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 7gpb_1_D DATA FIRST_RESID 10 DATA SEQUENCE RKQISVRGLA GVENVTELKK NFNRHLHFTL VKDRNVATPR DYYFALAHTV DATA SEQUENCE RDHLVGRWIR TQQHYYEKDP KRIYYLSLEF YMGRTLQNTM VNLALENACD DATA SEQUENCE EATYQLGLDM EELEEIEEDA GLGNGGLGRL AACFLDSMAT LGLAAYGYGI DATA SEQUENCE RYEFGIFNQK ICGGWQMEEA DDWLRYGNPW EKARPEFTLP VHFYGRVEHT DATA SEQUENCE SQGAKWVDTQ VVLAMPYDTP VPGYRNNVVN TMRLWSAKAP NDFNLKDFNV DATA SEQUENCE GGYIQAVLDR NLAENISRVL YPNXXXXEGK ELRLKQEYFV VAATLQDIIR DATA SEQUENCE RFKSSKFGCR DPVRTNFDAF PDKVAIQLND THPSLAIPEL MRVLVDLERL DATA SEQUENCE DWDKAWEVTV KTCAYTNHTV IPEALERWPV HLLETLLPRH LQIIYEINQR DATA SEQUENCE FLNRVAAAFP GDVDRLRRMS LVEEGAVKRI NMAHLCIAGS HAVNGVARIH DATA SEQUENCE SEILKKTIFK DFYELEPHKF QNKTNGITPR RWLVLCNPGL AEIIAERIGE DATA SEQUENCE EYISDLDQLR KLLSYVDDEA FIRDVAKVKQ ENKLKFAAYL EREYKVHINP DATA SEQUENCE NSLFDVQVKR IHEYKRQLLN CLHVITLYNR IKKEPNKFVV PRTVMIGGKA DATA SEQUENCE APGYHMAKMI IKLITAIGDV VNHDPVVGDR LRVIFLENYR VSLAEKVIPA DATA SEQUENCE ADLSEQISTA GTEASGTGNM KFMLNGALTI GTMDGANVEM AEEAGEENFF DATA SEQUENCE IFGMRVEDVD RLDQRGYNAQ EYYDRIPELR QIIEQLSSGF FSPKQPDLFK DATA SEQUENCE DIVNMLMHHD RFKVFADYEE YVKCQERVSA LYKNPREWTR MVIRNIATSG DATA SEQUENCE KFSSDRTIAQ YAREIWGVEP SRQRLPAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.295 176.300 -0.009 0.000 0.893 10 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 10 R CB 0.000 30.295 30.300 -0.009 0.000 0.687 11 K N 1.474 121.869 120.400 -0.009 0.000 2.442 11 K HA -0.047 4.273 4.320 -0.001 0.000 0.198 11 K C 1.023 177.619 176.600 -0.008 0.000 1.042 11 K CA 0.727 57.008 56.287 -0.009 0.000 0.958 11 K CB 0.107 32.602 32.500 -0.008 0.000 0.766 11 K HN 0.194 nan 8.250 nan 0.000 0.474 12 Q N 0.646 120.442 119.800 -0.007 0.000 2.268 12 Q HA -0.158 4.181 4.340 -0.001 0.000 0.213 12 Q C 0.725 176.722 176.000 -0.005 0.000 0.995 12 Q CA 1.219 57.019 55.803 -0.005 0.000 0.901 12 Q CB -0.480 28.255 28.738 -0.005 0.000 0.921 12 Q HN 0.406 nan 8.270 nan 0.000 0.421 13 I N 0.842 121.408 120.570 -0.007 0.000 2.363 13 I HA 0.074 4.244 4.170 -0.001 0.000 0.292 13 I C 0.377 176.490 176.117 -0.008 0.000 1.075 13 I CA 0.030 61.326 61.300 -0.007 0.000 1.333 13 I CB 0.901 38.895 38.000 -0.010 0.000 1.415 13 I HN -0.136 nan 8.210 nan 0.000 0.502 14 S N 3.815 119.512 115.700 -0.004 0.000 2.625 14 S HA 0.461 4.930 4.470 -0.001 0.000 0.271 14 S C 0.554 175.155 174.600 0.003 0.000 1.161 14 S CA -0.717 57.481 58.200 -0.003 0.000 0.820 14 S CB 1.630 64.829 63.200 -0.003 0.000 1.137 14 S HN 0.257 nan 8.310 nan 0.000 0.470 15 V N 3.101 123.018 119.914 0.005 0.000 2.788 15 V HA 0.014 4.133 4.120 -0.001 0.000 0.251 15 V C 2.218 178.322 176.094 0.017 0.000 1.068 15 V CA 1.625 63.934 62.300 0.014 0.000 1.090 15 V CB -1.090 30.741 31.823 0.012 0.000 0.710 15 V HN 0.878 nan 8.190 nan 0.000 0.467 16 R N 1.779 122.285 120.500 0.009 0.000 2.447 16 R HA -0.019 4.321 4.340 -0.001 0.000 0.215 16 R C 1.350 177.658 176.300 0.013 0.000 1.130 16 R CA 1.586 57.692 56.100 0.009 0.000 1.075 16 R CB -0.569 29.733 30.300 0.003 0.000 0.824 16 R HN 0.456 nan 8.270 nan 0.000 0.484 17 G N 0.325 109.136 108.800 0.018 0.000 3.584 17 G HA2 0.073 4.033 3.960 -0.001 0.000 0.201 17 G HA3 0.073 4.033 3.960 -0.001 0.000 0.201 17 G C 0.582 175.498 174.900 0.027 0.000 1.176 17 G CA -0.309 44.803 45.100 0.020 0.000 0.902 17 G HN 0.174 nan 8.290 nan 0.000 0.678 18 L N -0.377 120.865 121.223 0.032 0.000 2.851 18 L HA 0.720 5.059 4.340 -0.001 0.000 0.237 18 L C 0.231 177.131 176.870 0.051 0.000 1.257 18 L CA -0.012 54.849 54.840 0.035 0.000 1.061 18 L CB -0.842 41.234 42.059 0.027 0.000 1.372 18 L HN 0.148 nan 8.230 nan 0.000 0.493 19 A N -0.075 122.790 122.820 0.074 0.000 2.872 19 A HA 0.605 4.925 4.320 -0.001 0.000 0.305 19 A C 0.820 178.481 177.584 0.128 0.000 1.171 19 A CA -0.077 52.036 52.037 0.126 0.000 0.782 19 A CB 0.339 19.452 19.000 0.188 0.000 1.329 19 A HN 0.310 nan 8.150 nan 0.000 0.432 20 G N 0.946 109.807 108.800 0.101 0.000 3.332 20 G HA2 0.397 4.356 3.960 -0.001 0.000 0.242 20 G HA3 0.397 4.356 3.960 -0.001 0.000 0.242 20 G C 0.923 175.861 174.900 0.062 0.000 1.276 20 G CA 0.644 45.784 45.100 0.068 0.000 0.988 20 G HN 1.311 nan 8.290 nan 0.000 0.517 21 V N 0.169 120.142 119.914 0.097 0.000 0.688 21 V HA -0.403 3.716 4.120 -0.001 0.000 0.092 21 V C 2.214 178.297 176.094 -0.019 0.000 0.813 21 V CA 2.174 64.482 62.300 0.013 0.000 3.105 21 V CB -0.952 30.832 31.823 -0.064 0.000 0.210 21 V HN 0.416 nan 8.190 nan 0.000 0.130 22 E N 0.811 120.977 120.200 -0.058 0.000 2.331 22 E HA -0.125 4.224 4.350 -0.001 0.000 0.199 22 E C 1.015 177.612 176.600 -0.005 0.000 1.008 22 E CA 0.440 56.810 56.400 -0.050 0.000 0.843 22 E CB -0.554 29.116 29.700 -0.050 0.000 0.761 22 E HN 0.634 nan 8.360 nan 0.000 0.507 23 N N 0.556 119.266 118.700 0.017 0.000 2.452 23 N HA -0.045 4.694 4.740 -0.001 0.000 0.266 23 N C 0.881 176.410 175.510 0.032 0.000 1.175 23 N CA -0.100 52.962 53.050 0.021 0.000 0.945 23 N CB 1.149 39.649 38.487 0.022 0.000 1.063 23 N HN -0.196 nan 8.380 nan 0.000 0.472 24 V N 3.181 123.109 119.914 0.024 0.000 3.284 24 V HA -0.155 3.964 4.120 -0.001 0.000 0.273 24 V C 1.933 178.038 176.094 0.018 0.000 1.178 24 V CA 1.289 63.603 62.300 0.024 0.000 1.177 24 V CB -0.709 31.126 31.823 0.019 0.000 0.793 24 V HN 0.671 nan 8.190 nan 0.000 0.536 25 T N -0.840 113.727 114.554 0.021 0.000 2.837 25 T HA -0.047 4.303 4.350 -0.001 0.000 0.248 25 T C 1.920 176.637 174.700 0.029 0.000 1.033 25 T CA 0.752 62.862 62.100 0.017 0.000 1.150 25 T CB -0.096 68.781 68.868 0.014 0.000 0.865 25 T HN 0.365 nan 8.240 nan 0.000 0.425 26 E N 1.453 121.677 120.200 0.041 0.000 2.118 26 E HA -0.041 4.308 4.350 -0.001 0.000 0.195 26 E C 2.262 178.910 176.600 0.080 0.000 0.992 26 E CA 0.729 57.162 56.400 0.055 0.000 0.804 26 E CB -0.461 29.280 29.700 0.069 0.000 0.741 26 E HN 0.455 nan 8.360 nan 0.000 0.458 27 L N 0.624 121.905 121.223 0.097 0.000 2.131 27 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 27 L C 2.422 179.352 176.870 0.099 0.000 1.092 27 L CA 1.170 56.085 54.840 0.124 0.000 0.759 27 L CB -0.330 41.797 42.059 0.113 0.000 0.903 27 L HN 0.056 nan 8.230 nan 0.000 0.435 28 K N -0.117 120.312 120.400 0.047 0.000 2.155 28 K HA -0.143 4.176 4.320 -0.001 0.000 0.203 28 K C 2.085 178.735 176.600 0.084 0.000 1.052 28 K CA 0.715 57.020 56.287 0.029 0.000 0.948 28 K CB 0.008 32.500 32.500 -0.013 0.000 0.728 28 K HN 0.226 nan 8.250 nan 0.000 0.448 29 K N 1.344 121.776 120.400 0.053 0.000 1.978 29 K HA -0.152 4.167 4.320 -0.001 0.000 0.214 29 K C 1.731 178.339 176.600 0.012 0.000 1.049 29 K CA 1.768 58.069 56.287 0.025 0.000 0.939 29 K CB -0.074 32.433 32.500 0.010 0.000 0.721 29 K HN 0.016 nan 8.250 nan 0.000 0.441 30 N N 0.279 118.993 118.700 0.023 0.000 2.272 30 N HA -0.169 4.570 4.740 -0.001 0.000 0.185 30 N C 1.385 176.944 175.510 0.082 0.000 1.014 30 N CA 0.947 53.976 53.050 -0.034 0.000 0.870 30 N CB -0.311 38.207 38.487 0.052 0.000 0.975 30 N HN 0.211 nan 8.380 nan 0.000 0.433 31 F N 1.563 121.537 119.950 0.040 0.000 2.053 31 F HA -0.026 4.501 4.527 -0.001 0.000 0.292 31 F C 1.994 177.791 175.800 -0.005 0.000 1.125 31 F CA 1.128 59.179 58.000 0.086 0.000 1.193 31 F CB -0.428 38.615 39.000 0.072 0.000 0.996 31 F HN -0.075 nan 8.300 nan 0.000 0.470 32 N N 0.859 119.783 118.700 0.373 0.000 2.137 32 N HA -0.194 4.545 4.740 -0.001 0.000 0.190 32 N C 1.942 177.411 175.510 -0.069 0.000 1.017 32 N CA 1.350 54.512 53.050 0.186 0.000 0.859 32 N CB -0.363 38.251 38.487 0.213 0.000 1.002 32 N HN 0.406 nan 8.380 nan 0.000 0.428 33 R N -0.235 120.129 120.500 -0.226 0.000 2.080 33 R HA -0.105 4.234 4.340 -0.001 0.000 0.236 33 R C 1.966 177.971 176.300 -0.492 0.000 1.137 33 R CA 1.451 57.257 56.100 -0.491 0.000 0.943 33 R CB -0.572 29.429 30.300 -0.499 0.000 0.846 33 R HN 0.519 nan 8.270 nan 0.000 0.431 34 H N 0.117 119.018 119.070 -0.282 0.000 2.389 34 H HA -0.108 4.447 4.556 -0.001 0.000 0.299 34 H C 1.939 177.010 175.328 -0.428 0.000 1.081 34 H CA 1.243 57.084 56.048 -0.345 0.000 1.345 34 H CB -0.024 29.520 29.762 -0.363 0.000 1.393 34 H HN 0.042 nan 8.280 nan 0.000 0.520 35 L N 0.353 121.304 121.223 -0.453 0.000 2.042 35 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 35 L C 1.566 178.090 176.870 -0.577 0.000 1.076 35 L CA 1.940 56.415 54.840 -0.609 0.000 0.749 35 L CB -0.435 41.145 42.059 -0.799 0.000 0.893 35 L HN 0.302 nan 8.230 nan 0.000 0.432 36 H N -2.461 116.486 119.070 -0.205 0.000 2.320 36 H HA 0.050 4.606 4.556 -0.001 0.000 0.309 36 H C 1.703 177.143 175.328 0.186 0.000 1.057 36 H CA 1.715 57.734 56.048 -0.048 0.000 1.374 36 H CB -0.207 29.485 29.762 -0.117 0.000 1.421 36 H HN 0.178 nan 8.280 nan 0.000 0.532 37 F N 0.349 120.293 119.950 -0.010 0.000 2.335 37 F HA 0.018 4.545 4.527 -0.001 0.000 0.296 37 F C 2.275 178.021 175.800 -0.090 0.000 1.091 37 F CA 0.839 58.811 58.000 -0.047 0.000 1.399 37 F CB -0.986 37.983 39.000 -0.052 0.000 1.067 37 F HN 0.101 nan 8.300 nan 0.000 0.520 38 T N 0.407 114.986 114.554 0.042 0.000 2.735 38 T HA -0.054 4.295 4.350 -0.001 0.000 0.256 38 T C 1.925 176.565 174.700 -0.100 0.000 1.042 38 T CA 0.754 62.817 62.100 -0.062 0.000 1.147 38 T CB -0.469 68.282 68.868 -0.195 0.000 0.865 38 T HN -0.035 nan 8.240 nan 0.000 0.421 39 L N 1.452 122.582 121.223 -0.154 0.000 2.552 39 L HA 0.205 4.544 4.340 -0.001 0.000 0.227 39 L C 0.670 177.468 176.870 -0.120 0.000 1.146 39 L CA 0.415 55.156 54.840 -0.165 0.000 0.858 39 L CB -0.861 41.052 42.059 -0.243 0.000 0.969 39 L HN 0.081 nan 8.230 nan 0.000 0.451 40 V N -0.769 119.113 119.914 -0.052 0.000 5.479 40 V HA -0.361 3.758 4.120 -0.001 0.000 0.289 40 V C 0.911 176.988 176.094 -0.029 0.000 0.595 40 V CA 1.068 63.366 62.300 -0.004 0.000 0.649 40 V CB -2.157 29.654 31.823 -0.019 0.000 0.390 40 V HN 0.469 nan 8.190 nan 0.000 0.974 41 K N -0.111 120.254 120.400 -0.058 0.000 2.126 41 K HA 0.775 5.095 4.320 -0.001 0.000 0.245 41 K C -0.641 175.928 176.600 -0.051 0.000 1.068 41 K CA -0.391 55.840 56.287 -0.093 0.000 0.877 41 K CB 2.398 34.781 32.500 -0.195 0.000 1.406 41 K HN 0.373 nan 8.250 nan 0.000 0.490 42 D N -0.979 119.373 120.400 -0.080 0.000 2.653 42 D HA 0.108 4.747 4.640 -0.001 0.000 0.258 42 D C 0.013 176.320 176.300 0.012 0.000 1.252 42 D CA -0.576 53.462 54.000 0.063 0.000 0.777 42 D CB 0.965 41.836 40.800 0.118 0.000 1.339 42 D HN 0.496 nan 8.370 nan 0.000 0.422 43 R N 0.981 121.565 120.500 0.139 0.000 2.237 43 R HA 0.051 4.390 4.340 -0.001 0.000 0.219 43 R C 0.178 176.550 176.300 0.120 0.000 1.080 43 R CA 1.221 57.419 56.100 0.163 0.000 0.995 43 R CB -0.617 29.819 30.300 0.227 0.000 0.875 43 R HN 0.237 nan 8.270 nan 0.000 0.462 44 N N -0.394 118.351 118.700 0.075 0.000 2.322 44 N HA 0.068 4.807 4.740 -0.001 0.000 0.194 44 N C 0.291 175.818 175.510 0.029 0.000 1.126 44 N CA 0.157 53.239 53.050 0.054 0.000 0.845 44 N CB 1.270 39.783 38.487 0.043 0.000 0.976 44 N HN 0.010 nan 8.380 nan 0.000 0.475 45 V N -1.138 118.778 119.914 0.004 0.000 3.213 45 V HA 0.335 4.454 4.120 -0.001 0.000 0.260 45 V C 0.105 176.151 176.094 -0.081 0.000 1.663 45 V CA -0.064 62.217 62.300 -0.031 0.000 1.026 45 V CB 0.312 32.114 31.823 -0.036 0.000 0.874 45 V HN 0.185 nan 8.190 nan 0.000 0.410 46 A N 0.660 123.394 122.820 -0.143 0.000 2.440 46 A HA 0.567 4.886 4.320 -0.001 0.000 0.251 46 A C 0.347 177.811 177.584 -0.200 0.000 1.089 46 A CA 0.714 52.552 52.037 -0.332 0.000 0.779 46 A CB 0.251 18.786 19.000 -0.775 0.000 1.022 46 A HN 0.271 nan 8.150 nan 0.000 0.492 47 T N 3.188 117.629 114.554 -0.189 0.000 2.948 47 T HA 0.483 4.832 4.350 -0.001 0.000 0.285 47 T C -1.504 173.248 174.700 0.086 0.000 1.019 47 T CA -1.255 60.836 62.100 -0.015 0.000 1.013 47 T CB 1.243 70.078 68.868 -0.056 0.000 1.117 47 T HN 0.468 nan 8.240 nan 0.000 0.533 48 P HA -0.252 nan 4.420 nan 0.000 0.216 48 P C 1.412 178.863 177.300 0.252 0.000 1.167 48 P CA 1.530 64.801 63.100 0.285 0.000 0.933 48 P CB 0.011 31.814 31.700 0.173 0.000 0.793 49 R N -0.231 120.344 120.500 0.126 0.000 2.211 49 R HA -0.173 4.166 4.340 -0.001 0.000 0.240 49 R C 1.745 178.090 176.300 0.075 0.000 1.144 49 R CA 1.864 58.046 56.100 0.137 0.000 0.992 49 R CB -0.583 29.663 30.300 -0.089 0.000 0.869 49 R HN 0.180 nan 8.270 nan 0.000 0.462 50 D N -0.632 119.704 120.400 -0.107 0.000 2.144 50 D HA -0.115 4.525 4.640 -0.001 0.000 0.207 50 D C 1.630 177.845 176.300 -0.141 0.000 0.970 50 D CA 1.168 55.013 54.000 -0.258 0.000 0.853 50 D CB -0.333 40.191 40.800 -0.459 0.000 1.007 50 D HN 0.255 nan 8.370 nan 0.000 0.469 51 Y N 0.510 120.831 120.300 0.034 0.000 2.207 51 Y HA -0.257 4.293 4.550 -0.001 0.000 0.287 51 Y C 2.365 178.362 175.900 0.161 0.000 1.156 51 Y CA 0.922 59.073 58.100 0.085 0.000 1.182 51 Y CB -0.900 37.704 38.460 0.240 0.000 0.979 51 Y HN 0.099 nan 8.280 nan 0.000 0.521 52 Y N -0.611 119.870 120.300 0.301 0.000 2.128 52 Y HA -0.298 4.251 4.550 -0.001 0.000 0.284 52 Y C 1.932 177.944 175.900 0.187 0.000 1.154 52 Y CA 1.398 59.644 58.100 0.243 0.000 1.149 52 Y CB -1.001 37.599 38.460 0.233 0.000 0.976 52 Y HN 0.045 nan 8.280 nan 0.000 0.505 53 F N 0.074 119.846 119.950 -0.297 0.000 2.293 53 F HA -0.030 4.496 4.527 -0.001 0.000 0.300 53 F C 2.539 178.150 175.800 -0.316 0.000 1.086 53 F CA 0.952 58.707 58.000 -0.408 0.000 1.375 53 F CB -1.050 37.841 39.000 -0.181 0.000 1.045 53 F HN 0.204 nan 8.300 nan 0.000 0.516 54 A N -0.562 122.155 122.820 -0.172 0.000 1.929 54 A HA -0.109 4.211 4.320 -0.001 0.000 0.216 54 A C 2.099 179.544 177.584 -0.232 0.000 1.176 54 A CA 1.187 52.987 52.037 -0.395 0.000 0.628 54 A CB -0.880 17.518 19.000 -1.004 0.000 0.816 54 A HN 0.296 nan 8.150 nan 0.000 0.444 55 L N -0.339 120.862 121.223 -0.037 0.000 2.072 55 L HA 0.063 4.403 4.340 -0.001 0.000 0.205 55 L C 2.648 179.443 176.870 -0.125 0.000 1.079 55 L CA 1.937 56.867 54.840 0.150 0.000 0.752 55 L CB -0.780 41.426 42.059 0.244 0.000 0.906 55 L HN 0.326 nan 8.230 nan 0.000 0.436 56 A N -1.600 120.932 122.820 -0.480 0.000 2.015 56 A HA -0.224 4.096 4.320 -0.001 0.000 0.219 56 A C 1.964 179.044 177.584 -0.841 0.000 1.163 56 A CA 1.731 53.269 52.037 -0.832 0.000 0.646 56 A CB -0.868 17.210 19.000 -1.537 0.000 0.806 56 A HN 0.649 nan 8.150 nan 0.000 0.448 57 H N -1.126 117.517 119.070 -0.711 0.000 2.482 57 H HA 0.029 4.584 4.556 -0.001 0.000 0.286 57 H C 2.211 177.144 175.328 -0.658 0.000 1.017 57 H CA 1.557 57.141 56.048 -0.774 0.000 1.322 57 H CB -0.242 28.859 29.762 -1.102 0.000 1.426 57 H HN 0.404 nan 8.280 nan 0.000 0.546 58 T N 0.049 114.441 114.554 -0.270 0.000 2.746 58 T HA -0.127 4.222 4.350 -0.001 0.000 0.267 58 T C 2.175 176.870 174.700 -0.009 0.000 1.039 58 T CA 1.537 63.641 62.100 0.006 0.000 1.142 58 T CB -0.358 68.642 68.868 0.220 0.000 0.866 58 T HN 0.133 nan 8.240 nan 0.000 0.444 59 V N 0.996 120.954 119.914 0.074 0.000 2.548 59 V HA -0.028 4.091 4.120 -0.001 0.000 0.249 59 V C 2.518 178.730 176.094 0.197 0.000 1.055 59 V CA 1.231 63.672 62.300 0.235 0.000 1.065 59 V CB -0.610 31.399 31.823 0.311 0.000 0.681 59 V HN 0.306 nan 8.190 nan 0.000 0.462 60 R N 0.067 120.596 120.500 0.049 0.000 2.092 60 R HA -0.146 4.194 4.340 -0.001 0.000 0.231 60 R C 2.094 178.416 176.300 0.036 0.000 1.119 60 R CA 1.448 57.593 56.100 0.076 0.000 0.970 60 R CB -0.293 29.915 30.300 -0.153 0.000 0.864 60 R HN 0.501 nan 8.270 nan 0.000 0.440 61 D N -0.282 120.082 120.400 -0.061 0.000 2.149 61 D HA -0.191 4.449 4.640 -0.001 0.000 0.194 61 D C 1.664 177.966 176.300 0.003 0.000 1.001 61 D CA 1.559 55.533 54.000 -0.043 0.000 0.849 61 D CB -0.342 40.389 40.800 -0.114 0.000 0.939 61 D HN 0.500 nan 8.370 nan 0.000 0.449 62 H N 0.268 119.399 119.070 0.102 0.000 2.253 62 H HA -0.027 4.528 4.556 -0.001 0.000 0.296 62 H C 2.431 177.811 175.328 0.087 0.000 1.074 62 H CA 0.570 56.668 56.048 0.083 0.000 1.263 62 H CB -0.249 29.555 29.762 0.070 0.000 1.363 62 H HN 0.015 nan 8.280 nan 0.000 0.489 63 L N 0.718 122.080 121.223 0.231 0.000 2.064 63 L HA -0.214 4.126 4.340 -0.001 0.000 0.216 63 L C 2.533 179.520 176.870 0.196 0.000 1.077 63 L CA 1.600 56.534 54.840 0.156 0.000 0.766 63 L CB -0.351 41.784 42.059 0.127 0.000 0.890 63 L HN 0.357 nan 8.230 nan 0.000 0.435 64 V N -2.617 117.444 119.914 0.245 0.000 3.406 64 V HA 0.100 4.219 4.120 -0.001 0.000 0.263 64 V C 2.049 178.329 176.094 0.310 0.000 1.172 64 V CA 1.133 63.683 62.300 0.417 0.000 1.140 64 V CB -0.207 31.845 31.823 0.381 0.000 0.784 64 V HN 0.353 nan 8.190 nan 0.000 0.467 65 G N 1.175 110.094 108.800 0.199 0.000 2.453 65 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.215 65 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.215 65 G C 1.656 176.624 174.900 0.114 0.000 1.201 65 G CA 0.972 46.154 45.100 0.137 0.000 0.784 65 G HN 0.514 nan 8.290 nan 0.000 0.545 66 R N -0.742 119.827 120.500 0.115 0.000 2.113 66 R HA -0.190 4.149 4.340 -0.001 0.000 0.231 66 R C 2.315 178.665 176.300 0.082 0.000 1.129 66 R CA 1.752 57.894 56.100 0.070 0.000 0.915 66 R CB -0.986 29.351 30.300 0.062 0.000 0.837 66 R HN 0.516 nan 8.270 nan 0.000 0.430 67 W N 2.073 123.367 121.300 -0.011 0.000 2.308 67 W HA -0.235 4.424 4.660 -0.001 0.000 0.301 67 W C 1.693 178.200 176.519 -0.019 0.000 1.220 67 W CA 1.445 58.781 57.345 -0.016 0.000 1.240 67 W CB -0.061 29.402 29.460 0.006 0.000 1.142 67 W HN 0.032 nan 8.180 nan 0.000 0.521 68 I N 0.780 121.437 120.570 0.146 0.000 2.233 68 I HA -0.221 3.948 4.170 -0.001 0.000 0.243 68 I C 2.543 178.618 176.117 -0.070 0.000 1.093 68 I CA 1.391 62.678 61.300 -0.022 0.000 1.380 68 I CB -1.858 36.143 38.000 0.002 0.000 1.067 68 I HN 0.000 nan 8.210 nan 0.000 0.413 69 R N 0.819 121.296 120.500 -0.038 0.000 2.103 69 R HA -0.160 4.180 4.340 -0.001 0.000 0.234 69 R C 2.280 178.515 176.300 -0.109 0.000 1.132 69 R CA 2.057 58.121 56.100 -0.059 0.000 0.925 69 R CB -1.503 28.765 30.300 -0.053 0.000 0.842 69 R HN 0.321 nan 8.270 nan 0.000 0.430 70 T N 2.118 116.575 114.554 -0.162 0.000 2.624 70 T HA -0.211 4.138 4.350 -0.001 0.000 0.266 70 T C 1.883 176.260 174.700 -0.538 0.000 1.050 70 T CA 1.755 63.669 62.100 -0.311 0.000 1.163 70 T CB -0.146 68.561 68.868 -0.268 0.000 0.861 70 T HN 0.259 nan 8.240 nan 0.000 0.443 71 Q N 0.459 120.043 119.800 -0.359 0.000 2.079 71 Q HA -0.065 4.274 4.340 -0.001 0.000 0.200 71 Q C 2.314 178.300 176.000 -0.022 0.000 0.974 71 Q CA 1.368 57.049 55.803 -0.204 0.000 0.840 71 Q CB -0.482 28.221 28.738 -0.058 0.000 0.898 71 Q HN 0.639 nan 8.270 nan 0.000 0.430 72 Q N -0.437 119.352 119.800 -0.017 0.000 2.167 72 Q HA -0.197 4.142 4.340 -0.001 0.000 0.202 72 Q C 1.966 178.038 176.000 0.121 0.000 0.970 72 Q CA 1.289 57.136 55.803 0.074 0.000 0.855 72 Q CB -0.041 28.704 28.738 0.012 0.000 0.911 72 Q HN 0.438 nan 8.270 nan 0.000 0.438 73 H N -0.621 118.394 119.070 -0.092 0.000 2.290 73 H HA -0.196 4.360 4.556 -0.001 0.000 0.298 73 H C 1.112 176.462 175.328 0.036 0.000 1.087 73 H CA 2.207 58.208 56.048 -0.077 0.000 1.291 73 H CB -0.463 29.181 29.762 -0.196 0.000 1.369 73 H HN 0.335 nan 8.280 nan 0.000 0.492 74 Y N -0.848 119.352 120.300 -0.166 0.000 2.384 74 Y HA -0.168 4.382 4.550 -0.001 0.000 0.289 74 Y C 2.046 177.828 175.900 -0.196 0.000 1.152 74 Y CA 0.737 58.667 58.100 -0.283 0.000 1.258 74 Y CB -1.110 37.195 38.460 -0.258 0.000 0.979 74 Y HN 0.349 nan 8.280 nan 0.000 0.549 75 Y N 0.052 120.396 120.300 0.072 0.000 2.519 75 Y HA -0.062 4.487 4.550 -0.001 0.000 0.287 75 Y C 1.980 177.900 175.900 0.034 0.000 1.128 75 Y CA 0.653 58.787 58.100 0.056 0.000 1.282 75 Y CB 0.312 38.798 38.460 0.043 0.000 1.027 75 Y HN 0.063 nan 8.280 nan 0.000 0.551 76 E N -0.394 119.900 120.200 0.157 0.000 2.094 76 E HA -0.079 4.270 4.350 -0.001 0.000 0.193 76 E C 1.850 178.482 176.600 0.053 0.000 0.950 76 E CA 0.508 56.970 56.400 0.103 0.000 0.842 76 E CB -0.393 29.371 29.700 0.106 0.000 0.816 76 E HN 0.050 nan 8.360 nan 0.000 0.465 77 K N 1.700 122.116 120.400 0.028 0.000 2.360 77 K HA -0.171 4.148 4.320 -0.001 0.000 0.201 77 K C -0.154 176.423 176.600 -0.038 0.000 1.046 77 K CA 1.041 57.321 56.287 -0.012 0.000 0.940 77 K CB -0.430 32.025 32.500 -0.075 