710 62.869 62.100 0.099 0.000 0.949 807 T CB -0.324 68.606 68.868 0.104 0.000 1.020 807 T HN 0.703 nan 8.240 nan 0.000 0.564 808 S N -0.732 115.069 115.700 0.168 0.000 2.524 808 S HA 0.151 4.611 4.470 -0.017 0.000 0.216 808 S C 2.389 177.108 174.600 0.198 0.000 0.987 808 S CA 0.345 58.715 58.200 0.285 0.000 0.909 808 S CB -0.261 63.104 63.200 0.275 0.000 0.781 808 S HN 0.428 nan 8.310 nan 0.000 0.521 809 G N 3.003 111.848 108.800 0.076 0.000 2.550 809 G HA2 -0.349 3.600 3.960 -0.017 0.000 0.222 809 G HA3 -0.349 3.600 3.960 -0.017 0.000 0.222 809 G C 1.330 176.178 174.900 -0.086 0.000 1.113 809 G CA 1.274 46.387 45.100 0.022 0.000 0.748 809 G HN 0.670 nan 8.290 nan 0.000 0.585 810 K N -0.204 120.024 120.400 -0.286 0.000 2.280 810 K HA -0.004 4.306 4.320 -0.017 0.000 0.202 810 K C 1.325 177.568 176.600 -0.595 0.000 1.047 810 K CA 0.794 56.770 56.287 -0.519 0.000 0.942 810 K CB -0.288 31.725 32.500 -0.812 0.000 0.739 810 K HN 0.322 nan 8.250 nan 0.000 0.457 811 F N 1.363 121.340 119.950 0.045 0.000 2.731 811 F HA 0.150 4.667 4.527 -0.017 0.000 0.304 811 F C 0.910 176.749 175.800 0.065 0.000 1.133 811 F CA -0.273 57.759 58.000 0.054 0.000 1.380 811 F CB -0.129 38.903 39.000 0.053 0.000 1.079 811 F HN -0.057 nan 8.300 nan 0.000 0.550 812 S N -0.033 115.737 115.700 0.118 0.000 2.584 812 S HA 0.128 4.588 4.470 -0.017 0.000 0.273 812 S C 1.443 176.108 174.600 0.109 0.000 1.311 812 S CA -0.148 58.123 58.200 0.119 0.000 1.034 812 S CB 1.070 64.314 63.200 0.074 0.000 0.939 812 S HN 0.265 nan 8.310 nan 0.000 0.513 813 S N 2.739 118.521 115.700 0.136 0.000 2.469 813 S HA -0.092 4.368 4.470 -0.017 0.000 0.238 813 S C 0.920 175.540 174.600 0.032 0.000 0.998 813 S CA 0.870 59.149 58.200 0.131 0.000 0.957 813 S CB -0.496 62.834 63.200 0.217 0.000 0.764 813 S HN 0.807 nan 8.310 nan 0.000 0.514 814 D N 2.020 122.436 120.400 0.026 0.000 2.117 814 D HA -0.101 4.529 4.640 -0.017 0.000 0.198 814 D C 2.100 178.391 176.300 -0.015 0.000 0.982 814 D CA 0.954 54.955 54.000 0.000 0.000 0.828 814 D CB -0.368 40.434 40.800 0.005 0.000 0.967 814 D HN 0.405 nan 8.370 nan 0.000 0.464 815 R N 0.982 121.474 120.500 -0.013 0.000 2.075 815 R HA -0.097 4.233 4.340 -0.017 0.000 0.232 815 R C 1.685 177.961 176.300 -0.039 0.000 1.126 815 R CA 1.461 57.540 56.100 -0.034 0.000 0.963 815 R CB -0.701 29.566 30.300 -0.055 0.000 0.858 815 R HN 0.085 nan 8.270 nan 0.000 0.435 816 T N 1.773 116.317 114.554 -0.017 0.000 2.652 816 T HA -0.161 4.179 4.350 -0.017 0.000 0.267 816 T C 1.982 176.674 174.700 -0.014 0.000 1.039 816 T CA 1.747 63.850 62.100 0.005 0.000 1.153 816 T CB -0.244 68.668 68.868 0.074 0.000 0.863 816 T HN 0.139 nan 8.240 nan 0.000 0.428 817 I N 1.398 121.889 120.570 -0.132 0.000 2.226 817 I HA -0.104 4.056 4.170 -0.017 0.000 0.245 817 I C 2.704 178.779 176.117 -0.071 0.000 1.100 817 I CA 1.028 62.226 61.300 -0.170 0.000 1.374 817 I CB -0.643 37.238 38.000 -0.198 0.000 1.057 817 I HN 0.209 nan 8.210 nan 0.000 0.413 818 A N -0.371 122.421 122.820 -0.046 0.000 1.917 818 A HA -0.321 3.989 4.320 -0.017 0.000 0.219 818 A C 2.220 179.760 177.584 -0.074 0.000 1.182 818 A CA 2.016 54.032 52.037 -0.035 0.000 