0.000 0.748 77 K HN -0.011 nan 8.250 nan 0.000 0.465 78 D N -0.015 120.356 120.400 -0.048 0.000 2.733 78 D HA -0.155 4.485 4.640 -0.001 0.000 0.232 78 D C -2.096 174.141 176.300 -0.104 0.000 1.161 78 D CA 0.740 54.697 54.000 -0.071 0.000 0.653 78 D CB -0.387 40.406 40.800 -0.012 0.000 1.052 78 D HN 0.394 nan 8.370 nan 0.000 0.424 79 P HA -0.058 nan 4.420 nan 0.000 0.271 79 P C 0.039 177.216 177.300 -0.205 0.000 1.238 79 P CA -0.133 62.845 63.100 -0.203 0.000 0.794 79 P CB 0.565 32.071 31.700 -0.324 0.000 0.959 80 K N 1.623 121.917 120.400 -0.178 0.000 2.379 80 K HA 0.063 4.383 4.320 -0.001 0.000 0.284 80 K C 0.086 176.521 176.600 -0.274 0.000 1.044 80 K CA -0.121 56.074 56.287 -0.154 0.000 0.974 80 K CB 0.223 32.667 32.500 -0.094 0.000 0.962 80 K HN 0.326 nan 8.250 nan 0.000 0.474 81 R N 4.698 125.050 120.500 -0.246 0.000 2.207 81 R HA 0.252 4.592 4.340 -0.001 0.000 0.334 81 R C -0.105 175.927 176.300 -0.446 0.000 1.013 81 R CA -0.508 55.345 56.100 -0.412 0.000 0.858 81 R CB 0.836 30.995 30.300 -0.234 0.000 1.094 81 R HN 0.562 nan 8.270 nan 0.000 0.457 82 I N 4.352 124.562 120.570 -0.600 0.000 2.337 82 I HA 0.190 4.359 4.170 -0.001 0.000 0.285 82 I C -1.141 174.738 176.117 -0.397 0.000 1.041 82 I CA -0.721 60.252 61.300 -0.545 0.000 1.199 82 I CB 0.441 37.877 38.000 -0.940 0.000 1.370 82 I HN 0.628 nan 8.210 nan 0.000 0.470 83 Y N 7.353 127.639 120.300 -0.023 0.000 2.616 83 Y HA 0.084 4.633 4.550 -0.001 0.000 0.350 83 Y C 0.026 176.031 175.900 0.174 0.000 1.119 83 Y CA -0.207 57.981 58.100 0.147 0.000 1.467 83 Y CB -0.316 38.169 38.460 0.041 0.000 1.287 83 Y HN 0.477 nan 8.280 nan 0.000 0.504 84 Y N 4.195 124.656 120.300 0.267 0.000 2.783 84 Y HA 0.078 4.627 4.550 -0.001 0.000 0.359 84 Y C 0.053 176.194 175.900 0.402 0.000 1.220 84 Y CA -0.212 58.081 58.100 0.323 0.000 1.649 84 Y CB -0.236 38.439 38.460 0.358 0.000 1.273 84 Y HN 0.438 nan 8.280 nan 0.000 0.506 85 L N 5.125 126.395 121.223 0.078 0.000 2.319 85 L HA 0.296 4.635 4.340 -0.001 0.000 0.280 85 L C 0.183 177.095 176.870 0.070 0.000 1.099 85 L CA -0.081 54.856 54.840 0.163 0.000 0.828 85 L CB 0.735 42.845 42.059 0.085 0.000 1.150 85 L HN 0.542 nan 8.230 nan 0.000 0.442 86 S N 3.075 118.881 115.700 0.178 0.000 2.562 86 S HA 0.373 4.843 4.470 -0.001 0.000 0.274 86 S C -0.196 174.450 174.600 0.077 0.000 1.160 86 S CA -0.655 57.549 58.200 0.007 0.000 0.933 86 S CB 1.235 64.269 63.200 -0.277 0.000 1.100 86 S HN 0.463 nan 8.310 nan 0.000 0.468 87 L N 3.366 124.686 121.223 0.162 0.000 2.682 87 L HA 0.503 4.842 4.340 -0.001 0.000 0.240 87 L C 0.764 177.772 176.870 0.230 0.000 1.178 87 L CA 0.862 55.848 54.840 0.243 0.000 0.970 87 L CB -0.650 41.564 42.059 0.258 0.000 1.179 87 L HN 0.644 nan 8.230 nan 0.000 0.435 88 E N -0.931 119.306 120.200 0.063 0.000 2.375 88 E HA 0.371 4.720 4.350 -0.001 0.000 0.280 88 E C -1.588 174.949 176.600 -0.105 0.000 0.972 88 E CA -0.540 55.901 56.400 0.068 0.000 0.782 88 E CB 2.087 31.779 29.700 -0.013 0.000 1.229 88 E HN -0.160 nan 8.360 nan 0.000 0.439 89 F N 2.621 122.656 119.950 0.141 0.000 3.358 89 F HA 0.134 4.661 4.527 -0.001 0.000 0.396 89 F C -0.718 175.153 175.800 0.118 0.000 1.225 89 F CA -0.568 57.507 58.000 0.125 0.000 1.280 89 F CB 0.643 39.705 39.000 0.104 0.000 2.012 89 F HN 0.457 nan 8.300 nan 0.000 0.685 90 Y N 3.525 123.895 120.300 0.117 0.000 3.028 90 Y HA 0.168 4.718 4.550 -0.001 0.000 0.381 90 Y C 1.216 177.127 175.900 0.018 0.000 1.139 90 Y CA -0.206 57.911 58.100 0.029 0.000 2.013 90 Y CB -0.343 38.122 38.460 0.009 0.000 2.146 90 Y HN 0.622 nan 8.280 nan 0.000 0.412 91 M N 1.149 120.855 119.600 0.176 0.000 2.334 91 M HA 0.083 4.562 4.480 -0.001 0.000 0.265 91 M C 1.315 177.581 176.300 -0.058 0.000 1.085 91 M CA 2.257 57.577 55.300 0.032 0.000 1.093 91 M CB -0.599 31.991 32.600 -0.016 0.000 1.237 91 M HN 0.525 nan 8.290 nan 0.000 0.457 92 G N 1.706 110.464 108.800 -0.071 0.000 2.884 92 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.261 92 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.261 92 G C -0.948 173.892 174.900 -0.099 0.000 1.025 92 G CA -0.149 44.900 45.100 -0.084 0.000 1.228 92 G HN 0.619 nan 8.290 nan 0.000 0.558 93 R N -0.678 119.790 120.500 -0.054 0.000 1.108 93 R HA -0.134 4.205 4.340 -0.001 0.000 0.425 93 R C 0.638 176.845 176.300 -0.155 0.000 1.347 93 R CA 1.053 57.126 56.100 -0.044 0.000 1.080 93 R CB -1.629 28.643 30.300 -0.046 0.000 3.248 93 R HN 0.870 nan 8.270 nan 0.000 0.507 94 T N 1.693 116.116 114.554 -0.218 0.000 3.058 94 T HA 0.174 4.524 4.350 -0.001 0.000 0.278 94 T C 1.516 175.889 174.700 -0.546 0.000 0.974 94 T CA -0.308 61.456 62.100 -0.559 0.000 0.893 94 T CB 0.415 68.631 68.868 -1.087 0.000 1.138 94 T HN 0.360 nan 8.240 nan 0.000 0.529 95 L N 1.106 122.299 121.223 -0.049 0.000 1.932 95 L HA -0.011 4.328 4.340 -0.001 0.000 0.213 95 L C 2.682 179.570 176.870 0.030 0.000 1.108 95 L CA 1.351 56.294 54.840 0.172 0.000 0.778 95 L CB -0.445 41.853 42.059 0.398 0.000 0.891 95 L HN 0.175 nan 8.230 nan 0.000 0.436 96 Q N -0.116 119.710 119.800 0.044 0.000 2.188 96 Q HA -0.375 3.965 4.340 -0.001 0.000 0.217 96 Q C 1.875 177.837 176.000 -0.065 0.000 1.018 96 Q CA 2.800 58.599 55.803 -0.007 0.000 0.910 96 Q CB -0.321 28.405 28.738 -0.020 0.000 0.979 96 Q HN 0.504 nan 8.270 nan 0.000 0.413 97 N N -1.893 116.731 118.700 -0.127 0.000 2.188 97 N HA -0.118 4.621 4.740 -0.001 0.000 0.184 97 N C 1.330 176.756 175.510 -0.141 0.000 1.018 97 N CA 1.424 54.382 53.050 -0.152 0.000 0.858 97 N CB 0.150 38.511 38.487 -0.210 0.000 0.989 97 N HN 0.173 nan 8.380 nan 0.000 0.426 98 T N 0.705 115.146 114.554 -0.188 0.000 2.915 98 T HA -0.027 4.322 4.350 -0.001 0.000 0.269 98 T C 1.831 176.495 174.700 -0.059 0.000 1.071 98 T CA 0.803 62.808 62.100 -0.159 0.000 1.132 98 T CB 0.026 68.724 68.868 -0.284 0.000 0.878 98 T HN 0.266 nan 8.240 nan 0.000 0.479 99 M N 0.869 120.454 119.600 -0.025 0.000 2.098 99 M HA -0.044 4.436 4.480 -0.001 0.000 0.262 99 M C 2.732 179.016 176.300 -0.027 0.000 1.072 99 M CA 1.286 56.587 55.300 0.001 0.000 1.133 99 M CB -0.717 31.902 32.600 0.032 0.000 1.344 99 M HN 0.258 nan 8.290 nan 0.000 0.414 100 V N -0.468 119.433 119.914 -0.022 0.000 2.343 100 V HA -0.225 3.894 4.120 -0.001 0.000 0.247 100 V C 1.627 177.711 176.094 -0.018 0.000 1.051 100 V CA 2.335 64.634 62.300 -0.002 0.000 1.036 100 V CB -1.091 30.756 31.823 0.039 0.000 0.654 100 V HN 0.387 nan 8.190 nan 0.000 0.451 101 N N 0.662 119.357 118.700 -0.008 0.000 2.142 101 N HA -0.020 4.720 4.740 -0.001 0.000 0.186 101 N C 1.391 176.814 175.510 -0.145 0.000 1.023 101 N CA 1.538 54.569 53.050 -0.031 0.000 0.852 101 N CB -0.609 37.883 38.487 0.009 0.000 0.998 101 N HN 0.456 nan 8.380 nan 0.000 0.424 102 L N -0.324 120.838 121.223 -0.102 0.000 2.610 102 L HA 0.223 4.562 4.340 -0.001 0.000 0.232 102 L C 1.093 177.882 176.870 -0.136 0.000 1.149 102 L CA 0.593 55.371 54.840 -0.103 0.000 0.872 102 L CB -0.781 41.250 42.059 -0.048 0.000 0.992 102 L HN 0.307 nan 8.230 nan 0.000 0.447 103 A N -2.199 120.528 122.820 -0.156 0.000 2.705 103 A HA -0.287 4.032 4.320 -0.001 0.000 0.225 103 A C 1.294 178.820 177.584 -0.097 0.000 0.668 103 A CA 1.003 52.950 52.037 -0.150 0.000 1.354 103 A CB -1.898 17.014 19.000 -0.148 0.000 1.286 103 A HN 0.176 nan 8.150 nan 0.000 0.688 104 L N 1.456 122.626 121.223 -0.088 0.000 2.574 104 L HA -0.130 4.210 4.340 -0.001 0.000 0.230 104 L C 1.934 178.795 176.870 -0.015 0.000 1.160 104 L CA 2.486 57.293 54.840 -0.056 0.000 0.807 104 L CB -1.305 40.729 42.059 -0.041 0.000 0.931 104 L HN 0.771 nan 8.230 nan 0.000 0.450 105 E N 0.654 120.845 120.200 -0.014 0.000 2.055 105 E HA -0.292 4.058 4.350 -0.001 0.000 0.209 105 E C 1.981 178.584 176.600 0.005 0.000 1.036 105 E CA 2.105 58.507 56.400 0.003 0.000 0.849 105 E CB -0.226 29.472 29.700 -0.002 0.000 0.767 105 E HN 0.469 nan 8.360 nan 0.000 0.461 106 N N -0.369 118.328 118.700 -0.005 0.000 2.069 106 N HA -0.149 4.590 4.740 -0.001 0.000 0.191 106 N C 1.533 177.044 175.510 0.001 0.000 1.031 106 N CA 1.899 54.946 53.050 -0.006 0.000 0.852 106 N CB -0.701 37.778 38.487 -0.013 0.000 1.018 106 N HN 0.354 nan 8.380 nan 0.000 0.423 107 A N 0.204 123.025 122.820 0.001 0.000 1.865 107 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 107 A C 2.541 180.140 177.584 0.025 0.000 1.191 107 A CA 1.692 53.737 52.037 0.012 0.000 0.623 107 A CB -1.242 17.763 19.000 0.007 0.000 0.826 107 A HN 0.516 nan 8.150 nan 0.000 0.444 108 C N -0.455 118.867 119.300 0.037 0.000 2.403 108 C HA -0.127 4.333 4.460 -0.001 0.000 0.279 108 C C 2.451 177.460 174.990 0.031 0.000 1.269 108 C CA 1.168 60.214 59.018 0.047 0.000 1.774 108 C CB -1.238 26.547 27.740 0.074 0.000 1.993 108 C HN 0.672 nan 8.230 nan 0.000 0.496 109 D N 0.256 120.673 120.400 0.028 0.000 2.149 109 D HA -0.104 4.536 4.640 -0.001 0.000 0.201 109 D C 2.130 178.459 176.300 0.047 0.000 0.972 109 D CA 1.141 55.157 54.000 0.026 0.000 0.835 109 D CB -0.133 40.669 40.800 0.004 0.000 0.966 109 D HN 0.417 nan 8.370 nan 0.000 0.476 110 E N 0.723 120.950 120.200 0.045 0.000 2.031 110 E HA -0.074 4.276 4.350 -0.001 0.000 0.193 110 E C 1.958 178.611 176.600 0.089 0.000 0.994 110 E CA 1.521 57.978 56.400 0.094 0.000 0.800 110 E CB -0.531 29.203 29.700 0.056 0.000 0.752 110 E HN 0.220 nan 8.360 nan 0.000 0.447 111 A N -0.129 122.695 122.820 0.008 0.000 1.892 111 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 111 A C 2.477 179.969 177.584 -0.153 0.000 1.188 111 A CA 3.093 55.085 52.037 -0.075 0.000 0.631 111 A CB -1.503 17.433 19.000 -0.106 0.000 0.822 111 A HN 0.507 nan 8.150 nan 0.000 0.447 112 T N -3.683 110.793 114.554 -0.131 0.000 2.867 112 T HA -0.220 4.129 4.350 -0.001 0.000 0.268 112 T C 1.838 176.505 174.700 -0.056 0.000 1.057 112 T CA 1.540 63.546 62.100 -0.157 0.000 1.136 112 T CB -0.578 68.244 68.868 -0.078 0.000 0.874 112 T HN 0.486 nan 8.240 nan 0.000 0.466 113 Y N 2.212 122.454 120.300 -0.097 0.000 2.207 113 Y HA -0.089 4.460 4.550 -0.001 0.000 0.287 113 Y C 2.507 178.362 175.900 -0.074 0.000 1.156 113 Y CA 1.369 59.427 58.100 -0.070 0.000 1.182 113 Y CB -0.651 37.781 38.460 -0.047 0.000 0.979 113 Y HN 0.286 nan 8.280 nan 0.000 0.521 114 Q N -0.080 119.557 119.800 -0.272 0.000 2.016 114 Q HA -0.131 4.208 4.340 -0.001 0.000 0.200 114 Q C 2.313 178.155 176.000 -0.263 0.000 0.978 114 Q CA 1.832 57.429 55.803 -0.343 0.000 0.833 114 Q CB -0.323 28.304 28.738 -0.185 0.000 0.895 114 Q HN 0.482 nan 8.270 nan 0.000 0.427 115 L N -0.518 120.575 121.223 -0.217 0.000 2.447 115 L HA -0.120 4.219 4.340 -0.001 0.000 0.225 115 L C 1.185 177.942 176.870 -0.189 0.000 1.148 115 L CA 0.843 55.559 54.840 -0.207 0.000 0.808 115 L CB -0.442 41.429 42.059 -0.313 0.000 0.928 115 L HN 0.614 nan 8.230 nan 0.000 0.448 116 G N -0.100 108.590 108.800 -0.183 0.000 2.141 116 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.242 116 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.242 116 G C 0.009 174.831 174.900 -0.129 0.000 0.982 116 G CA -0.156 44.857 45.100 -0.144 0.000 0.662 116 G HN 0.236 nan 8.290 nan 0.000 0.527 117 L N 0.560 121.698 121.223 -0.143 0.000 2.325 117 L HA 0.598 4.938 4.340 -0.001 0.000 0.278 117 L C -0.178 176.671 176.870 -0.034 0.000 1.023 117 L CA -1.060 53.703 54.840 -0.128 0.000 0.811 117 L CB 1.702 43.653 42.059 -0.181 0.000 1.249 117 L HN 0.139 nan 8.230 nan 0.000 0.431 118 D N 2.195 122.596 120.400 0.002 0.000 2.280 118 D HA 0.155 4.794 4.640 -0.001 0.000 0.243 118 D C 0.717 177.051 176.300 0.056 0.000 1.129 118 D CA -0.259 53.764 54.000 0.038 0.000 0.848 118 D CB 1.442 42.266 40.800 0.040 0.000 1.107 118 D HN 0.520 nan 8.370 nan 0.000 0.471 119 M N 3.181 122.818 119.600 0.062 0.000 2.159 119 M HA -0.129 4.350 4.480 -0.001 0.000 0.263 119 M C 1.351 177.711 176.300 0.099 0.000 1.063 119 M CA 1.518 56.870 55.300 0.087 0.000 1.110 119 M CB 0.092 32.737 32.600 0.075 0.000 1.374 119 M HN 0.489 nan 8.290 nan 0.000 0.411 120 E N 0.017 120.261 120.200 0.074 0.000 2.077 120 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 120 E C 1.947 178.594 176.600 0.079 0.000 0.989 120 E CA 1.337 57.779 56.400 0.071 0.000 0.800 120 E CB -0.202 29.531 29.700 0.054 0.000 0.746 120 E HN 0.588 nan 8.360 nan 0.000 0.452 121 E N 0.513 120.758 120.200 0.076 0.000 2.114 121 E HA -0.226 4.123 4.350 -0.001 0.000 0.199 121 E C 2.215 178.876 176.600 0.102 0.000 1.008 121 E CA 1.086 57.532 56.400 0.078 0.000 0.810 121 E CB -0.166 29.578 29.700 0.073 0.000 0.739 121 E HN 0.348 nan 8.360 nan 0.000 0.456 122 L N 0.267 121.578 121.223 0.147 0.000 2.240 122 L HA -0.082 4.258 4.340 -0.001 0.000 0.211 122 L C 2.168 179.166 176.870 0.212 0.000 1.106 122 L CA 0.725 55.702 54.840 0.228 0.000 0.793 122 L CB -0.407 41.848 42.059 0.327 0.000 0.927 122 L HN 0.049 nan 8.230 nan 0.000 0.446 123 E N 0.134 120.435 120.200 0.169 0.000 2.107 123 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 123 E C 1.668 178.279 176.600 0.018 0.000 0.982 123 E CA 0.520 57.001 56.400 0.135 0.000 0.809 123 E CB 0.011 29.786 29.700 0.124 0.000 0.756 123 E HN 0.368 nan 8.360 nan 0.000 0.459 124 E N 0.750 120.966 120.200 0.027 0.000 2.516 124 E HA -0.091 4.259 4.350 -0.001 0.000 0.199 124 E C 1.827 178.413 176.600 -0.023 0.000 1.069 124 E CA 0.292 56.702 56.400 0.017 0.000 0.876 124 E CB 0.126 29.860 29.700 0.057 0.000 0.843 124 E HN 0.309 nan 8.360 nan 0.000 0.530 125 I N 0.886 121.400 120.570 -0.093 0.000 2.394 125 I HA -0.137 4.032 4.170 -0.001 0.000 0.251 125 I C 1.405 177.345 176.117 -0.295 0.000 1.136 125 I CA 0.579 61.779 61.300 -0.166 0.000 1.425 125 I CB -0.729 37.159 38.000 -0.188 0.000 1.079 125 I HN 0.123 nan 8.210 nan 0.000 0.425 126 E N 2.515 122.435 120.200 -0.467 0.000 2.384 126 E HA -0.024 4.325 4.350 -0.001 0.000 0.266 126 E C -0.293 176.293 176.600 -0.023 0.000 1.012 126 E CA -0.115 56.077 56.400 -0.346 0.000 0.901 126 E CB 0.719 30.278 29.700 -0.236 0.000 0.967 126 E HN 0.133 nan 8.360 nan 0.000 0.435 127 E N 3.454 123.724 120.200 0.116 0.000 2.216 127 E HA 0.146 4.495 4.350 -0.001 0.000 0.279 127 E C -1.038 175.683 176.600 0.202 0.000 0.997 127 E CA -0.635 55.887 56.400 0.202 0.000 0.817 127 E CB 1.107 31.015 29.700 0.347 0.000 1.096 127 E HN 0.487 nan 8.360 nan 0.000 0.393 128 D N 1.380 121.852 120.400 0.121 0.000 2.451 128 D HA 0.106 4.746 4.640 -0.001 0.000 0.254 128 D C 0.011 176.266 176.300 -0.075 0.000 1.204 128 D CA 0.215 54.236 54.000 0.035 0.000 0.896 128 D CB 0.346 41.159 40.800 0.023 0.000 1.136 128 D HN 0.414 nan 8.370 nan 0.000 0.499 129 A N 3.739 126.468 122.820 -0.151 0.000 2.666 129 A HA 0.226 4.546 4.320 -0.001 0.000 0.289 129 A C 1.232 178.317 177.584 -0.832 0.000 1.478 129 A CA 0.112 51.783 52.037 -0.609 0.000 1.079 129 A CB -0.653 18.195 19.000 -0.254 0.000 1.015 129 A HN 0.600 nan 8.150 nan 0.000 0.582 130 G N 1.667 109.643 108.800 -1.373 0.000 2.690 130 G HA2 0.416 4.375 3.960 -0.001 0.000 0.294 130 G HA3 0.416 4.375 3.960 -0.001 0.000 0.294 130 G C 0.359 174.855 174.900 -0.672 0.000 0.793 130 G CA -0.237 44.347 45.100 -0.859 0.000 1.818 130 G HN 0.565 nan 8.290 nan 0.000 0.515 131 L N 1.657 122.707 121.223 -0.289 0.000 3.174 131 L HA 0.329 4.668 4.340 -0.001 0.000 0.283 131 L C 1.178 178.128 176.870 0.133 0.000 1.187 131 L CA 0.347 55.231 54.840 0.073 0.000 1.018 131 L CB -0.103 41.997 42.059 0.067 0.000 1.433 131 L HN 0.478 nan 8.230 nan 0.000 0.593 132 G N -0.412 108.321 108.800 -0.111 0.000 2.730 132 G HA2 0.422 4.381 3.960 -0.001 0.000 0.289 132 G HA3 0.422 4.381 3.960 -0.001 0.000 0.289 132 G C 0.072 174.474 174.900 -0.831 0.000 1.341 132 G CA 0.068 44.988 45.100 -0.300 0.000 0.932 132 G HN 0.015 nan 8.290 nan 0.000 0.481 133 N N -1.761 116.446 118.700 -0.821 0.000 2.559 133 N HA 0.315 5.055 4.740 -0.001 0.000 0.247 133 N C 0.838 175.997 175.510 -0.585 0.000 1.063 133 N CA 1.233 53.841 53.050 -0.736 0.000 0.876 133 N CB 0.756 39.028 38.487 -0.358 0.000 1.608 133 N HN 0.875 nan 8.380 nan 0.000 0.467 134 G N -1.671 106.994 108.800 -0.226 0.000 3.058 134 G HA2 0.420 4.379 3.960 -0.001 0.000 0.282 134 G HA3 0.420 4.379 3.960 -0.001 0.000 0.282 134 G C 0.449 175.468 174.900 0.198 0.000 1.248 134 G CA -0.181 44.981 45.100 0.103 0.000 0.822 134 G HN 0.193 nan 8.290 nan 0.000 0.579 135 G N -0.321 108.554 108.800 0.125 0.000 2.448 135 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.219 135 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.219 135 G C 1.567 176.480 174.900 0.022 0.000 1.127 135 G CA 1.063 46.205 45.100 0.070 0.000 0.766 135 G HN 0.449 nan 8.290 nan 0.000 0.552 136 L N 1.206 122.421 121.223 -0.013 0.000 2.131 136 L HA 0.054 4.393 4.340 -0.001 0.000 0.210 136 L C 2.265 179.095 176.870 -0.067 0.000 1.092 136 L CA 2.316 57.090 54.840 -0.110 0.000 0.759 136 L CB -1.031 40.939 42.059 -0.148 0.000 0.903 136 L HN 0.247 nan 8.230 nan 0.000 0.435 137 G N -0.904 107.891 108.800 -0.009 0.000 2.719 137 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.211 137 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.211 137 G C 1.633 176.609 174.900 0.127 0.000 1.140 137 G CA 0.343 45.452 45.100 0.014 0.000 0.790 137 G HN 0.307 nan 8.290 nan 0.000 0.529 138 R N -0.046 120.555 120.500 0.167 0.000 2.092 138 R HA 0.102 4.442 4.340 -0.001 0.000 0.231 138 R C 2.227 178.540 176.300 0.021 0.000 1.119 138 R CA 0.834 57.011 56.100 0.128 0.000 0.970 138 R CB -0.650 29.690 30.300 0.066 0.000 0.864 138 R HN 0.280 nan 8.270 nan 0.000 0.440 139 L N 0.475 121.646 121.223 -0.086 0.000 1.955 139 L HA -0.074 4.266 4.340 -0.001 0.000 0.213 139 L C 2.152 178.783 176.870 -0.398 0.000 1.072 139 L CA 2.459 57.108 54.840 -0.319 0.000 0.755 139 L CB -1.281 40.577 42.059 -0.336 0.000 0.888 139 L HN 0.283 nan 8.230 nan 0.000 0.432 140 A N -0.778 121.912 122.820 -0.216 0.000 2.009 140 A HA -0.255 4.065 4.320 -0.001 0.000 0.222 140 A C 2.378 180.042 177.584 0.134 0.000 1.175 140 A CA 2.368 54.354 52.037 -0.085 0.000 0.651 140 A CB -1.211 17.723 19.000 -0.111 0.000 0.815 140 A HN 0.676 nan 8.150 nan 0.000 0.459 141 A N -1.267 121.649 122.820 0.160 0.000 1.874 141 A HA -0.073 4.246 4.320 -0.001 0.000 0.214 141 A C 2.302 179.969 177.584 0.138 0.000 1.189 141 A CA 1.441 53.599 52.037 0.200 0.000 0.615 141 A CB -1.196 17.909 19.000 0.175 0.000 0.830 141 A HN 0.621 nan 8.150 nan 0.000 0.443 142 C N -1.221 118.157 119.300 0.130 0.000 2.413 142 C HA -0.093 4.367 4.460 -0.001 0.000 0.276 142 C C 2.398 177.570 174.990 0.302 0.000 1.248 142 C CA 0.627 59.764 59.018 0.197 0.000 1.742 142 C CB -1.711 26.166 27.740 0.228 0.000 2.017 142 C HN 0.591 nan 8.230 nan 0.000 0.481 143 F N 1.109 121.036 119.950 -0.039 0.000 2.161 143 F HA -0.094 4.432 4.527 -0.001 0.000 0.300 143 F C 2.261 177.991 175.800 -0.118 0.000 1.089 143 F CA 0.907 58.827 58.000 -0.135 0.000 1.282 143 F CB -1.277 37.499 39.000 -0.374 0.000 1.010 143 F HN 0.216 nan 8.300 nan 0.000 0.485 144 L N -0.412 120.881 121.223 0.115 0.000 2.056 144 L HA -0.219 4.121 4.340 -0.001 0.000 0.207 144 L C 2.441 179.323 176.870 0.020 0.000 1.078 144 L CA 1.954 56.819 54.840 0.041 0.000 0.749 144 L CB -0.609 41.473 42.059 0.039 0.000 0.901 144 L HN 0.166 nan 8.230 nan 0.000 0.433 145 D N -0.627 119.795 120.400 0.036 0.000 2.137 145 D HA -0.135 4.504 4.640 -0.001 0.000 0.202 145 D C 2.017 178.333 176.300 0.027 0.000 0.970 145 D CA 1.305 55.312 54.000 0.012 0.000 0.837 145 D CB 0.344 41.144 40.800 0.000 0.000 0.981 145 D HN 0.156 nan 8.370 nan 0.000 0.475 146 S N 0.231 115.963 115.700 0.054 0.000 2.382 146 S HA -0.096 4.374 4.470 -0.001 0.000 0.228 146 S C 2.177 176.790 174.600 0.021 0.000 1.027 146 S CA 0.932 59.157 58.200 0.043 0.000 0.991 146 S CB -0.180 63.062 63.200 0.069 0.000 0.823 146 S HN 0.351 nan 8.310 nan 0.000 0.469 147 M N 0.959 120.561 119.600 0.004 0.000 2.159 147 M HA -0.129 4.351 4.480 -0.001 0.000 0.263 147 M C 2.442 178.731 176.300 -0.018 0.000 1.063 147 M CA 1.491 56.782 55.300 -0.015 0.000 1.110 147 M CB -0.552 32.011 32.600 -0.061 0.000 1.374 147 M HN 0.416 nan 8.290 nan 0.000 0.411 148 A N 0.066 122.880 122.820 -0.010 0.000 1.840 148 A HA -0.113 4.206 4.320 -0.001 0.000 0.214 148 A C 2.153 179.754 177.584 0.029 0.000 1.198 148 A CA 2.020 54.061 52.037 0.008 0.000 0.608 148 A CB -1.234 17.768 19.000 0.004 0.000 0.839 148 A HN 0.410 nan 8.150 nan 0.000 0.443 149 T N 1.163 115.737 114.554 0.033 0.000 2.653 149 T HA -0.186 4.163 4.350 -0.001 0.000 0.267 149 T C 1.143 175.871 174.700 0.046 0.000 1.037 149 T CA 1.649 63.779 62.100 0.050 0.000 1.159 149 T CB -0.591 68.307 68.868 0.050 0.000 0.859 149 T HN 0.355 nan 8.240 nan 0.000 0.449 150 L N 1.336 122.580 121.223 0.036 0.000 2.939 150 L HA 0.332 4.672 4.340 -0.001 0.000 0.239 150 L C 1.662 178.552 176.870 0.032 0.000 1.325 150 L CA -0.211 54.651 54.840 0.037 0.000 1.170 150 L CB -1.184 40.897 42.059 0.037 0.000 1.538 150 L HN 0.383 nan 8.230 nan 0.000 0.452 151 G N 1.267 110.093 108.800 0.044 0.000 2.468 151 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.311 151 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.311 151 G C 0.255 175.160 174.900 0.008 0.000 0.942 151 G CA 0.426 45.566 45.100 0.066 0.000 0.893 151 G HN 0.428 nan 8.290 nan 0.000 0.513 152 L N -0.416 120.765 121.223 -0.071 0.000 2.350 152 L HA 0.597 4.937 4.340 -0.001 0.000 0.275 152 L C 1.091 177.704 176.870 -0.428 0.000 1.099 152 L CA -0.351 54.361 54.840 -0.213 0.000 0.808 152 L CB 1.543 43.498 42.059 -0.175 0.000 1.149 152 L HN 0.158 nan 8.230 nan 0.000 0.442 153 A N 2.909 125.260 122.820 -0.782 0.000 2.906 153 A HA 0.579 4.898 4.320 -0.001 0.000 0.289 153 A C 0.405 177.407 177.584 -0.970 0.000 1.675 153 A CA -0.104 51.146 52.037 -1.312 0.000 1.372 153 A CB -0.765 17.242 19.000 -1.654 0.000 1.091 153 A HN 0.734 nan 8.150 nan 0.000 0.579 154 A N 1.624 123.997 122.820 -0.745 0.000 2.311 154 A HA 0.866 5.186 4.320 -0.001 0.000 0.334 154 A C -1.065 176.189 177.584 -0.550 0.000 1.139 154 A CA -0.443 51.242 52.037 -0.586 0.000 0.830 154 A CB 0.785 19.581 19.000 -0.340 0.000 1.234 154 A HN 0.681 nan 8.150 nan 0.000 0.483 155 Y N -0.600 119.604 120.300 -0.159 0.000 2.358 155 Y HA 0.487 5.036 4.550 -0.001 0.000 0.324 155 Y C 0.565 176.567 175.900 0.169 0.000 1.123 155 Y CA -0.569 57.514 58.100 -0.029 0.000 1.067 155 Y CB 1.769 40.248 38.460 0.031 0.000 1.230 155 Y HN 0.932 nan 8.280 nan 0.000 0.429 156 G N 1.808 110.739 108.800 0.219 0.000 2.395 156 G HA2 0.481 4.440 3.960 -0.001 0.000 0.283 156 G HA3 0.481 4.440 3.960 -0.001 0.000 0.283 156 G C -1.783 173.228 174.900 0.186 0.000 1.178 156 G CA -0.232 45.031 45.100 0.272 0.000 0.837 156 G HN 0.455 nan 8.290 nan 0.000 0.518 157 Y N 0.138 120.694 120.300 0.426 0.000 2.421 157 Y HA 0.635 5.184 4.550 -0.001 0.000 0.339 157 Y C 0.633 176.876 175.900 0.571 0.000 0.996 157 Y CA 0.021 58.322 58.100 0.334 0.000 1.046 157 Y CB 2.764 41.429 38.460 0.342 0.000 1.226 157 Y HN 0.936 nan 8.280 nan 0.000 0.445 158 G N 2.052 111.189 108.800 0.562 0.000 2.706 158 G HA2 0.618 4.577 3.960 -0.001 0.000 0.307 158 G HA3 0.618 4.577 3.960 -0.001 0.000 0.307 158 G C -1.604 173.524 174.900 0.381 0.000 1.307 158 G CA -0.890 44.534 45.100 0.539 0.000 0.790 158 G HN 0.482 nan 8.290 nan 0.000 0.503 159 I N -0.219 120.477 120.570 0.211 0.000 2.783 159 I HA 0.575 4.745 4.170 -0.001 0.000 0.312 159 I C 0.460 176.444 176.117 -0.223 0.000 0.988 159 I CA -0.853 60.498 61.300 0.085 0.000 1.182 159 I CB 1.826 39.820 38.000 -0.010 0.000 1.368 159 I HN 0.375 nan 8.210 nan 0.000 0.511 160 R N 2.034 122.444 120.500 -0.150 0.000 2.428 160 R HA 0.425 4.764 4.340 -0.001 0.000 0.294 160 R C -1.802 174.324 176.300 -0.290 0.000 1.000 160 R CA -0.304 55.695 56.100 -0.168 0.000 0.960 160 R CB 0.742 30.966 30.300 -0.127 0.000 1.076 160 R HN 0.384 nan 8.270 nan 0.000 0.475 161 Y N 1.758 122.160 120.300 0.170 0.000 2.364 161 Y HA 0.211 4.761 4.550 -0.001 0.000 0.340 161 Y C 0.771 176.773 175.900 0.170 0.000 0.975 161 Y CA -0.868 57.312 58.100 0.134 0.000 1.089 161 Y CB 2.152 40.676 38.460 0.108 0.000 1.192 161 Y HN 0.714 nan 8.280 nan 0.000 0.454 162 E N 1.945 122.201 120.200 0.092 0.000 2.112 162 E HA -0.072 4.277 4.350 -0.001 0.000 0.190 162 E C 0.232 176.522 176.600 -0.518 0.000 0.979 162 E CA 1.170 57.351 56.400 -0.365 0.000 0.814 162 E CB 0.066 29.296 29.700 -0.784 0.000 0.762 162 E HN 0.543 nan 8.360 nan 0.000 0.460 163 F N 0.056 120.176 119.950 0.284 0.000 2.647 163 F HA 0.307 4.833 4.527 -0.001 0.000 0.300 163 F C 1.477 177.402 175.800 0.209 0.000 1.106 163 F CA 0.203 58.342 58.000 0.231 0.000 1.313 163 F CB 0.241 39.310 39.000 0.115 0.000 1.007 163 F HN 0.008 nan 8.300 nan 0.000 0.536 164 G N 1.385 110.385 108.800 0.333 0.000 2.685 164 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.329 164 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.329 164 G C -0.247 174.609 174.900 -0.074 0.000 1.271 164 G CA 0.452 45.602 45.100 0.084 0.000 1.003 164 G HN 0.170 nan 8.290 nan 0.000 0.549 165 I N 0.848 121.353 120.570 -0.109 0.000 2.722 165 I HA 0.508 4.678 4.170 -0.001 0.000 0.295 165 I C 0.553 176.602 176.117 -0.113 0.000 1.161 165 I CA -1.272 59.925 61.300 -0.173 0.000 1.032 165 I CB 1.353 39.146 38.000 -0.345 0.000 1.244 165 I HN 0.775 nan 8.210 nan 0.000 0.421 166 F N 6.068 126.022 119.950 0.007 0.000 2.628 166 F HA 0.031 4.557 4.527 -0.001 0.000 0.362 166 F C 0.413 176.254 175.800 0.068 0.000 1.106 166 F CA 0.386 58.414 58.000 0.047 0.000 1.333 166 F CB -0.119 38.903 39.000 0.037 0.000 0.996 166 F HN 0.452 nan 8.300 nan 0.000 0.608 167 N N 1.971 120.861 118.700 0.316 0.000 2.508 167 N HA 0.146 4.886 4.740 -0.001 0.000 0.285 167 N C -1.211 174.523 175.510 0.373 0.000 1.144 167 N CA -0.527 52.670 53.050 0.244 0.000 0.978 167 N CB 1.385 39.996 38.487 0.208 0.000 1.180 167 N HN 0.820 nan 8.380 nan 0.000 0.484 168 Q N 1.723 121.701 119.800 0.296 0.000 2.274 168 Q HA 0.345 4.685 4.340 -0.001 0.000 0.260 168 Q C -1.381 174.747 176.000 0.214 0.000 0.974 168 Q CA -0.668 55.321 55.803 0.309 0.000 0.876 168 Q CB 1.172 30.102 28.738 0.320 0.000 1.297 168 Q HN 0.340 nan 8.270 nan 0.000 0.446 169 K N 3.717 124.220 120.400 0.172 0.000 2.471 169 K HA 0.340 4.659 4.320 -0.001 0.000 0.252 169 K C -1.094 175.564 176.600 0.098 0.000 0.938 169 K CA -0.489 55.876 56.287 0.130 0.000 0.796 169 K CB 1.125 33.694 32.500 0.115 0.000 1.161 169 K HN 0.579 nan 8.250 nan 0.000 0.425 170 I N 4.735 125.350 120.570 0.075 0.000 2.204 170 I HA 0.106 4.275 4.170 -0.001 0.000 0.285 170 I C -0.481 175.668 176.117 0.053 0.000 1.112 170 I CA -0.489 60.832 61.300 0.034 0.000 1.502 170 I CB -0.704 37.294 38.000 -0.004 0.000 1.499 170 I HN 0.563 nan 8.210 nan 0.000 0.661 171 C N 2.915 122.266 119.300 0.084 0.000 2.555 171 C HA 0.423 4.882 4.460 -0.001 0.000 0.385 171 C C 1.591 176.676 174.990 0.157 0.000 1.296 171 C CA 0.231 59.308 59.018 0.098 0.000 1.757 171 C CB -0.476 27.314 27.740 0.083 0.000 2.445 171 C HN 0.992 nan 8.230 nan 0.000 0.571 172 G N 2.882 111.759 108.800 0.127 0.000 2.147 172 G HA2 0.063 4.022 3.960 -0.001 0.000 0.244 172 G HA3 0.063 4.022 3.960 -0.001 0.000 0.244 172 G C 0.797 175.729 174.900 0.053 0.000 1.005 172 G CA 0.372 45.571 45.100 0.166 0.000 0.713 172 G HN 2.219 nan 8.290 nan 0.000 0.515 173 G N -2.012 106.778 108.800 -0.017 0.000 2.305 173 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.287 173 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.287 173 G C 0.256 175.015 174.900 -0.235 0.000 1.036 173 G CA 0.844 45.848 45.100 -0.161 0.000 0.887 173 G HN 1.293 nan 8.290 nan 0.000 0.505 174 W N -1.285 119.951 121.300 -0.107 0.000 2.950 174 W HA 0.594 5.253 4.660 -0.001 0.000 0.340 174 W C 0.261 176.713 176.519 -0.113 0.000 1.139 174 W CA -1.157 56.121 57.345 -0.113 0.000 1.188 174 W CB 1.438 30.851 29.460 -0.077 0.000 1.426 174 W HN 0.154 nan 8.180 nan 0.000 0.531 175 Q N 3.607 123.512 119.800 0.175 0.000 2.296 175 Q HA 0.385 4.725 4.340 -0.001 0.000 0.257 175 Q C -0.673 175.342 176.000 0.025 0.000 0.942 175 Q CA -0.119 55.718 55.803 0.057 0.000 0.939 175 Q CB 0.703 29.449 28.738 0.013 0.000 1.198 175 Q HN 0.348 nan 8.270 nan 0.000 0.429 176 M N 3.719 123.335 119.600 0.027 0.000 2.311 176 M HA 0.333 4.813 4.480 -0.001 0.000 0.325 176 M C -0.883 175.424 176.300 0.013 0.000 1.061 176 M CA -0.955 54.341 55.300 -0.006 0.000 0.957 176 M CB 1.710 34.317 32.600 0.013 0.000 1.646 176 M HN 0.477 nan 8.290 nan 0.000 0.434 177 E N 2.262 122.423 120.200 -0.065 0.000 2.105 177 E HA 0.252 4.601 4.350 -0.001 0.000 0.285 177 E C -0.661 175.977 176.600 0.062 0.000 1.055 177 E CA -0.158 56.222 56.400 -0.034 0.000 0.843 177 E CB 0.931 30.358 29.700 -0.455 0.000 1.067 177 E HN 0.637 nan 8.360 nan 0.000 0.398 178 E N 1.840 122.127 120.200 0.145 0.000 2.343 178 E HA 0.420 4.770 4.350 -0.001 0.000 0.269 178 E C -0.662 176.036 176.600 0.163 0.000 1.047 178 E CA -0.617 55.860 56.400 0.128 0.000 0.874 178 E CB 0.922 30.704 29.700 0.136 0.000 1.033 178 E HN 0.585 nan 8.360 nan 0.000 0.409 179 A N 3.273 126.170 122.820 0.129 0.000 2.371 179 A HA 0.157 4.477 4.320 -0.001 0.000 0.257 179 A C -0.399 177.309 177.584 0.207 0.000 1.089 179 A CA -0.296 51.831 52.037 0.151 0.000 0.794 179 A CB 0.645 19.686 19.000 0.068 0.000 1.029 179 A HN 0.664 nan 8.150 nan 0.000 0.488 180 D N 1.394 121.956 120.400 0.270 0.000 2.458 180 D HA 0.228 4.868 4.640 -0.001 0.000 0.258 180 D C -0.908 175.653 176.300 0.435 0.000 1.134 180 D CA -0.486 53.697 54.000 0.304 0.000 0.915 180 D CB 0.474 41.423 40.800 0.247 0.000 1.028 180 D HN 0.446 nan 8.370 nan 0.000 0.508 181 D N 3.642 124.293 120.400 0.418 0.000 2.845 181 D HA -0.041 4.599 4.640 -0.001 0.000 0.235 181 D C 1.830 178.233 176.300 0.173 0.000 1.158 181 D CA -0.759 53.454 54.000 0.356 0.000 0.990 181 D CB -0.525 40.527 40.800 0.419 0.000 1.094 181 D HN 0.482 nan 8.370 nan 0.000 0.486 182 W N 0.809 122.158 121.300 0.082 0.000 2.277 182 W HA -0.299 4.360 4.660 -0.001 0.000 0.327 182 W C 0.952 177.525 176.519 0.090 0.000 1.284 182 W CA 0.366 57.768 57.345 0.095 0.000 1.277 182 W CB -1.438 28.078 29.460 0.093 0.000 1.141 182 W HN 0.161 nan 8.180 nan 0.000 0.482 183 L N 2.316 122.907 121.223 -1.054 0.000 2.661 183 L HA -0.171 4.168 4.340 -0.001 0.000 0.236 183 L C 2.687 179.325 176.870 -0.388 0.000 1.176 183 L CA 1.307 55.627 54.840 -0.866 0.000 0.836 183 L CB -0.691 40.748 42.059 -1.032 0.000 0.960 183 L HN 0.031 nan 8.230 nan 0.000 0.455 184 R N -0.854 119.476 120.500 -0.283 0.000 2.391 184 R HA -0.124 4.216 4.340 -0.001 0.000 0.225 184 R C -0.239 175.780 176.300 -0.469 0.000 1.079 184 R CA 0.791 56.693 56.100 -0.331 0.000 1.147 184 R CB -0.472 29.626 30.300 -0.337 0.000 1.103 184 R HN 0.308 nan 8.270 nan 0.000 0.499 185 Y N -1.374 118.915 120.300 -0.017 0.000 2.729 185 Y HA 0.352 4.901 4.550 -0.001 0.000 0.266 185 Y C 0.997 176.951 175.900 0.090 0.000 1.064 185 Y CA 0.083 58.191 58.100 0.013 0.000 1.251 185 Y CB 0.920 39.410 38.460 0.050 0.000 1.379 185 Y HN 0.424 nan 8.280 nan 0.000 0.569 186 G N 1.738 110.638 108.800 0.167 0.000 2.631 186 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.504 186 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.504 186 G C -1.027 173.937 174.900 0.107 0.000 1.306 186 G CA -0.526 44.652 45.100 0.131 0.000 0.897 186 G HN 0.340 nan 8.290 nan 0.000 0.520 187 N N 0.643 119.363 118.700 0.033 0.000 2.609 187 N HA 0.571 5.310 4.740 -0.001 0.000 0.268 187 N C -0.812 174.600 175.510 -0.163 0.000 1.106 187 N CA -1.278 51.749 53.050 -0.038 0.000 0.823 187 N CB 2.103 40.579 38.487 -0.017 0.000 1.263 187 N HN 0.294 nan 8.380 nan 0.000 0.533 188 P HA -0.054 nan 4.420 nan 0.000 0.231 188 P C 0.063 176.909 177.300 -0.756 0.000 1.158 188 P CA 0.869 63.462 63.100 -0.845 0.000 0.763 188 P CB -0.018 30.839 31.700 -1.405 0.000 0.805 189 W N 1.091 122.266 121.300 -0.210 0.000 3.107 189 W HA 0.137 4.797 4.660 -0.001 0.000 0.293 189 W C 1.356 177.832 176.519 -0.072 0.000 1.239 189 W CA -0.542 56.718 57.345 -0.143 0.000 1.653 189 W CB 0.237 29.641 29.460 -0.094 0.000 1.068 189 W HN -0.023 nan 8.180 nan 0.000 0.615 190 E N 1.258 121.544 120.200 0.145 0.000 2.284 190 E HA 0.420 4.769 4.350 -0.001 0.000 0.255 190 E C -0.399 176.243 176.600 0.070 0.000 1.052 190 E CA -0.735 55.751 56.400 0.142 0.000 0.904 190 E CB 1.363 31.225 29.700 0.271 0.000 1.217 190 E HN -0.338 nan 8.360 nan 0.000 0.438 191 K N 0.477 120.885 120.400 0.014 0.000 2.687 191 K HA 0.372 4.691 4.320 -0.001 0.000 0.249 191 K C -1.188 175.224 176.600 -0.314 0.000 0.994 191 K CA -0.464 55.775 56.287 -0.080 0.000 0.913 191 K CB 1.678 34.164 32.500 -0.024 0.000 1.202 191 K HN 0.703 nan 8.250 nan 0.000 0.460 192 A N 3.332 125.842 122.820 -0.517 0.000 2.448 192 A HA 0.361 4.681 4.320 -0.001 0.000 0.239 192 A C 0.049 177.381 177.584 -0.420 0.000 1.080 192 A CA 0.083 51.553 52.037 -0.944 0.000 0.779 192 A CB 0.350 18.935 19.000 -0.691 0.000 1.026 192 A HN 0.643 nan 8.150 nan 0.000 0.499 193 R N 1.624 121.916 120.500 -0.347 0.000 2.655 193 R HA 0.182 4.522 4.340 -0.001 0.000 0.261 193 R C -2.465 173.748 176.300 -0.145 0.000 1.624 193 R CA -1.312 54.701 56.100 -0.144 0.000 1.655 193 R CB 0.879 31.248 30.300 0.116 0.000 1.356 193 R HN 0.552 nan 8.270 nan 0.000 0.684 194 P HA -0.209 nan 4.420 nan 0.000 0.217 194 P C 0.416 177.596 177.300 -0.200 0.000 1.148 194 P CA 1.450 64.483 63.100 -0.113 0.000 0.834 194 P CB 0.504 32.147 31.700 -0.095 0.000 0.783 195 E N -0.674 119.256 120.200 -0.451 0.000 2.153 195 E HA -0.120 4.230 4.350 -0.001 0.000 0.194 195 E C 0.493 176.661 176.600 -0.720 0.000 0.988 195 E CA 0.944 56.915 56.400 -0.715 0.000 0.811 195 E CB -0.727 28.230 29.700 -1.238 0.000 0.746 195 E HN 0.392 nan 8.360 nan 0.000 0.466 196 F N 0.513 120.492 119.950 0.048 0.000 2.532 196 F HA 0.344 4.870 4.527 -0.001 0.000 0.313 196 F C -0.082 175.809 175.800 0.153 0.000 1.301 196 F CA -0.666 57.389 58.000 0.092 0.000 1.154 196 F CB 0.423 39.478 39.000 0.092 0.000 1.335 196 F HN -0.345 nan 8.300 nan 0.000 0.542 197 T N 2.890 117.558 114.554 0.191 0.000 2.799 197 T HA 0.755 5.104 4.350 -0.001 0.000 0.286 197 T C -0.303 174.485 174.700 0.146 0.000 0.973 197 T CA -0.235 61.974 62.100 0.180 0.000 1.035 197 T CB 0.861 69.790 68.868 0.101 0.000 0.932 197 T HN 0.122 nan 8.240 nan 0.000 0.469 198 L N 5.545 126.840 121.223 0.120 0.000 2.388 198 L HA 0.537 4.876 4.340 -0.001 0.000 0.264 198 L C -2.352 174.528 176.870 0.017 0.000 0.998 198 L CA -2.534 52.339 54.840 0.056 0.000 0.817 198 L CB 1.819 43.881 42.059 0.006 0.000 1.338 198 L HN 0.339 nan 8.230 nan 0.000 0.414 199 P HA 0.095 nan 4.420 nan 0.000 0.268 199 P C -0.913 176.376 177.300 -0.018 0.000 1.205 199 P CA -0.080 63.018 63.100 -0.004 0.000 0.771 199 P CB 0.921 32.631 31.700 0.017 0.000 0.858 200 V N 4.405 124.303 119.914 -0.027 0.000 2.448 200 V HA 0.261 4.380 4.120 -0.001 0.000 0.295 200 V C 0.433 176.468 176.094 -0.098 0.000 1.025 200 V CA -0.566 61.681 62.300 -0.089 0.000 0.859 200 V CB 0.949 32.766 31.823 -0.010 0.000 0.988 200 V HN 0.569 nan 8.190 nan 0.000 0.431 201 H N 3.846 122.786 119.070 -0.216 0.000 2.483 201 H HA 0.618 5.173 4.556 -0.001 0.000 0.338 201 H C -1.271 173.922 175.328 -0.225 0.000 1.152 201 H CA -0.103 55.814 56.048 -0.218 0.000 1.264 201 H CB 1.894 31.329 29.762 -0.544 0.000 1.510 201 H HN 0.473 nan 8.280 nan 0.000 0.530 202 F N -0.397 119.679 119.950 0.210 0.000 2.643 202 F HA 0.190 4.716 4.527 -0.001 0.000 0.314 202 F C -0.391 175.607 175.800 0.329 0.000 1.096 202 F CA -0.592 57.545 58.000 0.229 0.000 0.953 202 F CB 0.849 39.893 39.000 0.072 0.000 1.345 202 F HN 0.578 nan 8.300 nan 0.000 0.468 203 Y N 0.120 120.729 120.300 0.515 0.000 2.909 203 Y HA 0.075 4.624 4.550 -0.001 0.000 0.465 203 Y C 1.122 177.302 175.900 0.467 0.000 1.206 203 Y CA 0.756 59.070 58.100 0.356 0.000 2.474 203 Y CB -1.732 36.861 38.460 0.221 0.000 1.242 203 Y HN 1.350 nan 8.280 nan 0.000 0.634 204 G N 0.028 109.130 108.800 0.504 0.000 2.526 204 G HA2 0.193 4.152 3.960 -0.001 0.000 0.250 204 G HA3 0.193 4.152 3.960 -0.001 0.000 0.250 204 G C -1.009 174.151 174.900 0.434 0.000 1.289 204 G CA 0.087 45.443 45.100 0.427 0.000 0.947 204 G HN 1.100 nan 8.290 nan 0.000 0.517 205 R N -1.568 119.207 120.500 0.459 0.000 2.604 205 R HA 0.589 4.928 4.340 -0.001 0.000 0.270 205 R C -1.508 174.985 176.300 0.322 0.000 1.052 205 R CA -0.733 55.544 56.100 0.296 0.000 0.902 205 R CB 1.972 32.392 30.300 0.200 0.000 1.233 205 R HN 0.829 nan 8.270 nan 0.000 0.455 206 V N 3.254 123.272 119.914 0.174 0.000 2.383 206 V HA 0.274 4.393 4.120 -0.001 0.000 0.275 206 V C -0.238 175.908 176.094 0.086 0.000 1.036 206 V CA -0.244 62.108 62.300 0.086 0.000 0.889 206 V CB 1.460 33.261 31.823 -0.037 0.000 0.985 206 V HN 0.756 nan 8.190 nan 0.000 0.459 207 E N 3.531 123.774 120.200 0.072 0.000 2.216 207 E HA 0.352 4.702 4.350 -0.001 0.000 0.279 207 E C -0.629 175.993 176.600 0.037 0.000 0.997 207 E CA -0.591 55.858 56.400 0.082 0.000 0.817 207 E CB 0.888 30.635 29.700 0.079 0.000 1.096 207 E HN 0.644 nan 8.360 nan 0.000 0.393 208 H N 2.211 121.307 119.070 0.043 0.000 2.652 208 H HA 0.221 4.776 4.556 -0.001 0.000 0.298 208 H C -0.674 174.675 175.328 0.034 0.000 1.076 208 H CA -0.029 56.039 56.048 0.034 0.000 1.360 208 H CB 0.820 30.595 29.762 0.023 0.000 1.421 208 H HN 0.437 nan 8.280 nan 0.000 0.464 209 T N 0.645 115.254 114.554 0.092 0.000 2.879 209 T HA 0.116 4.466 4.350 -0.001 0.000 0.290 209 T C 1.231 175.968 174.700 0.062 0.000 0.993 209 T CA -0.634 61.509 62.100 0.072 0.000 0.975 209 T CB 1.743 70.642 68.868 0.052 0.000 0.981 209 T HN 0.608 nan 8.240 nan 0.000 0.439 210 S N 1.772 117.507 115.700 0.059 0.000 2.863 210 S HA -0.393 4.076 4.470 -0.001 0.000 0.371 210 S C 1.397 176.026 174.600 0.048 0.000 1.484 210 S CA 2.184 60.414 58.200 0.050 0.000 1.040 210 S CB -0.836 62.388 63.200 0.040 0.000 1.198 210 S HN 0.789 nan 8.310 nan 0.000 0.450 211 Q N 1.844 121.670 119.800 0.044 0.000 2.201 211 Q HA 0.478 4.818 4.340 -0.001 0.000 0.236 211 Q C 0.757 176.782 176.000 0.042 0.000 0.857 211 Q CA 0.585 56.413 55.803 0.042 0.000 1.025 211 Q CB 0.200 28.960 28.738 0.038 0.000 1.124 211 Q HN 0.722 nan 8.270 nan 0.000 0.473 212 G N -0.781 108.047 108.800 0.046 0.000 1.844 212 G HA2 0.286 4.245 3.960 -0.001 0.000 0.177 212 G HA3 0.286 4.245 3.960 -0.001 0.000 0.177 212 G C -0.744 174.152 174.900 -0.006 0.000 1.010 212 G CA -0.100 45.020 45.100 0.034 0.000 1.257 212 G HN 0.765 nan 8.290 nan 0.000 0.428 213 A N -0.795 122.001 122.820 -0.040 0.000 2.557 213 A HA 0.863 5.182 4.320 -0.001 0.000 0.292 213 A C -1.381 176.190 177.584 -0.021 0.000 1.139 213 A CA -0.051 51.931 52.037 -0.092 0.000 0.665 213 A CB 1.476 20.329 19.000 -0.245 0.000 1.285 213 A HN 0.782 nan 8.150 nan 0.000 0.433 214 K N -0.051 120.352 120.400 0.005 0.000 2.513 214 K HA 0.276 4.596 4.320 -0.001 0.000 0.251 214 K C -2.064 174.631 176.600 0.158 0.000 0.939 214 K CA -0.286 56.041 56.287 0.068 0.000 0.793 214 K CB 2.266 34.800 32.500 0.056 0.000 1.241 214 K HN 0.650 nan 8.250 nan 0.000 0.431 215 W N 6.161 127.442 121.300 -0.032 0.000 2.253 215 W HA 0.272 4.931 4.660 -0.001 0.000 0.348 215 W C -0.352 176.184 176.519 0.029 0.000 0.920 215 W CA -0.994 56.346 57.345 -0.008 0.000 1.518 215 W CB -0.273 29.174 29.460 -0.021 0.000 1.446 215 W HN 0.290 nan 8.180 nan 0.000 0.361 216 V N 2.205 122.228 119.914 0.182 0.000 3.336 216 V HA 0.368 4.487 4.120 -0.001 0.000 0.304 216 V C 0.591 176.712 176.094 0.045 0.000 1.073 216 V CA -0.425 61.914 62.300 0.066 0.000 1.074 216 V CB 0.617 32.492 31.823 0.087 0.000 1.161 216 V HN 0.467 nan 8.190 nan 0.000 0.460 217 D N 0.189 120.607 120.400 0.030 0.000 2.764 217 D HA -0.171 4.468 4.640 -0.001 0.000 0.223 217 D C 0.709 177.030 176.300 0.036 0.000 1.207 217 D CA 1.419 55.441 54.000 0.035 0.000 0.614 217 D CB -1.857 38.980 40.800 0.061 0.000 1.007 217 D HN 1.218 nan 8.370 nan 0.000 0.407 218 T N -3.346 111.180 114.554 -0.047 0.000 2.913 218 T HA 0.235 4.584 4.350 -0.001 0.000 0.297 218 T C 0.355 175.074 174.700 0.032 0.000 1.029 218 T CA -0.725 61.350 62.100 -0.041 0.000 1.104 218 T CB 2.424 71.113 68.868 -0.299 0.000 0.964 218 T HN 0.221 nan 8.240 nan 0.000 0.532 219 Q N 0.766 120.657 119.800 0.151 0.000 2.312 219 Q HA 0.550 4.890 4.340 -0.001 