0.633 818 A CB -0.726 18.259 19.000 -0.026 0.000 0.819 818 A HN 0.560 nan 8.150 nan 0.000 0.448 819 Q N -1.813 117.924 119.800 -0.104 0.000 2.020 819 Q HA -0.207 4.122 4.340 -0.017 0.000 0.202 819 Q C 2.035 177.867 176.000 -0.280 0.000 0.982 819 Q CA 1.858 57.557 55.803 -0.173 0.000 0.838 819 Q CB -0.402 28.217 28.738 -0.199 0.000 0.899 819 Q HN 0.803 nan 8.270 nan 0.000 0.423 820 Y N 0.786 120.806 120.300 -0.466 0.000 2.114 820 Y HA -0.320 4.220 4.550 -0.017 0.000 0.282 820 Y C 2.536 177.884 175.900 -0.920 0.000 1.165 820 Y CA 1.302 58.885 58.100 -0.861 0.000 1.148 820 Y CB -0.623 37.023 38.460 -1.357 0.000 0.972 820 Y HN 0.179 nan 8.280 nan 0.000 0.504 821 A N 0.487 123.076 122.820 -0.385 0.000 1.869 821 A HA -0.298 4.012 4.320 -0.017 0.000 0.218 821 A C 2.263 179.857 177.584 0.016 0.000 1.203 821 A CA 2.494 54.541 52.037 0.018 0.000 0.638 821 A CB -0.749 18.338 19.000 0.145 0.000 0.831 821 A HN 0.477 nan 8.150 nan 0.000 0.450 822 R N -0.499 119.975 120.500 -0.044 0.000 2.090 822 R HA -0.072 4.258 4.340 -0.017 0.000 0.228 822 R C 1.657 177.933 176.300 -0.039 0.000 1.110 822 R CA 1.512 57.598 56.100 -0.023 0.000 0.973 822 R CB -0.239 30.043 30.300 -0.029 0.000 0.869 822 R HN 0.722 nan 8.270 nan 0.000 0.440 823 E N -0.489 119.644 120.200 -0.111 0.000 2.474 823 E HA 0.123 4.463 4.350 -0.017 0.000 0.195 823 E C 1.197 177.752 176.600 -0.075 0.000 1.039 823 E CA 0.316 56.661 56.400 -0.092 0.000 0.881 823 E CB 0.574 30.197 29.700 -0.128 0.000 0.970 823 E HN 0.344 nan 8.360 nan 0.000 0.486 824 I N -1.425 119.082 120.570 -0.106 0.000 4.399 824 I HA 0.049 4.209 4.170 -0.017 0.000 0.301 824 I C 1.154 177.439 176.117 0.279 0.000 1.198 824 I CA -0.120 61.186 61.300 0.010 0.000 1.315 824 I CB 0.255 38.110 38.000 -0.242 0.000 1.452 824 I HN 0.093 nan 8.210 nan 0.000 0.457 825 W N 1.763 123.166 121.300 0.171 0.000 2.576 825 W HA 0.342 4.992 4.660 -0.017 0.000 0.270 825 W C 1.622 178.187 176.519 0.076 0.000 1.255 825 W CA 0.865 58.290 57.345 0.134 0.000 1.314 825 W CB -1.059 28.472 29.460 0.118 0.000 1.101 825 W HN 0.302 nan 8.180 nan 0.000 0.595 826 G N 1.011 109.959 108.800 0.246 0.000 2.246 826 G HA2 -0.158 3.792 3.960 -0.017 0.000 0.273 826 G HA3 -0.158 3.792 3.960 -0.017 0.000 0.273 826 G C -0.216 174.761 174.900 0.128 0.000 1.055 826 G CA 0.302 45.486 45.100 0.140 0.000 0.851 826 G HN 0.147 nan 8.290 nan 0.000 0.500 827 V N -3.459 116.552 119.914 0.161 0.000 3.113 827 V HA 0.923 5.033 4.120 -0.017 0.000 0.316 827 V C -0.242 175.913 176.094 0.100 0.000 1.125 827 V CA -1.601 60.775 62.300 0.128 0.000 1.026 827 V CB 2.218 34.136 31.823 0.159 0.000 1.080 827 V HN 0.145 nan 8.190 nan 0.000 0.444 828 E N 2.383 122.628 120.200 0.075 0.000 2.185 828 E HA 0.465 4.805 4.350 -0.017 0.000 0.261 828 E C -2.659 173.976 176.600 0.058 0.000 0.879 828 E CA -1.655 54.780 56.400 0.057 0.000 0.756 828 E CB 2.039 31.764 29.700 0.041 0.000 1.152 828 E HN 0.634 nan 8.360 nan 0.000 0.416 829 P HA 0.080 nan 4.420 nan 0.000 0.269 829 P C -0.280 177.046 177.300 0.043 0.000 1.217 829 P CA -0.182 62.949 63.100 0.052 0.000 0.783 829 P CB 0.927 32.651 31.700 0.040 0.000 0.898 830 S N -0.335 115.390 