0.000 0.236 219 Q C -1.333 174.726 176.000 0.099 0.000 0.965 219 Q CA -0.768 55.127 55.803 0.153 0.000 0.894 219 Q CB 1.201 30.095 28.738 0.260 0.000 1.225 219 Q HN 0.634 nan 8.270 nan 0.000 0.478 220 V N 2.585 122.528 119.914 0.049 0.000 2.841 220 V HA 0.502 4.622 4.120 -0.001 0.000 0.310 220 V C -0.937 175.200 176.094 0.072 0.000 1.090 220 V CA -0.619 61.632 62.300 -0.081 0.000 0.930 220 V CB 2.428 34.100 31.823 -0.252 0.000 1.014 220 V HN 0.627 nan 8.190 nan 0.000 0.425 221 V N 5.267 125.257 119.914 0.127 0.000 2.914 221 V HA 0.584 4.703 4.120 -0.001 0.000 0.314 221 V C -0.654 175.527 176.094 0.146 0.000 1.084 221 V CA -0.705 61.691 62.300 0.160 0.000 0.963 221 V CB 2.221 34.196 31.823 0.254 0.000 1.025 221 V HN 0.632 nan 8.190 nan 0.000 0.432 222 L N 2.870 124.177 121.223 0.140 0.000 2.329 222 L HA 0.807 5.146 4.340 -0.001 0.000 0.279 222 L C 0.158 177.197 176.870 0.283 0.000 1.014 222 L CA -0.592 54.340 54.840 0.154 0.000 0.814 222 L CB 1.791 43.904 42.059 0.090 0.000 1.257 222 L HN 0.744 nan 8.230 nan 0.000 0.424 223 A N 4.997 127.970 122.820 0.255 0.000 2.290 223 A HA 0.755 5.075 4.320 -0.001 0.000 0.310 223 A C -0.569 177.228 177.584 0.355 0.000 1.202 223 A CA -0.432 51.789 52.037 0.306 0.000 0.837 223 A CB 1.185 20.035 19.000 -0.249 0.000 1.139 223 A HN 0.798 nan 8.150 nan 0.000 0.509 224 M N 5.614 125.521 119.600 0.512 0.000 2.213 224 M HA 0.448 4.927 4.480 -0.001 0.000 0.286 224 M C -2.860 173.768 176.300 0.547 0.000 1.008 224 M CA -2.079 53.498 55.300 0.462 0.000 0.937 224 M CB 2.806 35.607 32.600 0.336 0.000 1.600 224 M HN 0.466 nan 8.290 nan 0.000 0.450 225 P HA 0.258 nan 4.420 nan 0.000 0.279 225 P C -1.808 175.521 177.300 0.047 0.000 1.252 225 P CA -0.154 62.987 63.100 0.068 0.000 0.811 225 P CB 0.863 32.434 31.700 -0.215 0.000 1.035 226 Y N 0.012 120.204 120.300 -0.180 0.000 2.475 226 Y HA 0.194 4.743 4.550 -0.001 0.000 0.343 226 Y C -0.019 175.789 175.900 -0.154 0.000 1.068 226 Y CA -0.598 57.441 58.100 -0.103 0.000 1.307 226 Y CB 0.627 39.057 38.460 -0.051 0.000 1.097 226 Y HN 0.196 nan 8.280 nan 0.000 0.530 227 D N 2.184 122.541 120.400 -0.072 0.000 2.390 227 D HA 0.269 4.909 4.640 -0.001 0.000 0.249 227 D C -0.139 176.137 176.300 -0.040 0.000 1.144 227 D CA 0.456 54.411 54.000 -0.075 0.000 0.880 227 D CB 1.374 42.198 40.800 0.041 0.000 1.182 227 D HN 0.315 nan 8.370 nan 0.000 0.451 228 T N 3.569 118.053 114.554 -0.116 0.000 2.881 228 T HA 0.516 4.865 4.350 -0.001 0.000 0.290 228 T C -2.599 171.954 174.700 -0.245 0.000 1.000 228 T CA -1.339 60.700 62.100 -0.101 0.000 0.978 228 T CB 2.589 71.426 68.868 -0.052 0.000 0.997 228 T HN 0.223 nan 8.240 nan 0.000 0.443 229 P HA 0.555 nan 4.420 nan 0.000 0.304 229 P C -1.132 176.006 177.300 -0.270 0.000 1.381 229 P CA -0.898 61.932 63.100 -0.450 0.000 0.995 229 P CB 1.706 32.863 31.700 -0.904 0.000 1.194 230 V N 0.634 120.418 119.914 -0.215 0.000 2.334 230 V HA 0.566 4.686 4.120 -0.001 0.000 0.281 230 V C -2.468 173.566 176.094 -0.100 0.000 1.016 230 V CA -2.728 59.479 62.300 -0.154 0.000 0.832 230 V CB 1.369 33.113 31.823 -0.132 0.000 0.999 230 V HN 0.426 nan 8.190 nan 0.000 0.439 231 P HA 0.439 nan 4.420 nan 0.000 0.281 231 P C 0.123 177.405 177.300 -0.030 0.000 1.249 231 P CA 0.222 63.289 63.100 -0.055 0.000 0.810 231 P CB 1.974 33.636 31.700 -0.063 0.000 1.008 232 G N 1.258 110.054 108.800 -0.006 0.000 2.388 232 G HA2 0.273 4.232 3.960 -0.001 0.000 0.330 232 G HA3 0.273 4.232 3.960 -0.001 0.000 0.330 232 G C -1.151 173.785 174.900 0.059 0.000 1.142 232 G CA -0.566 44.552 45.100 0.030 0.000 0.908 232 G HN 0.404 nan 8.290 nan 0.000 0.473 233 Y N 1.529 121.799 120.300 -0.050 0.000 2.863 233 Y HA -0.065 4.485 4.550 -0.001 0.000 0.359 233 Y C 1.545 177.420 175.900 -0.043 0.000 1.312 233 Y CA 0.433 58.501 58.100 -0.054 0.000 1.650 233 Y CB 0.171 38.595 38.460 -0.061 0.000 1.201 233 Y HN 0.718 nan 8.280 nan 0.000 0.531 234 R N 2.640 122.907 120.500 -0.388 0.000 3.121 234 R HA -0.303 4.036 4.340 -0.001 0.000 0.233 234 R C -0.104 176.111 176.300 -0.143 0.000 0.884 234 R CA 1.459 57.341 56.100 -0.363 0.000 0.600 234 R CB -1.633 28.291 30.300 -0.628 0.000 1.023 234 R HN 0.861 nan 8.270 nan 0.000 0.482 235 N N -1.794 116.867 118.700 -0.065 0.000 2.184 235 N HA 0.102 4.842 4.740 -0.001 0.000 0.234 235 N C -0.551 174.937 175.510 -0.037 0.000 1.282 235 N CA -0.396 52.634 53.050 -0.033 0.000 0.877 235 N CB 0.577 39.069 38.487 0.009 0.000 1.184 235 N HN 0.088 nan 8.380 nan 0.000 0.510 236 N N -0.489 118.181 118.700 -0.048 0.000 2.714 236 N HA -0.149 4.591 4.740 -0.001 0.000 0.250 236 N C -0.740 174.751 175.510 -0.032 0.000 1.117 236 N CA 1.255 54.280 53.050 -0.042 0.000 0.719 236 N CB -2.034 36.421 38.487 -0.053 0.000 1.081 236 N HN 0.520 nan 8.380 nan 0.000 0.557 237 V N -3.001 116.907 119.914 -0.010 0.000 2.370 237 V HA 0.773 4.892 4.120 -0.001 0.000 0.283 237 V C 0.379 176.475 176.094 0.004 0.000 1.023 237 V CA -0.863 61.439 62.300 0.003 0.000 0.857 237 V CB 2.203 34.066 31.823 0.065 0.000 0.985 237 V HN -0.074 nan 8.190 nan 0.000 0.443 238 V N 5.585 125.496 119.914 -0.005 0.000 2.407 238 V HA 0.552 4.672 4.120 -0.001 0.000 0.291 238 V C -0.207 175.911 176.094 0.039 0.000 1.018 238 V CA -0.375 61.926 62.300 0.002 0.000 0.842 238 V CB 1.393 33.229 31.823 0.021 0.000 0.996 238 V HN 0.992 nan 8.190 nan 0.000 0.426 239 N N 1.925 120.636 118.700 0.018 0.000 2.563 239 N HA 0.525 5.265 4.740 -0.001 0.000 0.288 239 N C -0.261 175.256 175.510 0.011 0.000 1.246 239 N CA -0.495 52.594 53.050 0.067 0.000 0.946 239 N CB 1.612 40.113 38.487 0.024 0.000 1.213 239 N HN 0.546 nan 8.380 nan 0.000 0.578 240 T N 0.906 115.546 114.554 0.144 0.000 2.853 240 T HA 0.281 4.630 4.350 -0.001 0.000 0.317 240 T C 0.379 175.042 174.700 -0.063 0.000 1.059 240 T CA -0.361 61.776 62.100 0.061 0.000 0.954 240 T CB 0.014 69.065 68.868 0.305 0.000 0.994 240 T HN 0.268 nan 8.240 nan 0.000 0.479 241 M N 3.951 123.419 119.600 -0.220 0.000 2.188 241 M HA 0.393 4.873 4.480 -0.001 0.000 0.354 241 M C 0.010 176.056 176.300 -0.423 0.000 1.342 241 M CA -0.403 54.684 55.300 -0.354 0.000 1.117 241 M CB 0.285 32.654 32.600 -0.385 0.000 1.670 241 M HN 0.412 nan 8.290 nan 0.000 0.466 242 R N 5.080 125.197 120.500 -0.638 0.000 2.371 242 R HA 0.491 4.830 4.340 -0.001 0.000 0.312 242 R C -2.198 173.676 176.300 -0.710 0.000 0.980 242 R CA -0.493 55.163 56.100 -0.740 0.000 0.867 242 R CB 0.735 30.363 30.300 -1.120 0.000 1.163 242 R HN 0.638 nan 8.270 nan 0.000 0.492 243 L N 4.808 125.769 121.223 -0.436 0.000 2.309 243 L HA 0.559 4.898 4.340 -0.001 0.000 0.282 243 L C -0.741 175.983 176.870 -0.243 0.000 1.036 243 L CA -0.421 54.263 54.840 -0.261 0.000 0.806 243 L CB 0.930 42.939 42.059 -0.084 0.000 1.220 243 L HN 0.597 nan 8.230 nan 0.000 0.429 244 W N 1.552 122.909 121.300 0.095 0.000 2.509 244 W HA 0.707 5.367 4.660 -0.001 0.000 0.351 244 W C 0.199 176.848 176.519 0.217 0.000 1.107 244 W CA -0.429 57.010 57.345 0.156 0.000 1.264 244 W CB 1.323 30.798 29.460 0.024 0.000 1.312 244 W HN 0.326 nan 8.180 nan 0.000 0.608 245 S N 0.590 116.628 115.700 0.564 0.000 2.536 245 S HA 0.762 5.232 4.470 -0.001 0.000 0.287 245 S C -0.701 174.179 174.600 0.468 0.000 1.101 245 S CA -0.757 57.671 58.200 0.380 0.000 0.950 245 S CB 1.262 64.541 63.200 0.131 0.000 1.056 245 S HN 0.526 nan 8.310 nan 0.000 0.481 246 A N 3.190 126.154 122.820 0.240 0.000 2.310 246 A HA 0.756 5.075 4.320 -0.001 0.000 0.299 246 A C -0.427 177.212 177.584 0.090 0.000 1.147 246 A CA -0.383 51.702 52.037 0.081 0.000 0.818 246 A CB 0.469 19.270 19.000 -0.333 0.000 1.096 246 A HN 0.705 nan 8.150 nan 0.000 0.495 247 K N 1.119 121.576 120.400 0.096 0.000 2.553 247 K HA 0.531 4.850 4.320 -0.001 0.000 0.250 247 K C -0.372 176.245 176.600 0.028 0.000 0.953 247 K CA -0.512 55.810 56.287 0.058 0.000 0.800 247 K CB 2.260 34.803 32.500 0.073 0.000 1.243 247 K HN 0.922 nan 8.250 nan 0.000 0.435 248 A N 3.526 126.343 122.820 -0.005 0.000 2.429 248 A HA 0.311 4.630 4.320 -0.001 0.000 0.242 248 A C -2.259 175.236 177.584 -0.147 0.000 1.088 248 A CA -0.771 51.245 52.037 -0.034 0.000 0.784 248 A CB -0.579 18.423 19.000 0.004 0.000 1.038 248 A HN 0.371 nan 8.150 nan 0.000 0.501 249 P HA 0.030 nan 4.420 nan 0.000 0.262 249 P C -0.349 176.529 177.300 -0.704 0.000 1.182 249 P CA 0.468 63.405 63.100 -0.271 0.000 0.761 249 P CB 0.209 31.845 31.700 -0.107 0.000 0.795 250 N N 2.021 120.398 118.700 -0.538 0.000 2.535 250 N HA 0.035 4.774 4.740 -0.001 0.000 0.294 250 N C -0.174 175.110 175.510 -0.378 0.000 1.408 250 N CA -0.129 52.516 53.050 -0.676 0.000 0.927 250 N CB 0.255 38.541 38.487 -0.335 0.000 1.276 250 N HN 0.352 nan 8.380 nan 0.000 0.505 251 D N 0.191 120.410 120.400 -0.302 0.000 2.378 251 D HA -0.079 4.561 4.640 -0.001 0.000 0.222 251 D C 0.166 176.618 176.300 0.253 0.000 0.980 251 D CA 0.572 54.597 54.000 0.042 0.000 0.907 251 D CB 0.044 40.920 40.800 0.127 0.000 0.899 251 D HN 0.265 nan 8.370 nan 0.000 0.527 252 F N 1.979 121.947 119.950 0.030 0.000 2.574 252 F HA 0.070 4.596 4.527 -0.001 0.000 0.332 252 F C 1.385 177.196 175.800 0.018 0.000 1.289 252 F CA -0.243 57.773 58.000 0.026 0.000 1.029 252 F CB -1.358 37.656 39.000 0.023 0.000 1.346 252 F HN 0.156 nan 8.300 nan 0.000 0.647 253 N N -0.364 118.456 118.700 0.200 0.000 2.378 253 N HA 0.044 4.784 4.740 -0.001 0.000 0.317 253 N C 0.215 175.763 175.510 0.063 0.000 0.705 253 N CA -0.040 53.068 53.050 0.097 0.000 0.671 253 N CB 0.571 39.101 38.487 0.072 0.000 2.307 253 N HN 0.044 nan 8.380 nan 0.000 1.211 254 L N -0.931 120.352 121.223 0.101 0.000 3.160 254 L HA 0.324 4.663 4.340 -0.001 0.000 0.335 254 L C -0.063 176.933 176.870 0.210 0.000 1.008 254 L CA 0.087 54.983 54.840 0.093 0.000 1.459 254 L CB -1.114 40.967 42.059 0.036 0.000 2.451 254 L HN 0.218 nan 8.230 nan 0.000 0.588 255 K N 2.332 122.857 120.400 0.208 0.000 2.436 255 K HA 0.113 4.432 4.320 -0.001 0.000 0.282 255 K C -0.311 176.412 176.600 0.205 0.000 1.044 255 K CA 0.967 57.384 56.287 0.217 0.000 1.028 255 K CB 0.350 32.934 32.500 0.140 0.000 0.919 255 K HN 0.216 nan 8.250 nan 0.000 0.474 256 D N 3.650 124.169 120.400 0.198 0.000 2.742 256 D HA -0.151 4.489 4.640 -0.001 0.000 0.181 256 D C -0.475 175.946 176.300 0.201 0.000 0.857 256 D CA 0.468 54.526 54.000 0.097 0.000 0.957 256 D CB -0.949 39.905 40.800 0.090 0.000 1.047 256 D HN 0.592 nan 8.370 nan 0.000 0.466 257 F N -0.128 119.839 119.950 0.028 0.000 3.091 257 F HA -0.264 4.262 4.527 -0.001 0.000 0.288 257 F C 1.341 177.150 175.800 0.014 0.000 0.907 257 F CA 1.176 59.187 58.000 0.018 0.000 1.028 257 F CB -2.478 36.531 39.000 0.016 0.000 1.022 257 F HN 0.303 nan 8.300 nan 0.000 0.665 258 N N -0.283 118.534 118.700 0.195 0.000 2.508 258 N HA 0.115 4.854 4.740 -0.001 0.000 0.186 258 N C 0.888 176.433 175.510 0.059 0.000 1.034 258 N CA 1.160 54.270 53.050 0.099 0.000 0.885 258 N CB -0.614 37.914 38.487 0.069 0.000 1.135 258 N HN 0.193 nan 8.380 nan 0.000 0.435 259 V N -1.513 118.432 119.914 0.051 0.000 3.815 259 V HA 0.578 4.697 4.120 -0.001 0.000 0.269 259 V C 2.069 178.157 176.094 -0.011 0.000 0.928 259 V CA -0.103 62.199 62.300 0.005 0.000 0.912 259 V CB -0.571 31.254 31.823 0.004 0.000 1.227 259 V HN 0.550 nan 8.190 nan 0.000 0.404 260 G N -0.225 108.543 108.800 -0.053 0.000 5.452 260 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.310 260 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.310 260 G C 1.278 176.119 174.900 -0.098 0.000 1.392 260 G CA 0.964 46.010 45.100 -0.090 0.000 0.942 260 G HN 1.652 nan 8.290 nan 0.000 0.776 261 G N -0.294 108.483 108.800 -0.039 0.000 2.681 261 G HA2 0.064 4.023 3.960 -0.001 0.000 0.220 261 G HA3 0.064 4.023 3.960 -0.001 0.000 0.220 261 G C 0.635 175.567 174.900 0.053 0.000 1.210 261 G CA 2.079 47.189 45.100 0.017 0.000 0.783 261 G HN 1.421 nan 8.290 nan 0.000 0.609 262 Y N -1.436 118.840 120.300 -0.040 0.000 2.424 262 Y HA 0.304 4.854 4.550 -0.001 0.000 0.323 262 Y C 0.100 175.959 175.900 -0.069 0.000 1.174 262 Y CA -1.245 56.826 58.100 -0.048 0.000 1.060 262 Y CB 1.073 39.506 38.460 -0.044 0.000 1.314 262 Y HN 0.274 nan 8.280 nan 0.000 0.439 263 I N 2.604 123.243 120.570 0.116 0.000 2.967 263 I HA 0.127 4.297 4.170 -0.001 0.000 0.284 263 I C 1.110 177.274 176.117 0.079 0.000 1.145 263 I CA 0.303 61.626 61.300 0.038 0.000 1.704 263 I CB 0.045 38.027 38.000 -0.030 0.000 1.385 263 I HN 0.742 nan 8.210 nan 0.000 0.673 264 Q N 1.945 121.791 119.800 0.077 0.000 2.482 264 Q HA 0.060 4.400 4.340 -0.001 0.000 0.209 264 Q C 1.732 177.666 176.000 -0.110 0.000 0.961 264 Q CA 0.818 56.610 55.803 -0.018 0.000 0.945 264 Q CB 0.159 28.864 28.738 -0.056 0.000 1.012 264 Q HN 0.710 nan 8.270 nan 0.000 0.515 265 A N 0.711 123.407 122.820 -0.207 0.000 2.172 265 A HA -0.031 4.288 4.320 -0.001 0.000 0.216 265 A C 2.079 179.456 177.584 -0.345 0.000 1.154 265 A CA 0.900 52.672 52.037 -0.442 0.000 0.701 265 A CB -0.481 17.992 19.000 -0.878 0.000 0.789 265 A HN 0.284 nan 8.150 nan 0.000 0.465 266 V N -0.227 119.599 119.914 -0.147 0.000 2.317 266 V HA -0.326 3.793 4.120 -0.001 0.000 0.251 266 V C 2.473 178.561 176.094 -0.011 0.000 1.065 266 V CA 2.285 64.566 62.300 -0.031 0.000 1.049 266 V CB -0.767 31.058 31.823 0.005 0.000 0.651 266 V HN 0.618 nan 8.190 nan 0.000 0.450 267 L N -0.135 121.063 121.223 -0.042 0.000 2.109 267 L HA -0.113 4.226 4.340 -0.001 0.000 0.207 267 L C 2.394 179.254 176.870 -0.016 0.000 1.086 267 L CA 1.662 56.488 54.840 -0.024 0.000 0.760 267 L CB -0.643 41.393 42.059 -0.039 0.000 0.910 267 L HN 0.378 nan 8.230 nan 0.000 0.437 268 D N 0.545 120.914 120.400 -0.052 0.000 2.137 268 D HA -0.289 4.350 4.640 -0.001 0.000 0.189 268 D C 2.263 178.650 176.300 0.146 0.000 0.998 268 D CA 1.671 55.686 54.000 0.026 0.000 0.839 268 D CB -0.084 40.735 40.800 0.033 0.000 0.962 268 D HN 0.061 nan 8.370 nan 0.000 0.446 269 R N -0.085 120.585 120.500 0.282 0.000 2.133 269 R HA -0.198 4.141 4.340 -0.001 0.000 0.245 269 R C 2.285 178.675 176.300 0.150 0.000 1.137 269 R CA 1.928 58.227 56.100 0.332 0.000 0.947 269 R CB -0.340 30.202 30.300 0.404 0.000 0.865 269 R HN 0.348 nan 8.270 nan 0.000 0.437 270 N N 0.165 118.925 118.700 0.101 0.000 2.109 270 N HA -0.122 4.617 4.740 -0.001 0.000 0.188 270 N C 2.027 177.564 175.510 0.045 0.000 1.034 270 N CA 1.436 54.526 53.050 0.065 0.000 0.846 270 N CB -0.112 38.404 38.487 0.048 0.000 1.010 270 N HN 0.226 nan 8.380 nan 0.000 0.425 271 L N 1.166 122.407 121.223 0.029 0.000 2.012 271 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 271 L C 2.680 179.538 176.870 -0.019 0.000 1.073 271 L CA 1.306 56.151 54.840 0.007 0.000 0.748 271 L CB -0.932 41.124 42.059 -0.006 0.000 0.891 271 L HN 0.123 nan 8.230 nan 0.000 0.431 272 A N 0.260 123.068 122.820 -0.019 0.000 1.841 272 A HA -0.263 4.056 4.320 -0.001 0.000 0.216 272 A C 2.126 179.671 177.584 -0.066 0.000 1.199 272 A CA 1.906 53.908 52.037 -0.057 0.000 0.621 272 A CB -0.812 18.194 19.000 0.010 0.000 0.835 272 A HN 0.444 nan 8.150 nan 0.000 0.445 273 E N 0.122 120.319 120.200 -0.005 0.000 2.339 273 E HA -0.200 4.150 4.350 -0.001 0.000 0.201 273 E C 0.790 177.398 176.600 0.014 0.000 1.015 273 E CA 1.169 57.574 56.400 0.009 0.000 0.841 273 E CB -0.341 29.389 29.700 0.050 0.000 0.754 273 E HN 0.916 nan 8.360 nan 0.000 0.508 274 N N -0.210 118.497 118.700 0.011 0.000 2.273 274 N HA 0.069 4.808 4.740 -0.001 0.000 0.231 274 N C 1.242 176.772 175.510 0.034 0.000 1.134 274 N CA -0.114 52.964 53.050 0.047 0.000 0.856 274 N CB 0.278 38.808 38.487 0.071 0.000 1.068 274 N HN 0.116 nan 8.380 nan 0.000 0.510 275 I N 0.642 121.174 120.570 -0.063 0.000 2.394 275 I HA -0.159 4.011 4.170 -0.001 0.000 0.251 275 I C 1.519 177.627 176.117 -0.015 0.000 1.136 275 I CA 1.058 62.293 61.300 -0.107 0.000 1.425 275 I CB 0.078 37.825 38.000 -0.423 0.000 1.079 275 I HN 0.147 nan 8.210 nan 0.000 0.425 276 S N -0.125 115.573 115.700 -0.004 0.000 2.524 276 S HA 0.123 4.593 4.470 -0.001 0.000 0.216 276 S C 1.830 176.562 174.600 0.220 0.000 0.987 276 S CA 0.001 58.266 58.200 0.108 0.000 0.909 276 S CB 0.048 63.283 63.200 0.058 0.000 0.781 276 S HN 0.353 nan 8.310 nan 0.000 0.521 277 R N 0.571 121.198 120.500 0.211 0.000 2.153 277 R HA 0.186 4.525 4.340 -0.001 0.000 0.218 277 R C 0.184 176.694 176.300 0.350 0.000 1.072 277 R CA 0.623 56.911 56.100 0.312 0.000 0.990 277 R CB 0.174 30.674 30.300 0.333 0.000 0.889 277 R HN 0.223 nan 8.270 nan 0.000 0.452 278 V N 0.978 121.009 119.914 0.195 0.000 2.752 278 V HA 0.273 4.392 4.120 -0.001 0.000 0.302 278 V C -1.232 174.501 176.094 -0.601 0.000 1.133 278 V CA -0.894 61.339 62.300 -0.111 0.000 0.919 278 V CB 2.001 33.752 31.823 -0.120 0.000 1.026 278 V HN 0.043 nan 8.190 nan 0.000 0.429 279 L N 5.996 126.684 121.223 -0.891 0.000 2.418 279 L HA 0.588 4.927 4.340 -0.001 0.000 0.265 279 L C -1.150 175.320 176.870 -0.667 0.000 1.143 279 L CA -0.321 53.892 54.840 -1.044 0.000 0.809 279 L CB 1.176 42.605 42.059 -1.051 0.000 1.124 279 L HN 0.724 nan 8.230 nan 0.000 0.456 280 Y N 3.660 123.854 120.300 -0.178 0.000 2.387 280 Y HA 0.506 5.056 4.550 -0.001 0.000 0.330 280 Y C -1.739 174.139 175.900 -0.037 0.000 1.133 280 Y CA -1.904 56.164 58.100 -0.054 0.000 1.152 280 Y CB 0.806 39.256 38.460 -0.016 0.000 1.215 280 Y HN 0.491 nan 8.280 nan 0.000 0.466 281 P HA 0.675 nan 4.420 nan 0.000 0.325 281 P C -1.093 176.311 177.300 0.173 0.000 1.298 281 P CA -0.255 62.971 63.100 0.210 0.000 0.771 281 P CB 1.415 33.334 31.700 0.365 0.000 1.389 288 G N -0.173 108.585 108.800 -0.070 0.000 2.379 288 G HA2 0.632 4.591 3.960 -0.001 0.000 0.327 288 G HA3 0.632 4.591 3.960 -0.001 0.000 0.327 288 G C -1.171 173.810 174.900 0.135 0.000 1.145 288 G CA -0.386 44.747 45.100 0.054 0.000 0.905 288 G HN 0.452 nan 8.290 nan 0.000 0.466 289 K N 1.562 122.142 120.400 0.301 0.000 2.579 289 K HA 0.135 4.454 4.320 -0.001 0.000 0.257 289 K C 0.534 177.188 176.600 0.091 0.000 0.950 289 K CA -0.580 55.787 56.287 0.133 0.000 0.862 289 K CB 1.816 34.312 32.500 -0.007 0.000 1.317 289 K HN 0.484 nan 8.250 nan 0.000 0.436 290 E N 3.451 123.667 120.200 0.027 0.000 2.219 290 E HA -0.202 4.148 4.350 -0.001 0.000 0.198 290 E C 1.025 177.568 176.600 -0.095 0.000 0.998 290 E CA 1.237 57.602 56.400 -0.059 0.000 0.818 290 E CB 0.203 29.898 29.700 -0.008 0.000 0.741 290 E HN 0.635 nan 8.360 nan 0.000 0.477 291 L N 0.055 121.262 121.223 -0.027 0.000 2.068 291 L HA -0.110 4.230 4.340 -0.001 0.000 0.204 291 L C 2.638 179.547 176.870 0.065 0.000 1.076 291 L CA 0.716 55.568 54.840 0.021 0.000 0.753 291 L CB -0.183 41.939 42.059 0.105 0.000 0.910 291 L HN 0.109 nan 8.230 nan 0.000 0.439 292 R N -0.233 120.305 120.500 0.063 0.000 2.112 292 R HA -0.262 4.077 4.340 -0.001 0.000 0.242 292 R C 2.134 178.451 176.300 0.029 0.000 1.137 292 R CA 1.880 58.065 56.100 0.142 0.000 0.944 292 R CB -0.957 29.488 30.300 0.242 0.000 0.857 292 R HN 0.269 nan 8.270 nan 0.000 0.435 293 L N 1.750 122.769 121.223 -0.342 0.000 2.083 293 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 293 L C 2.123 178.890 176.870 -0.172 0.000 1.083 293 L CA 1.797 56.268 54.840 -0.615 0.000 0.752 293 L CB -0.259 41.004 42.059 -1.327 0.000 0.899 293 L HN 0.031 nan 8.230 nan 0.000 0.433 294 K N -0.929 119.430 120.400 -0.068 0.000 2.032 294 K HA -0.231 4.088 4.320 -0.001 0.000 0.209 294 K C 2.133 178.903 176.600 0.283 0.000 1.048 294 K CA 2.063 58.411 56.287 0.102 0.000 0.927 294 K CB -0.184 32.234 32.500 -0.137 0.000 0.712 294 K HN 0.527 nan 8.250 nan 0.000 0.441 295 Q N 0.496 120.423 119.800 0.211 0.000 2.020 295 Q HA -0.187 4.152 4.340 -0.001 0.000 0.202 295 Q C 2.002 178.206 176.000 0.339 0.000 0.982 295 Q CA 1.530 57.520 55.803 0.311 0.000 0.838 295 Q CB -0.027 28.899 28.738 0.314 0.000 0.899 295 Q HN 0.362 nan 8.270 nan 0.000 0.423 296 E N -0.256 120.088 120.200 0.239 0.000 2.118 296 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 296 E C 1.777 178.491 176.600 0.190 0.000 0.992 296 E CA 1.059 57.580 56.400 0.201 0.000 0.804 296 E CB -0.163 29.630 29.700 0.154 0.000 0.741 296 E HN 0.334 nan 8.360 nan 0.000 0.458 297 Y N 0.765 121.096 120.300 0.051 0.000 2.184 297 Y HA -0.217 4.332 4.550 -0.001 0.000 0.290 297 Y C 1.957 177.853 175.900 -0.007 0.000 1.129 297 Y CA 0.902 58.974 58.100 -0.048 0.000 1.144 297 Y CB -0.657 37.729 38.460 -0.124 0.000 0.995 297 Y HN -0.009 nan 8.280 nan 0.000 0.513 298 F N 0.182 120.099 119.950 -0.055 0.000 2.021 298 F HA -0.340 4.186 4.527 -0.001 0.000 0.297 298 F C 2.631 178.255 175.800 -0.293 0.000 1.152 298 F CA 2.436 60.339 58.000 -0.161 0.000 1.201 298 F CB -1.413 37.650 39.000 0.105 0.000 0.951 298 F HN -0.065 nan 8.300 nan 0.000 0.504 299 V N -0.159 119.586 119.914 -0.283 0.000 2.317 299 V HA -0.270 3.849 4.120 -0.001 0.000 0.251 299 V C 2.246 178.136 176.094 -0.339 0.000 1.065 299 V CA 2.309 64.399 62.300 -0.349 0.000 1.049 299 V CB -0.690 31.198 31.823 0.109 0.000 0.651 299 V HN 0.375 nan 8.190 nan 0.000 0.450 300 V N -0.512 119.260 119.914 -0.237 0.000 3.129 300 V HA 0.107 4.226 4.120 -0.001 0.000 0.259 300 V C 2.445 178.337 176.094 -0.336 0.000 1.116 300 V CA 1.517 63.694 62.300 -0.205 0.000 1.127 300 V CB 0.011 31.784 31.823 -0.084 0.000 0.742 300 V HN 0.679 nan 8.190 nan 0.000 0.474 301 A N -0.157 122.327 122.820 -0.559 0.000 1.872 301 A HA 0.060 4.380 4.320 -0.001 0.000 0.214 301 A C 2.373 179.661 177.584 -0.494 0.000 1.187 301 A CA 1.675 53.367 52.037 -0.574 0.000 0.614 301 A CB -0.762 17.715 19.000 -0.872 0.000 0.826 301 A HN 0.610 nan 8.150 nan 0.000 0.442 302 A N -0.663 121.719 122.820 -0.730 0.000 1.835 302 A HA -0.116 4.204 4.320 -0.001 0.000 0.215 302 A C 2.313 179.565 177.584 -0.553 0.000 1.199 302 A CA 2.463 53.939 52.037 -0.934 0.000 0.615 302 A CB -1.554 16.303 19.000 -1.904 0.000 0.838 302 A HN 0.403 nan 8.150 nan 0.000 0.444 303 T N 0.132 114.479 114.554 -0.346 0.000 2.699 303 T HA -0.169 4.180 4.350 -0.001 0.000 0.268 303 T C 1.769 176.315 174.700 -0.256 0.000 1.036 303 T CA 1.699 63.763 62.100 -0.061 0.000 1.147 303 T CB -0.381 68.401 68.868 -0.142 0.000 0.862 303 T HN 0.190 nan 8.240 nan 0.000 0.446 304 L N 0.929 121.997 121.223 -0.258 0.000 2.131 304 L HA -0.047 4.292 4.340 -0.001 0.000 0.210 304 L C 2.605 179.388 176.870 -0.144 0.000 1.092 304 L CA 1.579 56.289 54.840 -0.218 0.000 0.759 304 L CB -0.734 41.214 42.059 -0.186 0.000 0.903 304 L HN 0.294 nan 8.230 nan 0.000 0.435 305 Q N -1.029 118.693 119.800 -0.130 0.000 2.135 305 Q HA -0.252 4.087 4.340 -0.001 0.000 0.204 305 Q C 1.748 177.755 176.000 0.012 0.000 0.981 305 Q CA 1.783 57.554 55.803 -0.053 0.000 0.856 305 Q CB -0.053 28.645 28.738 -0.067 0.000 0.902 305 Q HN 0.479 nan 8.270 nan 0.000 0.425 306 D N 0.082 120.502 120.400 0.033 0.000 2.084 306 D HA -0.091 4.548 4.640 -0.001 0.000 0.196 306 D C 1.654 177.946 176.300 -0.014 0.000 0.985 306 D CA 0.864 54.914 54.000 0.084 0.000 0.826 306 D CB -0.010 40.930 40.800 0.234 0.000 0.978 306 D HN 0.147 nan 8.370 nan 0.000 0.456 307 I N 0.689 121.149 120.570 -0.183 0.000 2.127 307 I HA -0.242 3.927 4.170 -0.001 0.000 0.241 307 I C 2.114 178.220 176.117 -0.018 0.000 1.075 307 I CA 0.634 61.758 61.300 -0.293 0.000 1.334 307 I CB -0.161 37.511 38.000 -0.548 0.000 1.040 307 I HN 0.099 nan 8.210 nan 0.000 0.405 308 I N 0.522 121.152 120.570 0.100 0.000 2.423 308 I HA -0.300 3.869 4.170 -0.001 0.000 0.254 308 I C 2.625 178.889 176.117 0.245 0.000 1.151 308 I CA 1.446 62.914 61.300 0.280 0.000 1.421 308 I CB -1.119 37.025 38.000 0.240 0.000 1.079 308 I HN 0.387 nan 8.210 nan 0.000 0.431 309 R N 1.463 122.048 120.500 0.142 0.000 2.062 309 R HA -0.080 4.260 4.340 -0.001 0.000 0.226 309 R C 2.378 178.750 176.300 0.120 0.000 1.125 309 R CA 0.896 57.072 56.100 0.127 0.000 0.966 309 R CB -0.041 30.321 30.300 0.102 0.000 0.861 309 R HN 0.245 nan 8.270 nan 0.000 0.433 310 R N -0.465 120.109 120.500 0.123 0.000 2.148 310 R HA -0.115 4.225 4.340 -0.001 0.000 0.227 310 R C 2.121 178.455 176.300 0.058 0.000 1.103 310 R CA 1.273 57.464 56.100 0.152 0.000 0.983 310 R CB -0.363 30.053 30.300 0.194 0.000 0.874 310 R HN 0.230 nan 8.270 nan 0.000 0.451 311 F N 2.063 121.935 119.950 -0.129 0.000 2.113 311 F HA -0.120 4.406 4.527 -0.001 0.000 0.297 311 F C 1.911 177.572 175.800 -0.231 0.000 1.103 311 F CA 1.474 59.263 58.000 -0.353 0.000 1.248 311 F CB 0.038 38.701 39.000 -0.561 0.000 0.999 311 F HN -0.247 nan 8.300 nan 0.000 0.475 312 K N -0.048 120.288 120.400 -0.107 0.000 2.097 312 K HA -0.098 4.222 4.320 -0.001 0.000 0.205 312 K C 2.232 178.803 176.600 -0.047 0.000 1.050 312 K CA 1.609 57.825 56.287 -0.118 0.000 0.938 312 K CB -0.186 32.384 32.500 0.117 0.000 0.718 312 K HN 0.424 nan 8.250 nan 0.000 0.442 313 S N 0.155 115.871 115.700 0.028 0.000 2.398 313 S HA 0.012 4.482 4.470 -0.001 0.000 0.220 313 S C 1.076 175.761 174.600 0.141 0.000 1.046 313 S CA -0.188 58.059 58.200 0.077 0.000 0.953 313 S CB -0.171 63.080 63.200 0.085 0.000 0.856 313 S HN -0.046 nan 8.310 nan 0.000 0.506 314 S N 2.733 118.580 115.700 0.244 0.000 3.350 314 S HA -0.001 4.469 4.470 -0.001 0.000 0.391 314 S C 0.606 175.340 174.600 0.224 0.000 0.887 314 S CA 0.659 59.069 58.200 0.350 0.000 2.009 314 S CB -0.849 62.357 63.200 0.010 0.000 1.135 314 S HN 0.586 nan 8.310 nan 0.000 0.653 315 K N 0.986 121.499 120.400 0.189 0.000 3.281 315 K HA -0.258 4.062 4.320 -0.001 0.000 0.308 315 K C 0.275 176.856 176.600 -0.031 0.000 1.218 315 K CA 1.527 57.856 56.287 0.069 0.000 0.923 315 K CB -1.248 31.290 32.500 0.064 0.000 1.222 315 K HN 0.597 nan 8.250 nan 0.000 0.440 316 F N -1.930 117.923 119.950 -0.161 0.000 2.717 316 F HA 0.279 4.805 4.527 -0.001 0.000 0.295 316 F C 2.164 177.842 175.800 -0.203 0.000 1.117 316 F CA 0.640 58.478 58.000 -0.270 0.000 1.361 316 F CB 0.401 39.066 39.000 -0.559 0.000 1.112 316 F HN 0.150 nan 8.300 nan 0.000 0.594 317 G N -0.678 108.130 108.800 0.013 0.000 2.509 317 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.218 317 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.218 317 G C 1.286 176.158 174.900 -0.046 0.000 1.124 317 G CA 1.260 46.356 45.100 -0.008 0.000 0.776 317 G HN 0.412 nan 8.290 nan 0.000 0.547 318 C N -0.636 118.616 119.300 -0.080 0.000 3.529 318 C HA 0.324 4.784 4.460 -0.001 0.000 0.288 318 C C 1.734 176.613 174.990 -0.184 0.000 1.353 318 C CA -0.541 58.415 59.018 -0.104 0.000 1.705 318 C CB -0.742 26.947 27.740 -0.084 0.000 2.156 318 C HN 0.272 nan 8.230 nan 0.000 0.555 319 R N 2.738 123.045 120.500 -0.320 0.000 4.113 319 R HA -0.023 4.316 4.340 -0.001 0.000 0.179 319 R C 0.822 176.723 176.300 -0.665 0.000 1.781 319 R CA 0.212 56.014 56.100 -0.498 0.000 1.402 319 R CB -0.855 29.037 30.300 -0.680 0.000 1.375 319 R HN 0.633 nan 8.270 nan 0.000 0.786 320 D N 2.058 122.259 120.400 -0.331 0.000 2.103 320 D HA -0.063 4.576 4.640 -0.001 0.000 0.199 320 D C -1.011 175.197 176.300 -0.153 0.000 0.978 320 D CA 0.479 54.359 54.000 -0.199 0.000 0.829 320 D CB -0.300 40.450 40.800 -0.084 0.000 0.981 320 D HN 0.177 nan 8.370 nan 0.000 0.464 321 P HA -0.263 nan 4.420 nan 0.000 0.227 321 P C 0.670 177.968 177.300 -0.004 0.000 0.926 321 P CA 1.282 64.351 63.100 -0.051 0.000 1.077 321 P CB -0.217 31.455 31.700 -0.047 0.000 0.699 322 V N 1.808 121.739 119.914 0.029 0.000 2.338 322 V HA 0.119 4.238 4.120 -0.001 0.000 0.255 322 V C 1.015 177.148 176.094 0.064 0.000 1.082 322 V CA -0.282 62.053 62.300 0.057 0.000 0.951 322 V CB -0.980 30.891 31.823 0.080 0.000 1.102 322 V HN 0.329 nan 8.190 nan 0.000 0.489 323 R N 3.361 123.894 120.500 0.054 0.000 3.653 323 R HA -0.232 4.108 4.340 -0.001 0.000 0.258 323 R C 0.329 176.647 176.300 0.029 0.000 1.104 323 R CA 1.106 57.241 56.100 0.059 0.000 0.730 323 R CB -3.325 27.034 30.300 0.099 0.000 1.090 323 R HN 0.952 nan 8.270 nan 0.000 0.490 324 T N -0.284 114.295 114.554 0.041 0.000 3.357 324 T HA -0.213 4.136 4.350 -0.001 0.000 0.422 324 T C 0.040 174.697 174.700 -0.073 0.000 0.768 324 T CA 1.393 63.541 62.100 0.080 0.000 2.153 324 T CB -0.902 67.974 68.868 0.014 0.000 1.688 324 T HN 0.705 nan 8.240 nan 0.000 0.659 325 N N -0.356 118.363 118.700 0.031 0.000 2.456 325 N HA 0.555 5.294 4.740 -0.001 0.000 0.296 325 N C 0.796 176.330 175.510 0.039 0.000 1.102 325 N CA -1.422 51.498 53.050 -0.216 0.000 0.924 325 N CB 0.504 39.020 38.487 0.049 0.000 1.186 325 N HN 0.100 nan 8.380 nan 0.000 0.492 326 F N 0.246 120.336 119.950 0.235 0.000 2.494 326 F HA -0.063 4.463 4.527 -0.001 0.000 0.298 326 F C 1.732 177.582 175.800 0.084 0.000 1.106 326 F CA 0.321 58.335 58.000 0.024 0.000 1.452 326 F CB -0.287 38.634 39.000 -0.132 0.000 1.085 326 F HN 0.485 nan 8.300 nan 0.000 0.569 327 D N 0.615 121.127 120.400 0.186 0.000 2.191 327 D HA -0.210 4.429 4.640 -0.001 0.000 0.195 327 D C 2.090 178.488 176.300 0.163 0.000 1.003 327 D CA 1.620 55.712 54.000 0.154 0.000 0.867 327 D CB -0.205 40.679 40.800 0.140 0.000 0.926 327 D HN 0.303 nan 8.370 nan 0.000 0.450 328 A N -1.615 121.340 122.820 0.225 0.000 2.390 328 A HA 0.166 4.486 4.320 -0.001 0.000 0.232 328 A C 1.530 179.232 177.584 0.197 0.000 1.233 328 A CA -0.416 51.771 52.037 0.250 0.000 0.907 328 A CB -0.355 18.884 19.000 0.398 0.000 0.967 328 A HN 0.111 nan 8.150 nan 0.000 0.512 329 F N 2.320 122.203 119.950 -0.111 0.000 2.043 329 F HA -0.139 4.388 4.527 -0.001 0.000 0.297 329 F C -0.269 175.449 175.800 -0.136 0.000 1.121 329 F CA 2.706 60.470 58.000 -0.393 0.000 1.199 329 F CB -0.431 38.299 39.000 -0.449 0.000 0.968 329 F HN 0.217 nan 8.300 nan 0.000 0.478 330 P HA -0.127 nan 4.420 nan 0.000 0.225 330 P C 0.695 178.062 177.300 0.113 0.000 1.148 330 P CA 1.554 64.750 63.100 0.159 0.000 0.779 330 P CB -0.110 31.663 31.700 0.122 0.000 0.780 331 D N 0.749 121.208 120.400 0.097 0.000 2.085 331 D HA -0.079 4.560 4.640 -0.001 0.000 0.199 331 D C 1.916 178.248 176.300 0.054 0.000 0.981 331 D CA 1.274 55.323 54.000 0.081 0.000 0.834 331 D CB -0.111 40.750 40.800 0.102 0.000 0.992 331 D HN 0.230 nan 8.370 nan 0.000 0.457 332 K N -0.111 120.315 120.400 0.043 0.000 2.228 332 K HA 0.072 4.392 4.320 -0.001 0.000 0.202 332 K C 0.299 176.868 176.600 -0.052 0.000 1.051 332 K CA 0.261 56.546 56.287 -0.004 0.000 0.960 332 K CB 0.803 33.313 32.500 0.017 0.000 0.743 332 K HN -0.083 nan 8.250 nan 0.000 0.458 333 V N 0.348 120.218 119.914 -0.072 0.000 2.735 333 V HA 0.564 4.683 4.120 -0.001 0.000 0.310 333 V C -1.254 174.901 176.094 0.102 0.000 1.061 333 V CA -1.073 61.226 62.300 -0.001 0.000 0.913 333 V CB 1.788 33.463 31.823 -0.247 0.000 1.005 333 V HN 0.069 nan 8.190 nan 0.000 0.428 334 A N 5.672 128.569 122.820 0.129 0.000 2.466 334 A HA 0.766 5.086 4.320 -0.001 0.000 0.291 334 A C -0.782 176.875 177.584 0.121 0.000 1.234 334 A CA -0.346 51.744 52.037 0.088 0.000 0.752 334 A CB 0.347 19.306 19.000 -0.068 0.000 1.153 334 A HN 0.736 nan 8.150 nan 0.000 0.458 335 I N 2.397 123.040 120.570 0.121 0.000 2.297 335 I HA 0.203 4.372 4.170 -0.001 0.000 0.291 335 I C 0.216 176.390 176.117 0.095 0.000 1.033 335 I CA -0.222 61.141 61.300 0.105 0.000 1.253 335 I CB 1.274 39.283 38.000 0.016 0.000 1.396 335 I HN 0.580 nan 8.210 nan 0.000 0.476 336 Q N 5.624 125.495 119.800 0.118 0.000 2.278 336 Q HA 0.370 4.710 4.340 -0.001 0.000 0.257 336 Q C -1.092 174.888 176.000 -0.034 0.000 0.928 336 Q CA -1.031 54.846 55.803 0.123 0.000 0.932 336 Q CB 2.125 31.041 28.738 0.297 0.000 1.221 336 Q HN 0.402 nan 8.270 nan 0.000 0.434 337 L N 3.840 125.075 121.223 0.020 0.000 2.278 337 L HA 0.231 4.570 4.340 -0.001 0.000 0.287 337 L C 0.174 177.078 176.870 0.056 0.000 1.072 337 L CA -0.163 54.695 54.840 0.029 0.000 0.819 337 L CB 0.274 42.383 42.059 0.083 0.000 1.176 337 L HN 0.432 nan 8.230 nan 0.000 0.435 338 N N 3.994 122.677 118.700 -0.027 0.000 2.439 338 N HA 0.205 4.945 4.740 -0.001 0.000 0.249 338 N C -0.201 175.373 175.510 0.106 0.000 1.003 338 N CA 0.133 53.231 53.050 0.080 0.000 0.942 338 N CB 0.425 38.902 38.487 -0.017 0.000 1.115 338 N HN 0.603 nan 8.380 nan 0.000 0.505 339 D N 0.742 121.288 120.400 0.243 0.000 5.134 339 D HA -0.215 4.425 4.640 -0.001 0.000 0.314 339 D C 0.083 176.407 176.300 0.041 0.000 2.492 339 D CA 1.344 55.417 54.000 0.121 0.000 1.177 339 D CB -0.084 40.529 40.800 -0.312 0.000 1.155 339 D HN 0.585 nan 8.370 nan 0.000 1.318 340 T N -0.687 113.808 114.554 -0.098 0.000 3.085 340 T HA -0.046 4.304 4.350 -0.001 0.000 0.263 340 T C 1.516 176.198 174.700 -0.031 0.000 1.127 340 T CA 1.639 63.701 62.100 -0.064 0.000 1.103 340 T CB -0.428 68.433 68.868 -0.011 0.000 0.921 340 T HN 0.443 nan 8.240 nan 0.000 0.510 341 H N 2.110 121.269 119.070 0.149 0.000 2.352 341 H HA -0.035 4.521 4.556 -0.001 0.000 0.299 341 H C -0.603 174.805 175.328 0.133 0.000 1.097 341 H CA 0.916 57.062 56.048 0.163 0.000 1.311 341 H CB -1.511 28.347 29.762 0.160 0.000 1.377 341 H HN 0.368 nan 8.280 nan 0.000 0.504 342 P HA -0.057 nan 4.420 nan 0.000 0.242 342 P C 1.160 178.488 177.300 0.046 0.000 1.197 342 P CA 0.985 64.146 63.100 0.103 0.000 0.765 342 P CB 0.135 31.878 31.700 0.072 0.000 0.936 343 S N -0.638 115.071 115.700 0.015 0.000 2.465 343 S HA -0.146 4.324 4.470 -0.001 0.000 0.241 343 S C 1.727 176.322 174.600 -0.009 0.000 1.000 343 S CA 0.794 58.965 58.200 -0.049 0.000 0.964 343 S CB -1.322 61.816 63.200 -0.103 0.000 0.763 343 S HN 0.153 nan 8.310 nan 0.000 0.512 344 L N 0.729 121.975 121.223 0.039 0.000 2.549 344 L HA 0.024 4.363 4.340 -0.001 0.000 0.229 344 L C 2.873 179.782 176.870 0.065 0.000 1.158 344 L CA 0.911 55.791 54.840 0.066 0.000 0.842 344 L CB -1.180 40.935 42.059 0.095 0.000 0.952 344 L HN 0.539 nan 8.230 nan 0.000 0.452 345 A N 0.562 123.388 122.820 0.010 0.000 1.978 345 A HA -0.222 4.097 4.320 -0.001 0.000 0.220 345 A C 2.100 179.651 177.584 -0.055 0.000 1.170 345 A CA 1.477 53.493 52.037 -0.036 0.000 0.636 345 A CB -0.335 18.627 19.000 -0.063 0.000 0.810 345 A HN 0.376 nan 8.150 nan 0.000 0.448 346 I N 0.332 120.879 120.570 -0.039 0.000 2.110 346 I HA -0.122 4.047 4.170 -0.001 0.000 0.236 346 I C -0.162 175.953 176.117 -0.002 0.000 1.068 346 I CA 1.532 62.814 61.300 -0.030 0.000 1.333 346 I CB -0.979 37.021 38.000 -0.000 0.000 1.054 346 I HN 0.233 nan 8.210 nan 0.000 0.402 347 P HA -0.201 nan 4.420 nan 0.000 0.220 347 P C 1.319 178.529 177.300 -0.149 0.000 1.148 347 P CA 1.675 64.740 63.100 -0.059 0.000 0.803 347 P CB 0.108 31.789 31.700 -0.033 0.000 0.782 348 E N 0.410 120.622 120.200 0.020 0.000 2.028 348 E HA -0.150 4.200 4.350 -0.001 0.000 0.191 348 E C 2.039 178.578 176.600 -0.102 0.000 0.988 348 E CA 0.685 57.138 56.400 0.088 0.000 0.799 348 E CB -1.341 28.486 29.700 0.212 0.000 0.755 348 E HN 0.027 nan 8.360 nan 0.000 0.447 349 L N 0.137 121.267 121.223 -0.156 0.000 2.042 349 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 349 L C 2.093 178.776 176.870 -0.311 0.000 1.076 349 L CA 1.872 56.545 54.840 -0.278 0.000 0.749 349 L CB -0.468 41.396 42.059 -0.325 0.000 0.893 349 L HN 0.256 nan 8.230 nan 0.000 0.432 350 M N -1.185 118.259 119.600 -0.260 0.000 2.374 350 M HA -0.114 4.365 4.480 -0.001 0.000 0.264 350 M C 2.230 178.345 176.300 -0.308 0.000 1.067 350 M CA 1.060 56.172 55.300 -0.314 0.000 1.103 350 M CB -1.106 31.342 32.600 -0.253 0.000 1.402 350 M HN 0.321 nan 8.290 nan 0.000 0.444 351 R N 0.405 120.734 120.500 -0.286 0.000 2.093 351 R HA -0.006 4.333 4.340 -0.001 0.000 0.224 351 R C 2.012 178.203 176.300 -0.182 0.000 1.101 351 R CA 0.935 56.880 56.100 -0.257 0.000 0.979 351 R CB -0.408 29.668 30.300 -0.374 0.000 0.877 351 R HN 0.226 nan 8.270 nan 0.000 0.441 352 V N 1.409 121.207 119.914 -0.194 0.000 2.270 352 V HA -0.205 3.914 4.120 -0.001 0.000 0.245 352 V C 2.500 178.434 176.094 -0.267 0.000 1.043 352 V CA 1.452 63.636 62.300 -0.193 0.000 1.014 352 V CB -0.358 31.336 31.823 -0.215 0.000 0.645 352 V HN 0.252 nan 8.190 nan 0.000 0.447 353 L N -0.604 120.397 121.223 -0.370 0.000 2.156 353 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 353 L C 2.193 178.885 176.870 -0.296 0.000 1.095 353 L CA 1.021 55.583 54.840 -0.463 0.000 0.770 353 L CB -0.304 41.429 42.059 -0.544 0.000 0.914 353 L HN 0.253 nan 8.230 nan 0.000 0.439 354 V N -1.596 118.173 119.914 -0.242 0.000 2.672 354 V HA -0.056 4.063 4.120 -0.001 0.000 0.242 354 V C 1.798 177.845 176.094 -0.079 0.000 1.059 354 V CA 0.959 63.171 62.300 -0.147 0.000 1.081 354 V CB -0.197 31.531 31.823 -0.159 0.000 0.752 354 V HN 0.292 nan 8.190 nan 0.000 0.472 355 D N 0.491 120.839 120.400 -0.086 0.000 2.137 355 D HA 0.008 4.647 4.640 -0.001 0.000 0.202 355 D C 2.148 178.427 176.300 -0.034 0.000 0.970 355 D CA 1.108 55.081 54.000 -0.045 0.000 0.837 355 D CB 0.210 40.985 40.800 -0.041 0.000 0.981 355 D HN 0.300 nan 8.370 nan 0.000 0.475 356 L N 0.930 122.120 121.223 -0.056 0.000 2.022 356 L HA -0.072 4.268 4.340 -0.001 0.000 0.204 356 L C 2.461 179.320 176.870 -0.018 0.000 1.076 356 L CA 0.817 55.636 54.840 -0.034 0.000 0.749 356 L CB -0.247 41.785 42.059 -0.045 0.000 0.903 356 L HN -0.130 nan 8.230 nan 0.000 0.439 357 E N 0.350 120.524 120.200 -0.043 0.000 2.004 357 E HA -0.129 4.220 4.350 -0.001 0.000 0.194 357 E C 0.903 177.520 176.600 0.027 0.000 0.981 357 E CA 0.936 57.351 56.400 0.025 0.000 0.842 357 E CB 0.043 29.769 29.700 0.044 0.000 0.796 357 E HN 0.144 nan 8.360 nan 0.000 0.477 358 R N -1.332 119.171 120.500 0.005 0.000 2.596 358 R HA 0.071 4.410 4.340 -0.001 0.000 0.044 358 R C -0.839 175.474 176.300 0.022 0.000 0.498 358 R CA 0.026 56.138 56.100 0.020 0.000 0.773 358 R CB -1.239 29.089 30.300 0.047 0.000 0.806 358 R HN 0.033 nan 8.270 nan 0.000 0.599 359 L N 2.798 124.021 121.223 -0.002 0.000 2.525 359 L HA 0.080 4.420 4.340 -0.001 0.000 0.278 359 L C 0.845 177.718 176.870 0.004 0.000 1.218 359 L CA 0.625 55.474 54.840 0.014 0.000 0.878 359 L CB 0.077 42.117 42.059 -0.032 0.000 1.127 359 L HN 0.314 nan 8.230 nan 0.000 0.492 360 D N 2.049 122.477 120.400 0.047 0.000 2.382 360 D HA -0.150 4.490 4.640 -0.001 0.000 0.240 360 D C 0.835 177.186 176.300 0.086 0.000 1.146 360 D CA -0.354 53.697 54.000 0.085 0.000 0.897 360 D CB 0.936 41.796 40.800 0.099 0.000 1.197 360 D HN 0.617 nan 8.370 nan 0.000 0.432 361 W N 2.049 123.361 121.300 0.020 0.000 2.290 361 W HA -0.231 4.429 4.660 -0.001 0.000 0.311 361 W C 1.857 178.419 176.519 0.072 0.000 1.238 361 W CA 1.985 59.343 57.345 0.021 0.000 1.255 361 W CB 0.004 29.460 29.460 -0.007 0.000 1.145 361 W HN 0.509 nan 8.180 nan 0.000 0.506 362 D N -0.478 120.099 120.400 0.295 0.000 2.117 362 D HA -0.181 4.459 4.640 -0.001 0.000 0.198 362 D C 1.891 178.278 176.300 0.145 0.000 0.982 362 D CA 1.561 55.725 54.000 0.273 0.000 0.828 362 D CB -0.432 40.513 40.800 0.242 0.000 0.967 362 D HN 0.077 nan 8.370 nan 0.000 0.464 363 K N 1.634 122.084 120.400 0.083 0.000 2.063 363 K HA -0.104 4.215 4.320 -0.001 0.000 0.208 363 K C 1.892 178.473 176.600 -0.031 0.000 1.048 363 K CA 1.537 57.849 56.287 0.041 0.000 0.928 363 K CB -0.496 32.032 32.500 0.048 0.000 0.713 363 K HN 0.004 nan 8.250 nan 0.000 0.442 364 A N 0.411 123.165 122.820 -0.110 0.000 1.908 364 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 364 A C 2.268 179.720 177.584 -0.220 0.000 1.181 364 A CA 1.538 53.432 52.037 -0.239 0.000 0.627 364 A CB -1.210 17.560 19.000 -0.384 0.000 0.818 364 A HN 0.706 nan 8.150 nan 0.000 0.445 365 W N 0.628 121.707 121.300 -0.368 0.000 2.381 365 W HA -0.139 4.521 4.660 -0.001 0.000 0.301 365 W C 2.021 178.460 176.519 -0.133 0.000 1.205 365 W CA 1.678 58.852 57.345 -0.284 0.000 1.285 365 W CB -0.115 29.225 29.460 -0.199 0.000 1.133 365 W HN 0.605 nan 8.180 nan 0.000 0.521 366 E N 0.203 120.344 120.200 -0.097 0.000 2.070 366 E HA -0.243 4.106 4.350 -0.001 0.000 0.197 366 E C 1.921 178.415 176.600 -0.177 0.000 1.004 366 E CA 2.128 58.462 56.400 -0.110 0.000 0.805 366 E CB -0.281 29.418 29.700 -0.001 0.000 0.744 366 E HN 0.107 nan 8.360 nan 0.000 0.451 367 V N 0.501 120.306 119.914 -0.182 0.000 2.548 367 V HA -0.172 3.947 4.120 -0.001 0.000 0.249 367 V C 2.325 178.228 176.094 -0.317 0.000 1.055 367 V CA 1.911 64.091 62.300 -0.201 0.000 1.065 367 V CB -0.499 31.202 31.823 -0.204 0.000 0.681 367 V HN 0.317 nan 8.190 nan 0.000 0.462 368 T N 0.246 114.539 114.554 -0.435 0.000 2.737 368 T HA -0.137 4.213 4.350 -0.001 0.000 0.265 368 T C 1.976 176.389 