115.700 0.042 0.000 2.569 830 S HA 0.382 4.842 4.470 -0.017 0.000 0.280 830 S C 0.516 175.135 174.600 0.032 0.000 1.111 830 S CA -0.695 57.528 58.200 0.038 0.000 0.887 830 S CB 1.768 64.996 63.200 0.045 0.000 1.095 830 S HN 0.557 nan 8.310 nan 0.000 0.476 831 R N 1.585 122.101 120.500 0.027 0.000 2.365 831 R HA 0.264 4.594 4.340 -0.017 0.000 0.223 831 R C 0.388 176.697 176.300 0.016 0.000 0.899 831 R CA -0.059 56.056 56.100 0.025 0.000 1.059 831 R CB 0.110 30.425 30.300 0.025 0.000 1.086 831 R HN 0.708 nan 8.270 nan 0.000 0.522 832 Q N 1.854 121.663 119.800 0.015 0.000 2.286 832 Q HA -0.040 4.290 4.340 -0.017 0.000 0.290 832 Q C -0.918 175.075 176.000 -0.012 0.000 1.049 832 Q CA 0.410 56.216 55.803 0.005 0.000 0.923 832 Q CB 0.642 29.389 28.738 0.015 0.000 1.183 832 Q HN 0.162 nan 8.270 nan 0.000 0.383 833 R N 3.626 124.111 120.500 -0.024 0.000 2.267 833 R HA 0.232 4.562 4.340 -0.017 0.000 0.319 833 R C -0.274 175.987 176.300 -0.065 0.000 1.067 833 R CA -0.415 55.659 56.100 -0.043 0.000 0.936 833 R CB 0.545 30.821 30.300 -0.041 0.000 1.006 833 R HN 0.632 nan 8.270 nan 0.000 0.452 834 L N 6.032 127.197 121.223 -0.096 0.000 2.485 834 L HA 0.066 4.396 4.340 -0.017 0.000 0.275 834 L C -1.119 175.694 176.870 -0.096 0.000 1.207 834 L CA -1.237 53.512 54.840 -0.151 0.000 0.855 834 L CB 0.906 42.833 42.059 -0.219 0.000 1.114 834 L HN 0.553 nan 8.230 nan 0.000 0.485 835 P HA -0.219 nan 4.420 nan 0.000 0.216 835 P C 0.434 177.711 177.300 -0.040 0.000 1.150 835 P CA 1.211 64.283 63.100 -0.048 0.000 0.837 835 P CB -0.219 31.461 31.700 -0.033 0.000 0.786 836 A N 1.804 124.597 122.820 -0.047 0.000 2.620 836 A HA -0.108 4.202 4.320 -0.017 0.000 0.314 836 A C -0.726 176.842 177.584 -0.026 0.000 1.637 836 A CA 0.106 52.120 52.037 -0.039 0.000 1.300 836 A CB -1.348 17.617 19.000 -0.059 0.000 0.754 836 A HN 0.335 nan 8.150 nan 0.000 0.446 837 P HA 0.271 nan 4.420 nan 0.000 0.206 837 P C 0.261 177.553 177.300 -0.014 0.000 1.198 837 P CA 1.186 64.279 63.100 -0.012 0.000 0.902 837 P CB 0.474 32.168 31.700 -0.010 0.000 0.740 838 D N -2.598 117.794 120.400 -0.014 0.000 5.166 838 D HA 0.125 4.755 4.640 -0.017 0.000 0.345 838 D C -1.542 174.749 176.300 -0.015 0.000 1.851 838 D CA -0.208 53.783 54.000 -0.016 0.000 1.002 838 D CB -0.282 40.505 40.800 -0.023 0.000 1.584 838 D HN 0.207 nan 8.370 nan 0.000 0.703 839 E N -0.318 119.871 120.200 -0.018 0.000 2.343 839 E HA 0.718 5.058 4.350 -0.017 0.000 0.260 839 E C -0.943 175.646 176.600 -0.019 0.000 0.908 839 E CA -0.800 55.589 56.400 -0.018 0.000 0.814 839 E CB 1.443 31.131 29.700 -0.020 0.000 1.302 839 E HN 0.362 nan 8.360 nan 0.000 0.408 840 K N 1.316 121.707 120.400 -0.015 0.000 2.444 840 K HA 1.027 5.337 4.320 -0.017 0.000 0.252 840 K C -0.161 176.431 176.600 -0.013 0.000 0.993 840 K CA -0.199 56.079 56.287 -0.015 0.000 0.847 840 K CB 1.431 33.923 32.500 -0.012 0.000 1.340 840 K HN 1.428 nan 8.250 nan 0.000 0.446 841 I N 0.000 120.562 120.570 -0.013 0.000 2.984 841 I HA 0.000 4.160 4.170 -0.017 0.000 0.288 841 I CA 0.000 61.293 61.300 -0.012 0.000 1.566 841 I CB 0.000 37.992 38.000 -0.013 0.000 1.214 841 I HN 0.000 nan 8.210 nan 0.000 0.494