174.700 -0.478 0.000 1.038 368 T CA 1.632 63.446 62.100 -0.477 0.000 1.144 368 T CB -0.189 68.359 68.868 -0.533 0.000 0.866 368 T HN 0.298 nan 8.240 nan 0.000 0.434 369 V N 1.281 120.811 119.914 -0.640 0.000 2.427 369 V HA -0.119 4.000 4.120 -0.001 0.000 0.248 369 V C 2.442 178.416 176.094 -0.200 0.000 1.051 369 V CA 1.464 63.466 62.300 -0.497 0.000 1.048 369 V CB -0.494 30.997 31.823 -0.553 0.000 0.666 369 V HN 0.392 nan 8.190 nan 0.000 0.456 370 K N -0.172 120.157 120.400 -0.118 0.000 2.148 370 K HA -0.116 4.203 4.320 -0.001 0.000 0.204 370 K C 2.090 178.756 176.600 0.110 0.000 1.050 370 K CA 1.696 58.046 56.287 0.106 0.000 0.942 370 K CB -0.153 32.371 32.500 0.039 0.000 0.724 370 K HN 0.515 nan 8.250 nan 0.000 0.446 371 T N -0.154 114.366 114.554 -0.057 0.000 3.043 371 T HA 0.028 4.378 4.350 -0.001 0.000 0.263 371 T C 0.856 175.490 174.700 -0.109 0.000 1.094 371 T CA 0.282 62.370 62.100 -0.021 0.000 1.127 371 T CB -0.016 68.827 68.868 -0.041 0.000 0.905 371 T HN 0.167 nan 8.240 nan 0.000 0.490 372 C N 1.060 120.205 119.300 -0.258 0.000 2.531 372 C HA 0.981 5.440 4.460 -0.001 0.000 0.369 372 C C 0.379 175.144 174.990 -0.375 0.000 1.258 372 C CA -1.213 57.660 59.018 -0.243 0.000 1.876 372 C CB 1.134 28.758 27.740 -0.194 0.000 2.256 372 C HN 0.563 nan 8.230 nan 0.000 0.510 373 A N 0.111 122.841 122.820 -0.149 0.000 2.612 373 A HA 0.751 5.070 4.320 -0.001 0.000 0.293 373 A C -2.031 175.597 177.584 0.072 0.000 1.075 373 A CA -0.292 51.703 52.037 -0.070 0.000 0.680 373 A CB 1.233 20.262 19.000 0.048 0.000 1.279 373 A HN 1.193 nan 8.150 nan 0.000 0.411 374 Y N 0.912 121.151 120.300 -0.101 0.000 2.317 374 Y HA 0.584 5.134 4.550 -0.001 0.000 0.325 374 Y C -0.666 175.191 175.900 -0.073 0.000 1.066 374 Y CA -0.588 57.454 58.100 -0.097 0.000 1.203 374 Y CB 1.446 39.800 38.460 -0.177 0.000 1.127 374 Y HN 0.597 nan 8.280 nan 0.000 0.451 375 T N 6.528 120.976 114.554 -0.177 0.000 2.780 375 T HA 0.184 4.534 4.350 -0.001 0.000 0.294 375 T C -0.308 174.111 174.700 -0.468 0.000 0.949 375 T CA -0.364 61.585 62.100 -0.250 0.000 1.074 375 T CB 0.131 69.042 68.868 0.071 0.000 0.910 375 T HN 0.611 nan 8.240 nan 0.000 0.501 376 N N 1.811 120.164 118.700 -0.579 0.000 2.426 376 N HA 0.136 4.876 4.740 -0.001 0.000 0.275 376 N C -0.198 175.257 175.510 -0.093 0.000 1.019 376 N CA -0.285 52.563 53.050 -0.335 0.000 0.941 376 N CB 0.822 39.139 38.487 -0.283 0.000 1.123 376 N HN 0.606 nan 8.380 nan 0.000 0.486 377 H N -0.065 119.099 119.070 0.157 0.000 2.594 377 H HA 0.143 4.699 4.556 -0.001 0.000 0.279 377 H C -0.056 175.324 175.328 0.087 0.000 1.042 377 H CA -0.123 56.038 56.048 0.190 0.000 1.177 377 H CB 0.487 30.318 29.762 0.116 0.000 1.524 377 H HN 0.411 nan 8.280 nan 0.000 0.537 378 T N -1.890 112.791 114.554 0.213 0.000 2.795 378 T HA 0.304 4.654 4.350 -0.001 0.000 0.282 378 T C 1.006 175.692 174.700 -0.023 0.000 0.980 378 T CA -0.630 61.523 62.100 0.088 0.000 1.012 378 T CB 2.199 71.156 68.868 0.149 0.000 0.936 378 T HN 0.065 nan 8.240 nan 0.000 0.457 379 V N 2.643 122.474 119.914 -0.138 0.000 2.922 379 V HA 0.422 4.542 4.120 -0.001 0.000 0.242 379 V C 0.348 176.388 176.094 -0.090 0.000 1.094 379 V CA 0.239 62.438 62.300 -0.169 0.000 1.106 379 V CB -0.107 31.566 31.823 -0.249 0.000 0.799 379 V HN 0.839 nan 8.190 nan 0.000 0.474 380 I N 1.219 121.736 120.570 -0.089 0.000 2.321 380 I HA 0.472 4.641 4.170 -0.001 0.000 0.291 380 I C -1.739 174.351 176.117 -0.045 0.000 0.998 380 I CA -2.465 58.791 61.300 -0.072 0.000 1.227 380 I CB 1.736 39.682 38.000 -0.091 0.000 1.368 380 I HN 0.059 nan 8.210 nan 0.000 0.466 381 P HA -0.107 nan 4.420 nan 0.000 0.225 381 P C 0.734 178.018 177.300 -0.027 0.000 1.148 381 P CA 0.968 64.043 63.100 -0.042 0.000 0.779 381 P CB 0.302 31.964 31.700 -0.062 0.000 0.780 382 E N 0.081 120.264 120.200 -0.029 0.000 2.110 382 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 382 E C 2.011 178.595 176.600 -0.027 0.000 0.988 382 E CA 1.400 57.782 56.400 -0.029 0.000 0.804 382 E CB -0.983 28.702 29.700 -0.026 0.000 0.745 382 E HN 0.192 nan 8.360 nan 0.000 0.458 383 A N 0.496 123.309 122.820 -0.012 0.000 2.206 383 A HA 0.030 4.349 4.320 -0.001 0.000 0.211 383 A C 0.432 178.029 177.584 0.022 0.000 1.158 383 A CA 0.021 52.062 52.037 0.006 0.000 0.761 383 A CB -0.233 18.779 19.000 0.020 0.000 0.801 383 A HN 0.075 nan 8.150 nan 0.000 0.473 384 L N 1.000 122.237 121.223 0.024 0.000 2.462 384 L HA 0.144 4.484 4.340 -0.001 0.000 0.272 384 L C 0.703 177.554 176.870 -0.031 0.000 1.166 384 L CA 0.142 55.008 54.840 0.043 0.000 0.880 384 L CB -0.087 42.011 42.059 0.065 0.000 1.142 384 L HN 0.402 nan 8.230 nan 0.000 0.473 385 E N 3.670 123.853 120.200 -0.029 0.000 2.481 385 E HA 0.121 4.470 4.350 -0.001 0.000 0.263 385 E C -0.597 175.887 176.600 -0.194 0.000 0.992 385 E CA 0.386 56.702 56.400 -0.139 0.000 0.938 385 E CB 0.416 30.104 29.700 -0.019 0.000 0.933 385 E HN 0.386 nan 8.360 nan 0.000 0.453 386 R N 3.657 123.938 120.500 -0.365 0.000 2.512 386 R HA 0.252 4.592 4.340 -0.001 0.000 0.291 386 R C -1.593 174.451 176.300 -0.426 0.000 1.097 386 R CA -0.570 55.364 56.100 -0.277 0.000 0.940 386 R CB 0.995 31.182 30.300 -0.189 0.000 1.198 386 R HN 0.494 nan 8.270 nan 0.000 0.429 387 W N 3.583 124.857 121.300 -0.043 0.000 2.570 387 W HA 0.432 5.092 4.660 -0.001 0.000 0.337 387 W C -2.052 174.419 176.519 -0.080 0.000 1.067 387 W CA -2.211 55.097 57.345 -0.063 0.000 1.229 387 W CB 1.252 30.668 29.460 -0.075 0.000 1.355 387 W HN 0.279 nan 8.180 nan 0.000 0.555 388 P HA -0.098 nan 4.420 nan 0.000 0.268 388 P C 0.835 178.111 177.300 -0.041 0.000 1.204 388 P CA 0.226 63.332 63.100 0.010 0.000 0.768 388 P CB 0.759 32.404 31.700 -0.093 0.000 0.842 389 V N 2.162 122.079 119.914 0.004 0.000 2.515 389 V HA -0.252 3.868 4.120 -0.001 0.000 0.250 389 V C 1.842 177.927 176.094 -0.016 0.000 1.058 389 V CA 2.217 64.510 62.300 -0.011 0.000 1.064 389 V CB -1.975 29.884 31.823 0.059 0.000 0.675 389 V HN 0.665 nan 8.190 nan 0.000 0.461 390 H N -0.581 118.520 119.070 0.052 0.000 2.524 390 H HA 0.084 4.640 4.556 -0.001 0.000 0.282 390 H C 1.903 177.257 175.328 0.043 0.000 1.016 390 H CA 1.708 57.785 56.048 0.049 0.000 1.270 390 H CB -0.340 29.455 29.762 0.055 0.000 1.394 390 H HN 0.457 nan 8.280 nan 0.000 0.568 391 L N -0.184 120.691 121.223 -0.581 0.000 2.034 391 L HA -0.081 4.258 4.340 -0.001 0.000 0.203 391 L C 2.128 178.882 176.870 -0.193 0.000 1.074 391 L CA 0.661 55.292 54.840 -0.349 0.000 0.748 391 L CB -0.260 41.654 42.059 -0.242 0.000 0.905 391 L HN 0.318 nan 8.230 nan 0.000 0.439 392 L N 0.281 121.401 121.223 -0.172 0.000 1.997 392 L HA -0.309 4.030 4.340 -0.001 0.000 0.216 392 L C 2.523 179.297 176.870 -0.161 0.000 1.074 392 L CA 2.280 57.008 54.840 -0.187 0.000 0.763 392 L CB -1.294 40.662 42.059 -0.171 0.000 0.890 392 L HN 0.547 nan 8.230 nan 0.000 0.434 393 E N -1.176 118.966 120.200 -0.098 0.000 2.418 393 E HA -0.152 4.197 4.350 -0.001 0.000 0.197 393 E C 1.685 178.287 176.600 0.004 0.000 1.026 393 E CA 1.205 57.576 56.400 -0.048 0.000 0.862 393 E CB 0.266 29.972 29.700 0.009 0.000 0.799 393 E HN 0.390 nan 8.360 nan 0.000 0.518 394 T N 1.172 115.736 114.554 0.017 0.000 2.837 394 T HA 0.022 4.371 4.350 -0.001 0.000 0.248 394 T C 1.837 176.568 174.700 0.052 0.000 1.033 394 T CA 0.995 63.152 62.100 0.095 0.000 1.150 394 T CB -0.041 68.912 68.868 0.141 0.000 0.865 394 T HN 0.371 nan 8.240 nan 0.000 0.425 395 L N -1.011 120.129 121.223 -0.138 0.000 2.249 395 L HA 0.374 4.713 4.340 -0.001 0.000 0.207 395 L C 0.362 177.116 176.870 -0.193 0.000 1.090 395 L CA 0.771 55.395 54.840 -0.359 0.000 0.802 395 L CB -0.075 41.633 42.059 -0.585 0.000 0.947 395 L HN 0.078 nan 8.230 nan 0.000 0.453 396 L N 2.578 123.636 121.223 -0.275 0.000 2.959 396 L HA 0.391 4.730 4.340 -0.001 0.000 0.236 396 L C -1.434 175.189 176.870 -0.411 0.000 1.296 396 L CA -2.015 52.555 54.840 -0.449 0.000 1.047 396 L CB 0.261 41.939 42.059 -0.636 0.000 1.395 396 L HN -0.034 nan 8.230 nan 0.000 0.492 397 P HA -0.253 nan 4.420 nan 0.000 0.215 397 P C 1.573 178.669 177.300 -0.340 0.000 1.157 397 P CA 1.217 64.165 63.100 -0.253 0.000 0.874 397 P CB 0.452 32.083 31.700 -0.114 0.000 0.790 398 R N -0.625 119.505 120.500 -0.617 0.000 2.115 398 R HA -0.124 4.215 4.340 -0.001 0.000 0.230 398 R C 2.567 178.626 176.300 -0.402 0.000 1.111 398 R CA 1.408 57.204 56.100 -0.507 0.000 0.976 398 R CB -1.292 28.596 30.300 -0.686 0.000 0.870 398 R HN 0.326 nan 8.270 nan 0.000 0.445 399 H N -0.449 118.302 119.070 -0.532 0.000 2.462 399 H HA -0.058 4.498 4.556 -0.001 0.000 0.292 399 H C 1.685 176.836 175.328 -0.296 0.000 1.049 399 H CA 1.283 57.096 56.048 -0.390 0.000 1.334 399 H CB 0.203 29.683 29.762 -0.471 0.000 1.404 399 H HN 0.192 nan 8.280 nan 0.000 0.544 400 L N 1.101 122.199 121.223 -0.209 0.000 2.217 400 L HA -0.133 4.206 4.340 -0.001 0.000 0.211 400 L C 1.817 178.538 176.870 -0.249 0.000 1.107 400 L CA 1.202 55.865 54.840 -0.295 0.000 0.783 400 L CB -0.275 41.612 42.059 -0.287 0.000 0.919 400 L HN 0.254 nan 8.230 nan 0.000 0.442 401 Q N -0.107 119.630 119.800 -0.105 0.000 2.046 401 Q HA -0.144 4.195 4.340 -0.001 0.000 0.200 401 Q C 2.283 178.295 176.000 0.019 0.000 0.975 401 Q CA 1.722 57.541 55.803 0.027 0.000 0.836 401 Q CB 0.083 28.820 28.738 -0.000 0.000 0.896 401 Q HN 0.523 nan 8.270 nan 0.000 0.428 402 I N 0.314 120.850 120.570 -0.056 0.000 2.226 402 I HA -0.269 3.901 4.170 -0.001 0.000 0.245 402 I C 1.979 178.107 176.117 0.018 0.000 1.100 402 I CA 1.176 62.478 61.300 0.004 0.000 1.374 402 I CB -0.256 37.663 38.000 -0.135 0.000 1.057 402 I HN 0.282 nan 8.210 nan 0.000 0.413 403 I N -0.536 119.999 120.570 -0.059 0.000 2.493 403 I HA -0.287 3.883 4.170 -0.001 0.000 0.254 403 I C 2.350 178.478 176.117 0.018 0.000 1.160 403 I CA 1.133 62.400 61.300 -0.056 0.000 1.445 403 I CB -0.332 37.588 38.000 -0.134 0.000 1.086 403 I HN 0.159 nan 8.210 nan 0.000 0.433 404 Y N 0.853 121.138 120.300 -0.025 0.000 2.263 404 Y HA -0.189 4.360 4.550 -0.001 0.000 0.292 404 Y C 2.613 178.468 175.900 -0.076 0.000 1.130 404 Y CA 1.216 59.297 58.100 -0.032 0.000 1.179 404 Y CB -0.527 37.913 38.460 -0.033 0.000 0.998 404 Y HN 0.153 nan 8.280 nan 0.000 0.532 405 E N 0.361 120.585 120.200 0.040 0.000 2.072 405 E HA -0.096 4.253 4.350 -0.001 0.000 0.190 405 E C 2.059 178.508 176.600 -0.251 0.000 0.982 405 E CA 1.023 57.314 56.400 -0.181 0.000 0.803 405 E CB -0.503 29.026 29.700 -0.286 0.000 0.755 405 E HN 0.437 nan 8.360 nan 0.000 0.453 406 I N 0.960 121.462 120.570 -0.114 0.000 2.151 406 I HA -0.335 3.835 4.170 -0.001 0.000 0.243 406 I C 2.329 178.390 176.117 -0.094 0.000 1.080 406 I CA 1.563 62.744 61.300 -0.198 0.000 1.339 406 I CB -0.524 37.342 38.000 -0.224 0.000 1.039 406 I HN 0.237 nan 8.210 nan 0.000 0.409 407 N N 0.859 119.577 118.700 0.029 0.000 2.018 407 N HA -0.310 4.429 4.740 -0.001 0.000 0.196 407 N C 1.887 177.480 175.510 0.138 0.000 1.043 407 N CA 2.046 55.190 53.050 0.156 0.000 0.856 407 N CB -0.265 38.332 38.487 0.183 0.000 1.042 407 N HN 0.330 nan 8.380 nan 0.000 0.423 408 Q N -0.135 119.683 119.800 0.029 0.000 2.014 408 Q HA -0.205 4.134 4.340 -0.001 0.000 0.207 408 Q C 2.104 178.085 176.000 -0.032 0.000 0.993 408 Q CA 1.697 57.483 55.803 -0.027 0.000 0.850 408 Q CB -0.072 28.606 28.738 -0.100 0.000 0.916 408 Q HN 0.392 nan 8.270 nan 0.000 0.417 409 R N -0.448 120.000 120.500 -0.086 0.000 2.105 409 R HA -0.169 4.171 4.340 -0.001 0.000 0.239 409 R C 2.241 178.596 176.300 0.091 0.000 1.135 409 R CA 1.349 57.412 56.100 -0.063 0.000 0.967 409 R CB -0.680 29.510 30.300 -0.184 0.000 0.861 409 R HN 0.357 nan 8.270 nan 0.000 0.442 410 F N 1.693 121.643 119.950 0.001 0.000 2.171 410 F HA -0.095 4.431 4.527 -0.001 0.000 0.300 410 F C 1.967 177.820 175.800 0.090 0.000 1.090 410 F CA 1.209 59.266 58.000 0.094 0.000 1.293 410 F CB -0.257 38.832 39.000 0.147 0.000 1.013 410 F HN -0.113 nan 8.300 nan 0.000 0.486 411 L N -0.385 120.808 121.223 -0.049 0.000 2.240 411 L HA -0.139 4.201 4.340 -0.001 0.000 0.211 411 L C 1.888 178.676 176.870 -0.137 0.000 1.106 411 L CA 1.113 55.848 54.840 -0.176 0.000 0.793 411 L CB -0.816 41.222 42.059 -0.035 0.000 0.927 411 L HN 0.181 nan 8.230 nan 0.000 0.446 412 N N 0.105 118.760 118.700 -0.076 0.000 2.106 412 N HA -0.142 4.597 4.740 -0.001 0.000 0.188 412 N C 1.911 177.379 175.510 -0.070 0.000 1.029 412 N CA 0.915 53.928 53.050 -0.062 0.000 0.848 412 N CB -0.042 38.419 38.487 -0.044 0.000 1.007 412 N HN 0.168 nan 8.380 nan 0.000 0.423 413 R N 0.535 121.001 120.500 -0.056 0.000 2.127 413 R HA -0.085 4.254 4.340 -0.001 0.000 0.238 413 R C 1.910 178.131 176.300 -0.132 0.000 1.134 413 R CA 0.913 56.986 56.100 -0.045 0.000 0.975 413 R CB -0.314 30.023 30.300 0.063 0.000 0.865 413 R HN 0.154 nan 8.270 nan 0.000 0.447 414 V N 0.450 120.206 119.914 -0.263 0.000 2.515 414 V HA -0.189 3.930 4.120 -0.001 0.000 0.250 414 V C 2.369 178.442 176.094 -0.034 0.000 1.058 414 V CA 1.814 64.010 62.300 -0.174 0.000 1.064 414 V CB -0.564 31.078 31.823 -0.301 0.000 0.675 414 V HN 0.371 nan 8.190 nan 0.000 0.461 415 A N 0.107 122.883 122.820 -0.074 0.000 1.929 415 A HA 0.012 4.332 4.320 -0.001 0.000 0.216 415 A C 2.418 179.959 177.584 -0.070 0.000 1.176 415 A CA 1.700 53.710 52.037 -0.044 0.000 0.628 415 A CB -0.611 18.359 19.000 -0.049 0.000 0.816 415 A HN 0.534 nan 8.150 nan 0.000 0.444 416 A N -0.206 122.557 122.820 -0.095 0.000 1.902 416 A HA 0.200 4.520 4.320 -0.001 0.000 0.217 416 A C 2.326 179.794 177.584 -0.194 0.000 1.181 416 A CA 1.909 53.882 52.037 -0.108 0.000 0.623 416 A CB -0.719 18.231 19.000 -0.084 0.000 0.818 416 A HN 1.042 nan 8.150 nan 0.000 0.443 417 A N -2.258 120.373 122.820 -0.314 0.000 2.178 417 A HA 0.484 4.804 4.320 -0.001 0.000 0.211 417 A C 0.049 176.936 177.584 -1.161 0.000 1.157 417 A CA 0.236 51.866 52.037 -0.678 0.000 0.780 417 A CB -0.082 18.423 19.000 -0.824 0.000 0.828 417 A HN 0.425 nan 8.150 nan 0.000 0.476 418 F N -0.559 119.351 119.950 -0.067 0.000 3.167 418 F HA 0.334 4.860 4.527 -0.001 0.000 0.389 418 F C -3.083 172.680 175.800 -0.061 0.000 1.233 418 F CA -2.438 55.524 58.000 -0.064 0.000 1.238 418 F CB 1.104 40.057 39.000 -0.078 0.000 1.971 418 F HN -0.129 nan 8.300 nan 0.000 0.651 419 P HA 0.364 nan 4.420 nan 0.000 0.282 419 P C 0.882 178.201 177.300 0.031 0.000 1.274 419 P CA 0.482 63.592 63.100 0.016 0.000 0.770 419 P CB 1.255 32.946 31.700 -0.015 0.000 0.867 420 G N 2.602 111.415 108.800 0.021 0.000 2.175 420 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.244 420 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.244 420 G C 0.183 175.088 174.900 0.008 0.000 0.982 420 G CA -0.258 44.847 45.100 0.009 0.000 0.641 420 G HN 0.593 nan 8.290 nan 0.000 0.527 421 D N 1.245 121.658 120.400 0.022 0.000 2.416 421 D HA 0.403 5.042 4.640 -0.001 0.000 0.240 421 D C 1.670 177.954 176.300 -0.026 0.000 1.250 421 D CA 0.180 54.173 54.000 -0.012 0.000 0.967 421 D CB 0.887 41.669 40.800 -0.030 0.000 1.059 421 D HN 0.080 nan 8.370 nan 0.000 0.512 422 V N 3.323 123.222 119.914 -0.025 0.000 2.379 422 V HA -0.161 3.958 4.120 -0.001 0.000 0.245 422 V C 2.203 178.276 176.094 -0.034 0.000 1.044 422 V CA 1.139 63.424 62.300 -0.025 0.000 1.036 422 V CB -0.236 31.575 31.823 -0.019 0.000 0.664 422 V HN 0.534 nan 8.190 nan 0.000 0.453 423 D N -0.041 120.335 120.400 -0.039 0.000 2.221 423 D HA -0.207 4.433 4.640 -0.001 0.000 0.204 423 D C 2.320 178.579 176.300 -0.068 0.000 0.982 423 D CA 1.210 55.183 54.000 -0.044 0.000 0.857 423 D CB 0.007 40.781 40.800 -0.045 0.000 0.934 423 D HN 0.318 nan 8.370 nan 0.000 0.475 424 R N -0.220 120.220 120.500 -0.101 0.000 2.082 424 R HA -0.103 4.236 4.340 -0.001 0.000 0.234 424 R C 2.544 178.772 176.300 -0.120 0.000 1.136 424 R CA 0.846 56.851 56.100 -0.158 0.000 0.935 424 R CB -0.290 29.885 30.300 -0.209 0.000 0.842 424 R HN 0.190 nan 8.270 nan 0.000 0.430 425 L N 0.909 122.084 121.223 -0.081 0.000 2.051 425 L HA -0.245 4.095 4.340 -0.001 0.000 0.214 425 L C 2.393 179.256 176.870 -0.013 0.000 1.076 425 L CA 1.983 56.790 54.840 -0.055 0.000 0.758 425 L CB -0.826 41.210 42.059 -0.037 0.000 0.890 425 L HN 0.346 nan 8.230 nan 0.000 0.433 426 R N -0.636 119.861 120.500 -0.005 0.000 2.210 426 R HA -0.021 4.318 4.340 -0.001 0.000 0.203 426 R C 2.037 178.369 176.300 0.054 0.000 1.010 426 R CA 0.525 56.645 56.100 0.033 0.000 1.008 426 R CB -0.738 29.576 30.300 0.023 0.000 0.923 426 R HN 0.146 nan 8.270 nan 0.000 0.469 427 R N 0.112 120.617 120.500 0.009 0.000 2.092 427 R HA 0.138 4.478 4.340 -0.001 0.000 0.231 427 R C 1.970 178.298 176.300 0.047 0.000 1.119 427 R CA 1.780 57.892 56.100 0.021 0.000 0.970 427 R CB -0.168 30.101 30.300 -0.052 0.000 0.864 427 R HN 0.291 nan 8.270 nan 0.000 0.440 428 M N -0.290 119.277 119.600 -0.054 0.000 2.394 428 M HA 0.014 4.494 4.480 -0.001 0.000 0.266 428 M C 1.055 177.527 176.300 0.286 0.000 1.098 428 M CA 0.162 55.387 55.300 -0.124 0.000 1.149 428 M CB 0.187 32.591 32.600 -0.326 0.000 1.369 428 M HN -0.050 nan 8.290 nan 0.000 0.450 429 S N 0.694 116.577 115.700 0.305 0.000 2.525 429 S HA -0.087 4.382 4.470 -0.001 0.000 0.282 429 S C 1.160 176.050 174.600 0.482 0.000 1.324 429 S CA 0.103 58.526 58.200 0.371 0.000 1.025 429 S CB 0.418 63.762 63.200 0.239 0.000 0.820 429 S HN 0.294 nan 8.310 nan 0.000 0.514 430 L N 2.613 124.055 121.223 0.365 0.000 2.249 430 L HA 0.133 4.473 4.340 -0.001 0.000 0.207 430 L C 0.371 177.363 176.870 0.204 0.000 1.090 430 L CA 0.306 55.316 54.840 0.283 0.000 0.802 430 L CB -0.198 41.981 42.059 0.199 0.000 0.947 430 L HN 0.339 nan 8.230 nan 0.000 0.453 431 V N 0.999 121.043 119.914 0.216 0.000 2.432 431 V HA 0.125 4.244 4.120 -0.001 0.000 0.271 431 V C -0.006 176.181 176.094 0.155 0.000 1.046 431 V CA -0.309 62.103 62.300 0.187 0.000 0.945 431 V CB 1.243 33.217 31.823 0.251 0.000 0.992 431 V HN 0.176 nan 8.190 nan 0.000 0.471 432 E N 3.758 124.027 120.200 0.115 0.000 2.113 432 E HA 0.316 4.666 4.350 -0.001 0.000 0.273 432 E C -0.586 176.059 176.600 0.075 0.000 0.924 432 E CA -0.631 55.823 56.400 0.090 0.000 0.764 432 E CB 0.972 30.704 29.700 0.053 0.000 1.104 432 E HN 0.631 nan 8.360 nan 0.000 0.406 433 E N 1.747 121.988 120.200 0.068 0.000 2.343 433 E HA 0.523 4.872 4.350 -0.001 0.000 0.269 433 E C 0.286 176.910 176.600 0.041 0.000 1.047 433 E CA -0.282 56.150 56.400 0.054 0.000 0.874 433 E CB 1.754 31.481 29.700 0.045 0.000 1.033 433 E HN 0.743 nan 8.360 nan 0.000 0.409 434 G N -0.114 108.707 108.800 0.036 0.000 2.356 434 G HA2 0.383 4.342 3.960 -0.001 0.000 0.281 434 G HA3 0.383 4.342 3.960 -0.001 0.000 0.281 434 G C -1.443 173.472 174.900 0.025 0.000 1.246 434 G CA -0.268 44.847 45.100 0.025 0.000 0.889 434 G HN 0.511 nan 8.290 nan 0.000 0.486 435 A N -0.006 122.825 122.820 0.018 0.000 2.475 435 A HA 0.640 4.960 4.320 -0.001 0.000 0.293 435 A C 0.658 178.259 177.584 0.028 0.000 1.252 435 A CA 0.727 52.775 52.037 0.018 0.000 0.920 435 A CB -0.980 18.025 19.000 0.009 0.000 1.125 435 A HN 2.238 nan 8.150 nan 0.000 0.528 436 V N 1.792 121.731 119.914 0.042 0.000 3.411 436 V HA -0.165 3.954 4.120 -0.001 0.000 0.484 436 V C 0.417 176.549 176.094 0.063 0.000 0.682 436 V CA 1.052 63.392 62.300 0.066 0.000 2.023 436 V CB -1.106 30.763 31.823 0.077 0.000 2.468 436 V HN 1.106 nan 8.190 nan 0.000 0.502 437 K N 5.789 126.237 120.400 0.080 0.000 2.379 437 K HA 0.501 4.820 4.320 -0.001 0.000 0.284 437 K C 0.172 176.825 176.600 0.088 0.000 1.044 437 K CA -0.360 55.979 56.287 0.087 0.000 0.974 437 K CB 0.698 33.261 32.500 0.104 0.000 0.962 437 K HN 0.657 nan 8.250 nan 0.000 0.474 438 R N 3.428 123.971 120.500 0.071 0.000 2.905 438 R HA 0.564 4.904 4.340 -0.001 0.000 0.260 438 R C -0.816 175.513 176.300 0.049 0.000 1.086 438 R CA -0.912 55.217 56.100 0.048 0.000 0.978 438 R CB 1.392 31.702 30.300 0.016 0.000 1.215 438 R HN 0.546 nan 8.270 nan 0.000 0.480 439 I N 1.173 121.763 120.570 0.034 0.000 2.465 439 I HA 0.227 4.397 4.170 -0.001 0.000 0.291 439 I C -0.696 175.422 176.117 0.002 0.000 1.014 439 I CA -0.790 60.530 61.300 0.033 0.000 1.093 439 I CB 1.933 39.949 38.000 0.027 0.000 1.267 439 I HN 0.385 nan 8.210 nan 0.000 0.431 440 N N 6.830 125.519 118.700 -0.018 0.000 2.439 440 N HA 0.194 4.934 4.740 -0.001 0.000 0.249 440 N C 0.455 175.919 175.510 -0.076 0.000 1.003 440 N CA -0.386 52.595 53.050 -0.115 0.000 0.942 440 N CB 1.248 39.550 38.487 -0.308 0.000 1.115 440 N HN 0.538 nan 8.380 nan 0.000 0.505 441 M N 2.382 121.946 119.600 -0.059 0.000 2.288 441 M HA 0.031 4.511 4.480 -0.001 0.000 0.266 441 M C 1.909 178.130 176.300 -0.133 0.000 1.072 441 M CA 0.647 55.920 55.300 -0.045 0.000 1.132 441 M CB -1.467 31.143 32.600 0.018 0.000 1.386 441 M HN 0.633 nan 8.290 nan 0.000 0.432 442 A N -0.644 122.119 122.820 -0.096 0.000 1.930 442 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 442 A C 1.916 179.437 177.584 -0.106 0.000 1.175 442 A CA 1.369 53.331 52.037 -0.125 0.000 0.627 442 A CB -1.215 17.933 19.000 0.246 0.000 0.815 442 A HN 0.606 nan 8.150 nan 0.000 0.443 443 H N -1.205 117.804 119.070 -0.101 0.000 2.489 443 H HA -0.010 4.546 4.556 -0.001 0.000 0.293 443 H C 2.001 177.182 175.328 -0.244 0.000 1.066 443 H CA 0.824 56.748 56.048 -0.207 0.000 1.305 443 H CB 0.016 29.847 29.762 0.115 0.000 1.386 443 H HN 0.423 nan 8.280 nan 0.000 0.551 444 L N -0.259 120.921 121.223 -0.072 0.000 2.068 444 L HA -0.159 4.180 4.340 -0.001 0.000 0.204 444 L C 2.221 178.986 176.870 -0.176 0.000 1.076 444 L CA 0.737 55.525 54.840 -0.086 0.000 0.753 444 L CB -0.133 41.890 42.059 -0.059 0.000 0.910 444 L HN 0.385 nan 8.230 nan 0.000 0.439 445 C N 0.047 119.144 119.300 -0.338 0.000 2.432 445 C HA -0.165 4.294 4.460 -0.001 0.000 0.277 445 C C 2.647 177.436 174.990 -0.336 0.000 1.249 445 C CA 0.527 59.277 59.018 -0.445 0.000 1.725 445 C CB -0.713 26.399 27.740 -1.047 0.000 2.028 445 C HN 0.482 nan 8.230 nan 0.000 0.477 446 I N 1.305 121.641 120.570 -0.390 0.000 2.361 446 I HA -0.202 3.967 4.170 -0.001 0.000 0.251 446 I C 2.732 178.668 176.117 -0.301 0.000 1.133 446 I CA 1.553 62.620 61.300 -0.388 0.000 1.413 446 I CB -0.619 37.002 38.000 -0.631 0.000 1.073 446 I HN 0.302 nan 8.210 nan 0.000 0.424 447 A N 0.695 123.316 122.820 -0.331 0.000 1.898 447 A HA -0.078 4.242 4.320 -0.001 0.000 0.216 447 A C 2.321 179.935 177.584 0.050 0.000 1.181 447 A CA 1.828 53.714 52.037 -0.252 0.000 0.620 447 A CB -1.043 17.765 19.000 -0.320 0.000 0.819 447 A HN 0.453 nan 8.150 nan 0.000 0.442 448 G N -1.159 107.650 108.800 0.015 0.000 2.939 448 G HA2 0.336 4.296 3.960 -0.001 0.000 0.210 448 G HA3 0.336 4.296 3.960 -0.001 0.000 0.210 448 G C 0.534 175.280 174.900 -0.257 0.000 1.160 448 G CA 0.683 45.743 45.100 -0.067 0.000 0.770 448 G HN 0.438 nan 8.290 nan 0.000 0.543 449 S N -0.328 115.248 115.700 -0.206 0.000 2.722 449 S HA 0.375 4.844 4.470 -0.001 0.000 0.292 449 S C 0.610 175.120 174.600 -0.150 0.000 1.135 449 S CA -0.503 57.560 58.200 -0.228 0.000 1.003 449 S CB 1.215 64.307 63.200 -0.180 0.000 1.067 449 S HN 0.542 nan 8.310 nan 0.000 0.546 450 H N -1.225 117.794 119.070 -0.085 0.000 2.526 450 H HA 0.706 5.261 4.556 -0.001 0.000 0.274 450 H C -0.122 175.196 175.328 -0.016 0.000 0.999 450 H CA -0.114 55.917 56.048 -0.029 0.000 1.157 450 H CB -0.251 29.503 29.762 -0.014 0.000 1.407 450 H HN 0.620 nan 8.280 nan 0.000 0.568 451 A N -0.145 122.746 122.820 0.117 0.000 2.594 451 A HA 0.597 4.917 4.320 -0.001 0.000 0.296 451 A C -1.879 175.625 177.584 -0.135 0.000 1.056 451 A CA -0.468 51.608 52.037 0.065 0.000 0.693 451 A CB 1.216 20.320 19.000 0.173 0.000 1.278 451 A HN 0.133 nan 8.150 nan 0.000 0.408 452 V N 3.879 123.617 119.914 -0.293 0.000 2.569 452 V HA 0.574 4.693 4.120 -0.001 0.000 0.301 452 V C -0.940 174.906 176.094 -0.413 0.000 1.044 452 V CA -0.667 61.337 62.300 -0.494 0.000 0.874 452 V CB 1.876 33.096 31.823 -1.004 0.000 1.002 452 V HN 1.060 nan 8.190 nan 0.000 0.424 453 N N 3.212 121.688 118.700 -0.373 0.000 2.284 453 N HA 0.670 5.409 4.740 -0.001 0.000 0.289 453 N C -0.317 174.981 175.510 -0.354 0.000 1.179 453 N CA -0.401 52.472 53.050 -0.295 0.000 0.774 453 N CB 2.932 41.247 38.487 -0.286 0.000 1.548 453 N HN 0.620 nan 8.380 nan 0.000 0.473 454 G N -0.883 107.712 108.800 -0.341 0.000 2.613 454 G HA2 0.472 4.431 3.960 -0.001 0.000 0.303 454 G HA3 0.472 4.431 3.960 -0.001 0.000 0.303 454 G C -0.698 173.988 174.900 -0.356 0.000 1.312 454 G CA -0.590 44.191 45.100 -0.532 0.000 1.036 454 G HN 0.379 nan 8.290 nan 0.000 0.513 455 V N 0.127 119.848 119.914 -0.321 0.000 2.909 455 V HA 0.643 4.762 4.120 -0.001 0.000 0.362 455 V C 0.274 176.411 176.094 0.072 0.000 1.356 455 V CA 0.730 63.007 62.300 -0.037 0.000 1.195 455 V CB -0.439 31.357 31.823 -0.044 0.000 1.256 455 V HN 1.275 nan 8.190 nan 0.000 0.567 456 A N -0.351 122.489 122.820 0.034 0.000 2.590 456 A HA 0.523 4.843 4.320 -0.001 0.000 0.294 456 A C 0.552 178.159 177.584 0.039 0.000 1.046 456 A CA -0.312 51.769 52.037 0.073 0.000 0.684 456 A CB 0.886 19.963 19.000 0.129 0.000 1.279 456 A HN 0.057 nan 8.150 nan 0.000 0.415 457 R N 0.540 121.062 120.500 0.036 0.000 2.103 457 R HA -0.173 4.166 4.340 -0.001 0.000 0.234 457 R C 1.836 178.144 176.300 0.014 0.000 1.132 457 R CA 2.402 58.512 56.100 0.016 0.000 0.925 457 R CB -0.351 29.964 30.300 0.024 0.000 0.842 457 R HN 0.805 nan 8.270 nan 0.000 0.430 458 I N 0.123 120.712 120.570 0.031 0.000 2.151 458 I HA -0.349 3.820 4.170 -0.001 0.000 0.243 458 I C 2.588 178.754 176.117 0.081 0.000 1.080 458 I CA 1.889 63.210 61.300 0.034 0.000 1.339 458 I CB -0.277 37.736 38.000 0.023 0.000 1.039 458 I HN 0.348 nan 8.210 nan 0.000 0.409 459 H N 0.277 119.340 119.070 -0.012 0.000 2.326 459 H HA -0.071 4.484 4.556 -0.001 0.000 0.301 459 H C 2.238 177.569 175.328 0.004 0.000 1.081 459 H CA 2.032 58.078 56.048 -0.004 0.000 1.334 459 H CB -0.351 29.410 29.762 -0.001 0.000 1.385 459 H HN 0.267 nan 8.280 nan 0.000 0.504 460 S N 0.641 116.281 115.700 -0.101 0.000 2.453 460 S HA -0.075 4.395 4.470 -0.001 0.000 0.231 460 S C 1.885 176.450 174.600 -0.058 0.000 1.005 460 S CA 0.695 58.812 58.200 -0.139 0.000 0.949 460 S CB 0.106 63.222 63.200 -0.139 0.000 0.774 460 S HN 0.380 nan 8.310 nan 0.000 0.510 461 E N 2.095 122.271 120.200 -0.041 0.000 2.031 461 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 461 E C 2.101 178.661 176.600 -0.068 0.000 0.994 461 E CA 1.150 57.508 56.400 -0.069 0.000 0.800 461 E CB -0.476 29.198 29.700 -0.042 0.000 0.752 461 E HN 0.734 nan 8.360 nan 0.000 0.447 462 I N -1.812 118.757 120.570 -0.003 0.000 2.676 462 I HA -0.129 4.040 4.170 -0.001 0.000 0.259 462 I C 2.162 178.299 176.117 0.034 0.000 1.194 462 I CA 0.790 62.093 61.300 0.006 0.000 1.473 462 I CB -0.389 37.627 38.000 0.028 0.000 1.096 462 I HN -0.032 nan 8.210 nan 0.000 0.443 463 L N 1.080 122.367 121.223 0.107 0.000 2.191 463 L HA -0.128 4.211 4.340 -0.001 0.000 0.212 463 L C 2.598 179.564 176.870 0.159 0.000 1.103 463 L CA 1.552 56.550 54.840 0.264 0.000 0.769 463 L CB -0.469 41.821 42.059 0.386 0.000 0.908 463 L HN 0.354 nan 8.230 nan 0.000 0.438 464 K N -0.053 120.269 120.400 -0.130 0.000 2.099 464 K HA -0.076 4.244 4.320 -0.001 0.000 0.203 464 K C 2.096 178.533 176.600 -0.271 0.000 1.047 464 K CA 0.780 56.766 56.287 -0.502 0.000 0.963 464 K CB 0.100 32.043 32.500 -0.929 0.000 0.759 464 K HN 0.195 nan 8.250 nan 0.000 0.451 465 K N 0.142 120.446 120.400 -0.161 0.000 2.076 465 K HA -0.073 4.247 4.320 -0.001 0.000 0.204 465 K C 2.216 178.791 176.600 -0.043 0.000 1.051 465 K CA 1.840 58.079 56.287 -0.080 0.000 0.949 465 K CB 0.129 32.591 32.500 -0.063 0.000 0.726 465 K HN 0.267 nan 8.250 nan 0.000 0.443 466 T N -1.989 112.540 114.554 -0.041 0.000 3.221 466 T HA 0.133 4.483 4.350 -0.001 0.000 0.250 466 T C 1.893 176.558 174.700 -0.058 0.000 0.988 466 T CA -0.188 61.888 62.100 -0.041 0.000 1.163 466 T CB -0.354 68.488 68.868 -0.044 0.000 1.098 466 T HN -0.043 nan 8.240 nan 0.000 0.422 467 I N 0.143 120.650 120.570 -0.105 0.000 2.252 467 I HA 0.161 4.331 4.170 -0.001 0.000 0.245 467 I C 1.022 176.927 176.117 -0.353 0.000 1.102 467 I CA 1.239 62.376 61.300 -0.273 0.000 1.385 467 I CB -0.113 37.673 38.000 -0.356 0.000 1.064 467 I HN 0.179 nan 8.210 nan 0.000 0.414 468 F N 0.904 120.987 119.950 0.221 0.000 2.791 468 F HA 0.186 4.713 4.527 -0.001 0.000 0.308 468 F C 1.695 177.658 175.800 0.271 0.000 1.138 468 F CA -0.646 57.592 58.000 0.396 0.000 1.294 468 F CB -0.245 39.099 39.000 0.573 0.000 0.975 468 F HN -0.049 nan 8.300 nan 0.000 0.512 469 K N -0.827 119.687 120.400 0.190 0.000 2.211 469 K HA -0.107 4.213 4.320 -0.001 0.000 0.203 469 K C 1.067 177.707 176.600 0.067 0.000 1.050 469 K CA 1.601 57.952 56.287 0.106 0.000 0.945 469 K CB -0.107 32.414 32.500 0.035 0.000 0.732 469 K HN 0.104 nan 8.250 nan 0.000 0.451 470 D N 0.438 120.823 120.400 -0.025 0.000 2.178 470 D HA -0.077 4.563 4.640 -0.001 0.000 0.202 470 D C 1.596 177.820 176.300 -0.126 0.000 0.974 470 D CA 1.070 54.942 54.000 -0.214 0.000 0.841 470 D CB -0.026 40.529 40.800 -0.408 0.000 0.953 470 D HN 0.234 nan 8.370 nan 0.000 0.478 471 F N -0.287 119.769 119.950 0.176 0.000 2.270 471 F HA -0.084 4.442 4.527 -0.001 0.000 0.295 471 F C 2.244 178.181 175.800 0.228 0.000 1.087 471 F CA 0.247 58.430 58.000 0.305 0.000 1.365 471 F CB -0.751 38.525 39.000 0.459 0.000 1.056 471 F HN -0.062 nan 8.300 nan 0.000 0.506 472 Y N 1.353 121.649 120.300 -0.007 0.000 2.274 472 Y HA -0.182 4.368 4.550 -0.001 0.000 0.290 472 Y C 2.103 177.938 175.900 -0.108 0.000 1.145 472 Y CA 1.513 59.355 58.100 -0.430 0.000 1.203 472 Y CB -0.530 37.503 38.460 -0.712 0.000 0.984 472 Y HN 0.151 nan 8.280 nan 0.000 0.533 473 E N -0.466 119.661 120.200 -0.122 0.000 2.107 473 E HA -0.165 4.185 4.350 -0.001 0.000 0.191 473 E C 2.169 178.801 176.600 0.052 0.000 0.982 473 E CA 0.878 57.209 56.400 -0.115 0.000 0.809 473 E CB -0.231 29.430 29.700 -0.064 0.000 0.756 473 E HN 0.398 nan 8.360 nan 0.000 0.459 474 L N 0.852 122.180 121.223 0.175 0.000 2.179 474 L HA 0.003 4.342 4.340 -0.001 0.000 0.208 474 L C -0.038 176.909 176.870 0.129 0.000 1.096 474 L CA 1.613 56.624 54.840 0.284 0.000 0.779 474 L CB 0.121 42.407 42.059 0.378 0.000 0.922 474 L HN -0.002 nan 8.230 nan 0.000 0.443 475 E N 0.573 120.808 120.200 0.059 0.000 2.761 475 E HA 0.193 4.543 4.350 -0.001 0.000 0.266 475 E C -1.930 174.543 176.600 -0.211 0.000 1.097 475 E CA -1.287 55.005 56.400 -0.180 0.000 0.773 475 E CB 1.405 31.005 29.700 -0.166 0.000 1.453 475 E HN 0.156 nan 8.360 nan 0.000 0.388 476 P HA -0.184 nan 4.420 nan 0.000 0.225 476 P C 1.027 178.402 177.300 0.125 0.000 1.156 476 P CA 1.085 63.964 63.100 -0.368 0.000 0.787 476 P CB 0.162 31.507 31.700 -0.592 0.000 0.802 477 H N 1.726 120.887 119.070 0.151 0.000 2.251 477 H HA -0.096 4.460 4.556 -0.001 0.000 0.294 477 H C 1.707 177.161 175.328 0.210 0.000 1.078 477 H CA 1.156 57.294 56.048 0.151 0.000 1.246 477 H CB -1.470 28.347 29.762 0.092 0.000 1.358 477 H HN 0.076 nan 8.280 nan 0.000 0.488 478 K N 0.819 121.365 120.400 0.243 0.000 2.117 478 K HA -0.189 4.131 4.320 -0.001 0.000 0.215 478 K C 0.405 177.088 176.600 0.138 0.000 1.053 478 K CA 1.186 57.573 56.287 0.167 0.000 0.935 478 K CB -0.503 32.020 32.500 0.039 0.000 0.719 478 K HN 0.119 nan 8.250 nan 0.000 0.460 479 F N 1.632 121.655 119.950 0.122 0.000 2.420 479 F HA 0.134 4.661 4.527 -0.001 0.000 0.352 479 F C 0.843 176.654 175.800 0.019 0.000 1.108 479 F CA -0.109 57.933 58.000 0.069 0.000 1.162 479 F CB 0.840 39.913 39.000 0.122 0.000 1.118 479 F HN 0.012 nan 8.300 nan 0.000 0.510 480 Q N 1.712 121.555 119.800 0.072 0.000 2.668 480 Q HA 0.435 4.774 4.340 -0.001 0.000 0.298 480 Q C -1.183 174.763 176.000 -0.091 0.000 1.071 480 Q CA -1.323 54.468 55.803 -0.020 0.000 0.789 480 Q CB 2.582 31.264 28.738 -0.093 0.000 1.497 480 Q HN 0.566 nan 8.270 nan 0.000 0.460 481 N N 0.217 118.844 118.700 -0.122 0.000 2.335 481 N HA 0.287 5.026 4.740 -0.001 0.000 0.304 481 N C -1.368 174.012 175.510 -0.218 0.000 1.135 481 N CA -0.379 52.583 53.050 -0.148 0.000 0.817 481 N CB 1.262 39.694 38.487 -0.092 0.000 1.294 481 N HN 0.353 nan 8.380 nan 0.000 0.497 482 K N 2.240 122.508 120.400 -0.220 0.000 2.987 482 K HA 0.139 4.458 4.320 -0.001 0.000 0.224 482 K C -1.094 175.496 176.600 -0.017 0.000 1.209 482 K CA -0.418 55.706 56.287 -0.273 0.000 0.971 482 K CB 0.501 32.547 32.500 -0.757 0.000 1.252 482 K HN 0.549 nan 8.250 nan 0.000 0.580 483 T N 2.342 116.921 114.554 0.041 0.000 2.849 483 T HA -0.002 4.347 4.350 -0.001 0.000 0.289 483 T C 0.607 175.435 174.700 0.213 0.000 1.010 483 T CA 0.360 62.535 62.100 0.124 0.000 1.161 483 T CB -0.011 68.946 68.868 0.147 0.000 0.989 483 T HN 0.158 nan 8.240 nan 0.000 0.523 484 N N 2.293 121.103 118.700 0.183 0.000 2.412 484 N HA 0.329 5.068 4.740 -0.001 0.000 0.258 484 N C 0.409 176.011 175.510 0.153 0.000 1.236 484 N CA 0.385 53.547 53.050 0.186 0.000 0.882 484 N CB 0.786 39.321 38.487 0.080 0.000 1.066 484 N HN 0.862 nan 8.380 nan 0.000 0.465 485 G N 0.813 109.746 108.800 0.222 0.000 2.696 485 G HA2 0.546 4.505 3.960 -0.001 0.000 0.295 485 G HA3 0.546 4.505 3.960 -0.001 0.000 0.295 485 G C -0.419 174.588 174.900 0.180 0.000 1.398 485 G CA -0.521 44.703 45.100 0.207 0.000 0.920 485 G HN 0.380 nan 8.290 nan 0.000 0.492 486 I N 0.176 120.829 120.570 0.139 0.000 3.004 486 I HA 0.376 4.545 4.170 -0.001 0.000 0.287 486 I C 1.247 177.546 176.117 0.304 0.000 1.144 486 I CA 0.239 61.641 61.300 0.169 0.000 1.353 486 I CB 1.675 39.719 38.000 0.074 0.000 1.417 486 I HN 0.405 nan 8.210 nan 0.000 0.602 487 T N 5.115 119.939 114.554 0.450 0.000 2.867 487 T HA 0.407 4.757 4.350 -0.001 0.000 0.282 487 T C -1.750 173.049 174.700 0.166 0.000 1.000 487 T CA -1.891 60.337 62.100 0.213 0.000 1.042 487 T CB 1.341 70.257 68.868 0.081 0.000 0.973 487 T HN 0.423 nan 8.240 nan 0.000 0.465 488 P HA 0.027 nan 4.420 nan 0.000 0.222 488 P C 1.142 178.354 177.300 -0.146 0.000 1.153 488 P CA 0.510 63.587 63.100 -0.039 0.000 0.798 488 P CB 0.434 32.072 31.700 -0.103 0.000 0.796 489 R N 0.741 121.118 120.500 -0.204 0.000 2.151 489 R HA -0.093 4.247 4.340 -0.001 0.000 0.220 489 R C 2.757 178.914 176.300 -0.239 0.000 1.120 489 R CA 2.000 57.960 56.100 -0.234 0.000 0.882 489 R CB -1.496 28.686 30.300 -0.197 0.000 0.806 489 R HN 0.033 nan 8.270 nan 0.000 0.440 490 R N -0.545 119.738 120.500 -0.362 0.000 2.117 490 R HA -0.170 4.169 4.340 -0.001 0.000 0.243 490 R C 1.587 177.439 176.300 -0.747 0.000 1.143 490 R CA 2.042 57.744 56.100 -0.664 0.000 0.968 490 R CB -0.289 29.384 30.300 -1.044 0.000 0.863 490 R HN 0.389 nan 8.270 nan 0.000 0.444 491 W N -0.560 120.688 121.300 -0.086 0.000 3.197 491 W HA 0.152 4.812 4.660 -0.001 0.000 0.274 491 W C 1.633 178.105 176.519 -0.079 0.000 1.297 491 W CA -0.670 56.620 57.345 -0.092 0.000 1.662 491 W CB 0.331 29.743 29.460 -0.080 0.000 1.106 491 W HN 0.150 nan 8.180 nan 0.000 0.663 492 L N -1.138 120.109 121.223 0.040 0.000 2.614 492 L HA 0.118 4.457 4.340 -0.001 0.000 0.185 492 L C 1.737 178.596 176.870 -0.017 0.000 1.098 492 L CA 0.746 55.601 54.840 0.026 0.000 0.852 492 L CB -0.769 41.309 42.059 0.033 0.000 1.213 492 L HN -0.204 nan 8.230 nan 0.000 0.491 493 V N 0.950 120.822 119.914 -0.071 0.000 2.283 493 V HA -0.247 3.872 4.120 -0.001 0.000 0.243 493 V C 2.669 178.728 176.094 -0.058 0.000 1.039 493 V CA 1.686 63.954 62.300 -0.054 0.000 1.016 493 V CB -0.353 31.422 31.823 -0.081 0.000 0.650 493 V HN 0.300 nan 8.190 nan 0.000 0.449 494 L N 0.450 121.607 121.223 -0.110 0.000 1.955 494 L HA -0.235 4.105 4.340 -0.001 0.000 0.213 494 L C 2.711 179.520 176.870 -0.102 0.000 1.072 494 L CA 2.625 57.392 54.840 -0.121 0.000 0.755 494 L CB -0.746 41.191 42.059 -0.204 0.000 0.888 494 L HN 0.641 nan 8.230 nan 0.000 0.432 495 C N -2.568 116.657 119.300 -0.125 0.000 2.450 495 C HA 0.053 4.512 4.460 -0.001 0.000 0.279 495 C C 1.334 176.304 174.990 -0.034 0.000 1.335 495 C CA -0.249 58.722 59.018 -0.079 0.000 1.749 495 C CB -0.965 26.734 27.740 -0.068 0.000 1.963 495 C HN 0.500 nan 8.230 nan 0.000 0.501 496 N N 1.467 120.156 118.700 -0.019 0.000 2.841 496 N HA 0.287 5.027 4.740 -0.001 0.000 0.257 496 N C -1.668 173.853 175.510 0.019 0.000 1.396 496 N CA -1.745 51.308 53.050 0.004 0.000 0.823 496 N CB 1.060 39.554 38.487 0.013 0.000 1.162 496 N HN 0.286 nan 8.380 nan 0.000 0.503 497 P HA -0.039 nan 4.420 nan 0.000 0.213 497 P C 1.347 178.672 177.300 0.042 0.000 1.170 497 P CA 1.146 64.261 63.100 0.025 0.000 0.889 497 P CB 0.238 31.947 31.700 0.016 0.000 0.782 498 G N 0.330 109.153 108.800 0.038 0.000 2.422 498 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.218 498 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.218 498 G C 1.703 176.636 174.900 0.055 0.000 1.146 498 G CA 0.411 45.537 45.100 0.045 0.000 0.769 498 G HN 0.245 nan 8.290 nan 0.000 0.547 499 L N 0.636 121.887 121.223 0.046 0.000 2.201 499 L HA 0.150 4.489 4.340 -0.001 0.000 0.212 499 L C 3.078 179.993 176.870 0.076 0.000 1.105 499 L CA 1.230 56.095 54.840 0.041 0.000 0.775 499 L CB -0.094 41.977 42.059 0.019 0.000 0.913 499 L HN 0.257 nan 8.230 nan 0.000 0.440 500 A N -0.783 122.100 122.820 0.104 0.000 1.968 500 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 500 A C 2.192 179.888 177.584 0.186 0.000 1.169 500 A CA 1.568 53.724 52.037 0.199 0.000 0.638 500 A CB -0.415 18.676 19.000 0.152 0.000 0.812 500 A HN 0.569 nan 8.150 nan 0.000 0.446 501 E N 0.506 120.773 120.200 0.112 0.000 2.006 501 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 501 E C 2.026 178.664 176.600 0.063 0.000 0.993 501 E CA 1.591 58.041 56.400 0.084 0.000 0.808 501 E CB -0.372 29.364 29.700 0.061 0.000 0.764 501 E HN 0.704 nan 8.360 nan 0.000 0.449 502 I N -0.840 119.781 120.570 0.083 0.000 2.264 502 I HA -0.238 3.931 4.170 -0.001 0.000 0.248 502 I C 2.284 178.485 176.117 0.140 0.000 1.111 502 I CA 1.321 62.694 61.300 0.123 0.000 1.382 502 I CB -0.389 37.754 38.000 0.238 0.000 1.060 502 I HN 0.146 nan 8.210 nan 0.000 0.418 503 I N 1.850 122.493 120.570 0.122 0.000 2.163 503 I HA -0.231 3.938 4.170 -0.001 0.000 0.240 503 I C 3.007 178.977 176.117 -0.244 0.000 1.081 503 I CA 1.499 62.791 61.300 -0.013 0.000 1.353 503 I CB -0.503 37.385 38.000 -0.187 0.000 1.054 503 I HN 0.341 nan 8.210 nan 0.000 0.407 504 A N 0.292 123.007 122.820 -0.174 0.000 2.019 504 A HA -0.204 4.116 4.320 -0.001 0.000 0.219 504 A C 2.113 179.648 177.584 -0.082 0.000 1.164 504 A CA 1.422 53.400 52.037 -0.099 0.000 0.644 504 A CB -0.549 18.545 19.000 0.157 0.000 0.805 504 A HN 0.461 nan 8.150 nan 0.000 0.449 505 E N -0.234 119.913 120.200 -0.088 0.000 2.033 505 E HA -0.235 4.115 4.350 -0.001 0.000 0.199 505 E C 2.116 178.617 176.600 -0.163 0.000 1.011 505 E CA 1.321 57.657 56.400 -0.107 0.000 0.815 505 E CB -0.251 29.370 29.700 -0.132 0.000 0.755 505 E HN 0.373 nan 8.360 nan 0.000 0.451 506 R N 0.379 120.698 120.500 -0.302 0.000 2.152 506 R HA -0.100 4.239 4.340 -0.001 0.000 0.232 506 R C 2.142 178.336 176.300 -0.178 0.000 1.117 506 R CA 1.123 57.006 56.100 -0.361 0.000 0.981 506 R CB -0.378 29.408 30.300 -0.856 0.000 0.870 506 R HN 0.468 nan 8.270 nan 0.000 0.451 507 I N -5.966 114.516 120.570 -0.148 0.000 4.453 507 I HA 0.479 4.648 4.170 -0.001 0.000 0.342 507 I C 0.412 176.523 176.117 -0.010 0.000 1.341 507 I CA 0.087 61.348 61.300 -0.065 0.000 1.217 507 I CB 1.363 39.319 38.000 -0.073 0.000 1.545 507 I HN 0.098 nan 8.210 nan 0.000 0.557 508 G N 1.514 110.323 108.800 0.014 0.000 2.373 508 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.634 508 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.634 508 G C -0.387 174.618 174.900 0.175 0.000 1.267 508 G CA 0.095 45.242 45.100 0.079 0.000 1.008 508 G HN 0.253 nan 8.290 nan 0.000 0.497 509 E N -0.840 119.469 120.200 0.182 0.000 2.539 509 E HA 0.182 4.532 4.350 -0.001 0.000 0.215 509 E C 1.736 178.431 176.600 0.157 0.000 0.965 509 E CA 0.394 56.923 56.400 0.214 0.000 1.019 509 E CB 0.269 30.062 29.700 0.155 0.000 1.059 509 E HN 0.578 nan 8.360 nan 0.000 0.496 510 E N -0.082 120.204 120.200 0.143 0.000 2.204 510 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 510 E C 1.644 178.291 176.600 0.078 0.000 0.990 510 E CA 1.132 57.590 56.400 0.096 0.000 0.821 510 E CB -0.202 29.551 29.700 0.088 0.000 0.750 510 E HN 0.429 nan 8.360 nan 0.000 0.477 511 Y N 1.049 121.349 120.300 0.000 0.000 2.151 511 Y HA -0.216 4.333 4.550 -0.001 0.000 0.284 511 Y C 1.806 177.675 175.900 -0.052 0.000 1.166 511 Y CA 1.373 59.463 58.100 -0.016 0.000 1.163 511 Y CB -0.487 37.969 38.460 -0.005 0.000 0.974 511 Y HN -0.074 nan 8.280 nan 0.000 0.511 512 I N -0.005 119.992 120.570 -0.954 0.000 2.916 512 I HA -0.164 4.005 4.170 -0.001 0.000 0.267 512 I C 2.126 177.942 176.117 -0.501 0.000 1.263 512 I CA 1.566 62.343 61.300 -0.873 0.000 1.471 512 I CB -0.328 37.104 38.000 -0.947 0.000 1.089 512 I HN 0.343 nan 8.210 nan 0.000 0.468 513 S N -1.100 114.425 115.700 -0.293 0.000 2.666 513 S HA 0.096 4.565 4.470 -0.001 0.000 0.239 513 S C 0.139 174.705 174.600 -0.056 0.000 1.031 513 S CA -0.320 57.789 58.200 -0.152 0.000 1.015 513 S CB 0.155 63.313 63.200 -0.069 0.000 0.981 513 S HN 0.330 nan 8.310 nan 0.000 0.547 514 D N 1.277 121.655 120.400 -0.037 0.000 2.527 514 D HA 0.122 4.762 4.640 -0.001 0.000 0.242 514 D C 0.387 176.719 176.300 0.053 0.000 1.285 514 D CA -0.225 53.787 54.000 0.019 0.000 0.886 514 D CB 0.814 41.639 40.800 0.043 0.000 1.402 514 D HN 0.214 nan 8.370 nan 0.000 0.528 515 L N 2.149 123.395 121.223 0.037 0.000 2.141 515 L HA 0.014 4.353 4.340 -0.001 0.000 0.209 515 L C 1.595 178.520 176.870 0.091 0.000 1.094 515 L CA 1.569 56.459 54.840 0.082 0.000 0.763 515 L CB -0.055 42.035 42.059 0.051 0.000 0.908 515 L HN 0.270 nan 8.230 nan 0.000 0.437 516 D N -0.874 119.552 120.400 0.043 0.000 2.378 516 D HA -0.146 4.493 4.640 -0.001 0.000 0.222 516 D C 1.909 178.233 176.300 0.040 0.000 0.980 516 D CA 0.389 54.401 54.000 0.020 0.000 0.907 516 D CB 0.196 40.990 40.800 -0.011 0.000 0.899 516 D HN 0.522 nan 8.370 nan 0.000 0.527 517 Q N -0.188 119.653 119.800 0.069 0.000 2.368 517 Q HA -0.105 4.235 4.340 -0.001 0.000 0.210 517 Q C 2.253 178.285 176.000 0.054 0.000 0.982 517 Q CA 0.329 56.173 55.803 0.070 0.000 0.884 517 Q CB 0.069 28.866 28.738 0.099 0.000 0.933 517 Q HN 0.387 nan 8.270 nan 0.000 0.460 518 L N 0.238 121.499 121.223 0.063 0.000 2.129 518 L HA -0.270 4.070 4.340 -0.001 0.000 0.212 518 L C 2.350 179.236 176.870 0.026 0.000 1.087 518 L CA 1.247 56.099 54.840 0.019 0.000 0.757 518 L CB -0.366 41.721 42.059 0.046 0.000 0.896 518 L HN 0.242 nan 8.230 nan 0.000 0.434 519 R N 0.139 120.659 120.500 0.034 0.000 2.154 519 R HA -0.235 4.104 4.340 -0.001 0.000 0.248 519 R C 2.180 178.524 176.300 0.074 0.000 1.155 519 R CA 1.547 57.671 56.100 0.041 0.000 0.979 519 R CB -0.334 29.982 30.300 0.026 0.000 0.869 519 R HN 0.444 nan 8.270 nan 0.000 0.452 520 K N 0.300 120.753 120.400 0.087 0.000 2.211 520 K HA -0.139 4.181 4.320 -0.001 0.000 0.204 520 K C 1.727 178.513 176.600 0.311 0.000 1.047 520 K CA 0.998 57.375 56.287 0.151 0.000 0.935 520 K CB -0.141 32.437 32.500 0.130 0.000 0.728 520 K HN 0.051 nan 8.250 nan 0.000 0.452 521 L N 1.002 122.369 121.223 0.240 0.000 2.450 521 L HA -0.145 4.194 4.340 -0.001 0.000 0.224 521 L C 1.903 179.051 176.870 0.463 0.000 1.149 521 L CA 0.782 55.839 54.840 0.361 0.000 0.816 521 L CB -0.513 41.629 42.059 0.139 0.000 0.932 521 L HN 0.160 nan 8.230 nan 0.000 0.449 522 L N -0.376 120.997 121.223 0.250 0.000 2.013 522 L HA -0.248 4.092 4.340 -0.001 0.000 0.212 522 L C 2.340 179.294 176.870 0.141 0.000 1.073 522 L CA 1.750 56.678 54.840 0.147 0.000 0.753 522 L CB -1.257 40.849 42.059 0.079 0.000 0.890 522 L HN 0.325 nan 8.230 nan 0.000 0.432 523 S N -1.109 114.655 115.700 0.107 0.000 2.559 523 S HA -0.175 4.295 4.470 -0.001 0.000 0.250 523 S C 0.823 175.204 174.600 -0.365 0.000 0.977 523 S CA 0.702 58.804 58.200 -0.163 0.000 0.958 523 S CB -0.499 62.524 63.200 -0.296 0.000 0.751 523 S HN 0.497 nan 8.310 nan 0.000 0.534 524 Y N -1.706 118.653 120.300 0.098 0.000 2.626 524 Y HA 0.330 4.879 4.550 -0.001 0.000 0.248 524 Y C 1.687 177.664 175.900 0.128 0.000 1.147 524 Y CA -0.868 57.317 58.100 0.142 0.000 1.219 524 Y CB -0.441 38.210 38.460 0.317 0.000 1.279 524 Y HN -0.001 nan 8.280 nan 0.000 0.541 525 V N 0.410 120.424 119.914 0.167 0.000 2.313 525 V HA -0.347 3.773 4.120 -0.001 0.000 0.253 525 V C 1.778 177.920 176.094 0.081 0.000 1.070 525 V CA 2.517 64.878 62.300 0.101 0.000 1.057 525 V CB -0.121 31.734 31.823 0.054 0.000 0.653 525 V HN 0.460 nan 8.190 nan 0.000 0.450 526 D N -1.012 119.429 120.400 0.068 0.000 2.367 526 D HA 0.012 4.651 4.640 -0.001 0.000 0.207 526 D C 0.606 176.945 176.300 0.065 0.000 1.034 526 D CA 0.084 54.115 54.000 0.052 0.000 0.861 526 D CB 0.140 40.957 40.800 0.027 0.000 0.943 526 D HN 0.476 nan 8.370 nan 0.000 0.515 527 D N 1.311 121.769 120.400 0.097 0.000 2.358 527 D HA -0.050 4.589 4.640 -0.001 0.000 0.258 527 D C 0.972 177.345 176.300 0.122 0.000 1.223 527 D CA 0.175 54.238 54.000 0.105 0.000 0.886 527 D CB 1.033 41.919 40.800 0.143 0.000 1.120 527 D HN -0.097 nan 8.370 nan 0.000 0.482 528 E N 2.683 122.932 120.200 0.081 0.000 2.472 528 E HA -0.111 4.239 4.350 -0.001 0.000 0.200 528 E C 1.293 177.943 176.600 0.084 0.000 1.046 528 E CA 0.650 57.093 56.400 0.072 0.000 0.871 528 E CB 0.199 29.928 29.700 0.047 0.000 0.806 528 E HN 0.605 nan 8.360 nan 0.000 0.533 529 A N 0.736 123.615 122.820 0.099 0.000 1.832 529 A HA -0.099 4.221 4.320 -0.001 0.000 0.214 529 A C 1.780 179.470 177.584 0.177 0.000 1.242 529 A CA 0.560 52.656 52.037 0.098 0.000 0.603 529 A CB -0.865 18.172 19.000 0.062 0.000 0.902 529 A HN 0.384 nan 8.150 nan 0.000 0.455 530 F N 0.859 120.838 119.950 0.048 0.000 2.192 530 F HA -0.167 4.360 4.527 -0.001 0.000 0.301 530 F C 2.050 177.865 175.800 0.026 0.000 1.079 530 F CA 0.408 58.423 58.000 0.025 0.000 1.303 530 F CB -0.681 38.341 39.000 0.037 0.000 1.024 530 F HN 0.148 nan 8.300 nan 0.000 0.494 531 I N 0.559 121.250 120.570 0.202 0.000 2.032 531 I HA -0.431 3.738 4.170 -0.001 0.000 0.231 531 I C 2.743 178.912 176.117 0.086 0.000 1.035 531 I CA 2.112 63.473 61.300 0.102 0.000 1.312 531 I CB -0.571 37.482 38.000 0.089 0.000 1.041 531 I HN 0.049 nan 8.210 nan 0.000 0.390 532 R N 0.945 121.493 120.500 0.081 0.000 2.154 532 R HA -0.225 4.115 4.340 -0.001 0.000 0.248 532 R C 1.640 177.983 176.300 0.072 0.000 1.155 532 R CA 1.966 58.103 56.100 0.062 0.000 0.979 532 R CB -0.915 29.416 30.300 0.051 0.000 0.869 532 R HN 0.471 nan 8.270 nan 0.000 0.452 533 D N 0.922 121.391 120.400 0.114 0.000 2.095 533 D HA -0.142 4.497 4.640 -0.001 0.000 0.192 533 D C 2.095 178.452 176.300 0.095 0.000 0.990 533 D CA 1.964 56.051 54.000 0.146 0.000 0.836 533 D CB -0.097 40.899 40.800 0.327 0.000 0.979 533 D HN 0.116 nan 8.370 nan 0.000 0.447 534 V N 1.565 121.504 119.914 0.042 0.000 2.287 534 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 534 V C 2.445 178.536 176.094 -0.005 0.000 1.053 534 V CA 2.045 64.302 62.300 -0.071 0.000 1.027 534 V CB -0.708 30.969 31.823 -0.244 0.000 0.646 534 V HN 0.244 nan 8.190 nan 0.000 0.447 535 A N -0.843 121.991 122.820 0.023 0.000 2.172 535 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 535 A C 2.115 179.720 177.584 0.034 0.000 1.154 535 A CA 1.815 53.877 52.037 0.042 0.000 0.701 535 A CB -0.367 18.665 19.000 0.053 0.000 0.789 535 A HN 0.471 nan 8.150 nan 0.000 0.465 536 K N -0.189 120.233 120.400 0.036 0.000 2.044 536 K HA 0.014 4.333 4.320 -0.001 0.000 0.204 536 K C 1.673 178.293 176.600 0.033 0.000 1.049 536 K CA 1.640 57.948 56.287 0.034 0.000 0.945 536 K CB -0.573 31.951 32.500 0.039 0.000 0.724 536 K HN 0.152 nan 8.250 nan 0.000 0.440 537 V N 1.368 121.303 119.914 0.035 0.000 2.343 537 V HA -0.225 3.895 4.120 -0.001 0.000 0.247 537 V C 2.259 178.372 176.094 0.033 0.000 1.051 537 V CA 2.032 64.352 62.300 0.034 0.000 1.036 537 V CB -0.573 31.268 31.823 0.030 0.000 0.654 537 V HN 0.310 nan 8.190 nan 0.000 0.451 538 K N 0.494 120.912 120.400 0.030 0.000 2.160 538 K HA -0.245 4.075 4.320 -0.001 0.000 0.206 538 K C 2.218 178.835 176.600 0.029 0.000 1.047 538 K CA 1.796 58.104 56.287 0.036 0.000 0.930 538 K CB -0.469 32.062 32.500 0.052 0.000 0.720 538 K HN 0.601 nan 8.250 nan 0.000 0.450 539 Q N 0.025 119.839 119.800 0.023 0.000 2.020 539 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 539 Q C 1.611 177.632 176.000 0.035 0.000 0.982 539 Q CA 1.882 57.693 55.803 0.014 0.000 0.838 539 Q CB -0.115 28.631 28.738 0.013 0.000 0.899 539 Q HN 0.269 nan 8.270 nan 0.000 0.423 540 E N 0.820 121.045 120.200 0.042 0.000 2.033 540 E HA -0.201 4.149 4.350 -0.001 0.000 0.199 540 E C 1.663 178.310 176.600 0.078 0.000 1.011 540 E CA 1.927 58.359 56.400 0.054 0.000 0.815 540 E CB -0.331 29.397 29.700 0.047 0.000 0.755 540 E HN 0.449 nan 8.360 nan 0.000 0.451 541 N N -0.025 118.721 118.700 0.078 0.000 2.021 541 N HA -0.214 4.526 4.740 -0.001 0.000 0.198 541 N C 1.586 177.205 175.510 0.181 0.000 1.041 541 N CA 1.423 54.538 53.050 0.108 0.000 0.862 541 N CB -0.147 38.384 38.487 0.074 0.000 1.048 541 N HN 0.084 nan 8.380 nan 0.000 0.427 542 K N 0.620 121.112 120.400 0.154 0.000 2.280 542 K HA -0.076 4.243 4.320 -0.001 0.000 0.202 542 K C 1.829 178.584 176.600 0.259 0.000 1.047 542 K CA 0.495 56.921 56.287 0.232 0.000 0.942 542 K CB 0.053 32.519 32.500 -0.057 0.000 0.739 542 K HN 0.252 nan 8.250 nan 0.000 0.457 543 L N 1.305 122.628 121.223 0.167 0.000 2.102 543 L HA -0.094 4.245 4.340 -0.001 0.000 0.202 543 L C 1.885 178.846 176.870 0.150 0.000 1.076 543 L CA 1.466 56.393 54.840 0.145 0.000 0.761 543 L CB -0.270 41.844 42.059 0.092 0.000 0.921 543 L HN 0.129 nan 8.230 nan 0.000 0.444 544 K N -0.717 119.774 120.400 0.151 0.000 2.044 544 K HA -0.268 4.051 4.320 -0.001 0.000 0.210 544 K C 1.977 178.675 176.600 0.164 0.000 1.049 544 K CA 1.803 58.174 56.287 0.141 0.000 0.927 544 K CB -0.367 32.214 32.500 0.136 0.000 0.713 544 K HN 0.116 nan 8.250 nan 0.000 0.443 545 F N 1.412 121.438 119.950 0.126 0.000 2.325 545 F HA -0.054 4.472 4.527 -0.001 0.000 0.299 545 F C 2.187 178.104 175.800 0.196 0.000 1.090 545 F CA 0.706 58.795 58.000 0.147 0.000 1.392 545 F CB -0.218 38.871 39.000 0.147 0.000 1.053 545 F HN -0.017 nan 8.300 nan 0.000 0.521 546 A N 0.226 123.148 122.820 0.170 0.000 1.908 546 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 546 A C 2.426 180.018 177.584 0.013 0.000 1.181 546 A CA 1.928 54.043 52.037 0.131 0.000 0.627 546 A CB -1.454 17.660 19.000 0.190 0.000 0.818 546 A HN 0.415 nan 8.150 nan 0.000 0.445 547 A N -1.729 121.105 122.820 0.023 0.000 1.897 547 A HA -0.045 4.275 4.320 -0.001 0.000 0.215 547 A C 2.134 179.705 177.584 -0.023 0.000 1.181 547 A CA 1.514 53.559 52.037 0.013 0.000 0.620 547 A CB -0.843 18.182 19.000 0.041 0.000 0.821 547 A HN 0.731 nan 8.150 nan 0.000 0.443 548 Y N 0.289 120.470 120.300 -0.198 0.000 2.165 548 Y HA -0.216 4.334 4.550 -0.001 0.000 0.286 548 Y C 1.782 177.538 175.900 -0.240 0.000 1.155 548 Y CA 1.716 59.678 58.100 -0.230 0.000 1.164 548 Y CB -0.271 38.012 38.460 -0.294 0.000 0.978 548 Y HN 0.192 nan 8.280 nan 0.000 0.513 549 L N 0.744 121.874 121.223 -0.156 0.000 2.351 549 L HA -0.197 4.142 4.340 -0.001 0.000 0.220 549 L C 0.901 177.725 176.870 -0.076 0.000 1.127 549 L CA 1.632 56.409 54.840 -0.104 0.000 0.786 549 L CB -0.701 41.285 42.059 -0.122 0.000 0.914 549 L HN 0.388 nan 8.230 nan 0.000 0.443 550 E N -2.082 118.060 120.200 -0.098 0.000 3.157 550 E HA 0.167 4.517 4.350 -0.001 0.000 0.203 550 E C 1.042 177.580 176.600 -0.104 0.000 0.982 550 E CA -0.062 56.301 56.400 -0.061 0.000 1.217 550 E CB 0.846 30.544 29.700 -0.005 0.000 1.123 550 E HN 0.277 nan 8.360 nan 0.000 0.457 551 R N 0.377 120.754 120.500 -0.206 0.000 4.142 551 R HA 0.104 4.443 4.340 -0.001 0.000 0.135 551 R C -0.444 175.638 176.300 -0.363 0.000 0.823 551 R CA 0.042 56.013 56.100 -0.216 0.000 0.963 551 R CB 0.568 30.753 30.300 -0.192 0.000 1.474 551 R HN -0.098 nan 8.270 nan 0.000 0.460 552 E N 1.464 121.254 120.200 -0.684 0.000 2.105 552 E HA 0.278 4.627 4.350 -0.001 0.000 0.285 552 E C -1.349 174.669 176.600 -0.970 0.000 1.055 552 E CA -0.050 55.716 56.400 -1.056 0.000 0.843 552 E CB 0.316 28.989 29.700 -1.712 0.000 1.067 552 E HN 0.116 nan 8.360 nan 0.000 0.398 553 Y N 0.251 120.438 120.300 -0.189 0.000 2.502 553 Y HA -0.298 4.251 4.550 -0.001 0.000 0.047 553 Y C -0.041 175.808 175.900 -0.084 0.000 1.698 553 Y CA -0.286 57.757 58.100 -0.094 0.000 1.422 553 Y CB -0.733 37.692 38.460 -0.058 0.000 2.067 553 Y HN 0.444 nan 8.280 nan 0.000 0.253 554 K N -0.558 119.916 120.400 0.123 0.000 2.532 554 K HA 0.816 5.136 4.320 -0.001 0.000 0.265 554 K C -0.299 176.351 176.600 0.083 0.000 0.948 554 K CA -0.286 56.038 56.287 0.062 0.000 0.842 554 K CB 3.226 35.754 32.500 0.045 0.000 1.392 554 K HN 0.522 nan 8.250 nan 0.000 0.436 555 V N -2.980 116.984 119.914 0.083 0.000 5.003 555 V HA 0.289 4.409 4.120 -0.001 0.000 0.132 555 V C -0.188 176.007 176.094 0.169 0.000 1.227 555 V CA -0.017 62.343 62.300 0.100 0.000 1.094 555 V CB -0.063 31.799 31.823 0.066 0.000 1.358 555 V HN 1.091 nan 8.190 nan 0.000 0.637 556 H N 1.095 120.187 119.070 0.036 0.000 3.698 556 H HA -0.069 4.486 4.556 -0.001 0.000 0.392 556 H C -0.832 174.524 175.328 0.048 0.000 1.209 556 H CA 0.004 56.078 56.048 0.043 0.000 1.335 556 H CB -0.497 29.295 29.762 0.050 0.000 1.429 556 H HN 0.407 nan 8.280 nan 0.000 0.425 557 I N 2.380 122.930 120.570 -0.033 0.000 3.191 557 I HA 0.131 4.300 4.170 -0.001 0.000 0.210 557 I C 1.263 177.243 176.117 -0.228 0.000 1.343 557 I CA 0.035 61.293 61.300 -0.070 0.000 0.679 557 I CB 0.358 38.395 38.000 0.062 0.000 1.798 557 I HN 0.688 nan 8.210 nan 0.000 0.943 558 N N 1.365 120.038 118.700 -0.045 0.000 2.572 558 N HA 0.239 4.978 4.740 -0.001 0.000 0.287 558 N C -2.611 172.958 175.510 0.098 0.000 1.136 558 N CA -1.259 51.778 53.050 -0.023 0.000 0.900 558 N CB 2.314 40.777 38.487 -0.041 0.000 1.484 558 N HN -0.008 nan 8.380 nan 0.000 0.526 559 P HA 0.037 nan 4.420 nan 0.000 0.225 559 P C 0.472 177.781 177.300 0.016 0.000 1.148 559 P CA 0.964 64.139 63.100 0.125 0.000 0.779 559 P CB 0.401 32.157 31.700 0.093 0.000 0.780 560 N N -0.473 118.243 118.700 0.026 0.000 2.142 560 N HA -0.100 4.640 4.740 -0.001 0.000 0.186 560 N C 0.750 176.270 175.510 0.017 0.000 1.023 560 N CA 0.839 53.889 53.050 -0.001 0.000 0.852 560 N CB -0.936 37.562 38.487 0.019 0.000 0.998 560 N HN 0.161 nan 8.380 nan 0.000 0.424 561 S N 0.629 116.369 115.700 0.066 0.000 2.586 561 S HA -0.057 4.412 4.470 -0.001 0.000 0.256 561 S C 0.441 175.021 174.600 -0.034 0.000 1.392 561 S CA -0.497 57.757 58.200 0.089 0.000 0.983 561 S CB 0.225 63.505 63.200 0.134 0.000 0.897 561 S HN 0.221 nan 8.310 nan 0.000 0.566 562 L N 0.778 121.896 121.223 -0.176 0.000 2.461 562 L HA 0.279 4.619 4.340 -0.001 0.000 0.272 562 L C -0.718 176.181 176.870 0.049 0.000 1.197 562 L CA -0.062 54.488 54.840 -0.483 0.000 0.836 562 L CB 0.074 41.839 42.059 -0.490 0.000 1.105 562 L HN 0.591 nan 8.230 nan 0.000 0.477 563 F N 2.002 121.793 119.950 -0.265 0.000 2.443 563 F HA 0.217 4.743 4.527 -0.001 0.000 0.369 563 F C -0.068 175.659 175.800 -0.122 0.000 1.090 563 F CA -1.452 56.473 58.000 -0.124 0.000 1.129 563 F CB 0.595 39.567 39.000 -0.047 0.000 1.367 563 F HN 0.305 nan 8.300 nan 0.000 0.465 564 D N 2.907 123.304 120.400 -0.005 0.000 2.352 564 D HA 0.371 5.010 4.640 -0.001 0.000 0.245 564 D C -0.573 175.666 176.300 -0.102 0.000 1.224 564 D CA 0.395 54.346 54.000 -0.082 0.000 0.879 564 D CB 0.835 41.571 40.800 -0.106 0.000 1.057 564 D HN 0.101 nan 8.370 nan 0.000 0.491 565 V N 3.057 122.897 119.914 -0.124 0.000 2.628 565 V HA 0.521 4.641 4.120 -0.001 0.000 0.306 565 V C -0.217 175.715 176.094 -0.270 0.000 1.045 565 V CA -0.997 61.215 62.300 -0.147 0.000 0.905 565 V CB 1.769 33.599 31.823 0.012 0.000 0.997 565 V HN 0.402 nan 8.190 nan 0.000 0.436 566 Q N 3.080 122.723 119.800 -0.262 0.000 2.294 566 Q HA 0.679 5.018 4.340 -0.001 0.000 0.264 566 Q C -1.527 174.269 176.000 -0.340 0.000 0.992 566 Q CA -0.578 55.048 55.803 -0.294 0.000 0.747 566 Q CB 2.165 30.768 28.738 -0.225 0.000 1.262 566 Q HN 0.902 nan 8.270 nan 0.000 0.452 567 V N 1.190 120.885 119.914 -0.366 0.000 2.538 567 V HA 0.675 4.794 4.120 -0.001 0.000 0.265 567 V C -1.041 174.806 176.094 -0.411 0.000 0.977 567 V CA -0.743 61.179 62.300 -0.631 0.000 0.852 567 V CB 0.952 32.172 31.823 -1.005 0.000 1.058 567 V HN 0.519 nan 8.190 nan 0.000 0.462 568 K N 2.604 122.821 120.400 -0.304 0.000 2.443 568 K HA 0.562 4.882 4.320 -0.001 0.000 0.251 568 K C -0.115 176.428 176.600 -0.095 0.000 0.972 568 K CA -0.840 55.352 56.287 -0.158 0.000 0.833 568 K CB 2.979 35.366 32.500 -0.189 0.000 1.317 568 K HN 0.975 nan 8.250 nan 0.000 0.441 569 R N 1.705 122.182 120.500 -0.040 0.000 2.585 569 R HA 0.061 4.400 4.340 -0.001 0.000 0.275 569 R C 0.004 176.281 176.300 -0.037 0.000 1.018 569 R CA -0.124 55.978 56.100 0.003 0.000 1.072 569 R CB 0.068 30.390 30.300 0.037 0.000 0.953 569 R HN 0.319 nan 8.270 nan 0.000 0.419 570 I N 4.163 124.734 120.570 0.001 0.000 2.533 570 I HA 0.122 4.292 4.170 -0.001 0.000 0.284 570 I C 0.219 176.329 176.117 -0.012 0.000 1.109 570 I CA 0.556 61.842 61.300 -0.023 0.000 1.412 570 I CB -0.075 37.927 38.000 0.004 0.000 1.396 570 I HN 0.745 nan 8.210 nan 0.000 0.543 571 H N 4.830 123.802 119.070 -0.162 0.000 3.005 571 H HA 0.156 4.712 4.556 -0.001 0.000 0.311 571 H C 0.323 175.565 175.328 -0.143 0.000 1.366 571 H CA -0.581 55.406 56.048 -0.103 0.000 1.210 571 H CB 1.091 30.809 29.762 -0.074 0.000 1.894 571 H HN 0.591 nan 8.280 nan 0.000 0.520 572 E N 1.395 121.792 120.200 0.328 0.000 2.049 572 E HA -0.268 4.081 4.350 -0.001 0.000 0.198 572 E C 1.351 177.644 176.600 -0.512 0.000 1.007 572 E CA 2.111 58.529 56.400 0.031 0.000 0.809 572 E CB -0.198 29.745 29.700 0.404 0.000 0.749 572 E HN 0.578 nan 8.360 nan 0.000 0.450 573 Y N 1.471 120.883 120.300 -1.479 0.000 2.274 573 Y HA -0.124 4.426 4.550 -0.001 0.000 0.290 573 Y C 1.778 177.312 175.900 -0.611 0.000 1.145 573 Y CA 1.195 58.442 58.100 -1.422 0.000 1.203 573 Y CB -0.180 37.311 38.460 -1.616 0.000 0.984 573 Y HN -0.207 nan 8.280 nan 0.000 0.533 574 K N 0.531 120.433 120.400 -0.831 0.000 2.288 574 K HA -0.023 4.297 4.320 -0.001 0.000 0.201 574 K C 0.663 177.088 176.600 -0.291 0.000 1.048 574 K CA 0.993 56.936 56.287 -0.573 0.000 0.956 574 K CB -0.067 32.107 32.500 -0.544 0.000 0.746 574 K HN 0.335 nan 8.250 nan 0.000 0.461 575 R N -0.116 120.250 120.500 -0.224 0.000 3.654 575 R HA -0.155 4.184 4.340 -0.001 0.000 0.302 575 R C 0.525 176.756 176.300 -0.115 0.000 1.166 575 R CA 0.725 56.744 56.100 -0.135 0.000 0.810 575 R CB -1.631 28.596 30.300 -0.122 0.000 1.323 575 R HN 0.300 nan 8.270 nan 0.000 0.478 576 Q N 0.025 119.760 119.800 -0.109 0.000 2.364 576 Q HA -0.156 4.184 4.340 -0.001 0.000 0.209 576 Q C 1.654 177.617 176.000 -0.062 0.000 0.977 576 Q CA 1.224 56.975 55.803 -0.086 0.000 0.885 576 Q CB -0.017 28.675 28.738 -0.076 0.000 0.941 576 Q HN 0.624 nan 8.270 nan 0.000 0.464 577 L N 0.374 121.571 121.223 -0.044 0.000 2.072 577 L HA -0.142 4.197 4.340 -0.001 0.000 0.205 577 L C 2.365 179.253 176.870 0.029 0.000 1.079 577 L CA 0.792 55.624 54.840 -0.013 0.000 0.752 577 L CB -0.236 41.835 42.059 0.019 0.000 0.906 577 L HN 0.254 nan 8.230 nan 0.000 0.436 578 L N -0.804 120.429 121.223 0.017 0.000 2.027 578 L HA -0.206 4.133 4.340 -0.001 0.000 0.206 578 L C 2.111 179.000 176.870 0.033 0.000 1.074 578 L CA 1.871 56.730 54.840 0.031 0.000 0.745 578 L CB -0.923 41.071 42.059 -0.108 0.000 0.898 578 L HN 0.242 nan 8.230 nan 0.000 0.433 579 N N -0.482 118.199 118.700 -0.032 0.000 2.061 579 N HA -0.248 4.491 4.740 -0.001 0.000 0.193 579 N C 1.725 177.286 175.510 0.085 0.000 1.030 579 N CA 2.148 55.250 53.050 0.087 0.000 0.856 579 N CB -0.162 38.328 38.487 0.004 0.000 1.023 579 N HN 0.615 nan 8.380 nan 0.000 0.424 580 C N 0.586 119.888 119.300 0.003 0.000 2.446 580 C HA 0.074 4.534 4.460 -0.001 0.000 0.279 580 C C 2.739 177.734 174.990 0.008 0.000 1.366 580 C CA -0.192 58.792 59.018 -0.058 0.000 1.763 580 C CB -1.338 26.309 27.740 -0.154 0.000 1.929 580 C HN 0.462 nan 8.230 nan 0.000 0.509 581 L N 0.408 121.699 121.223 0.113 0.000 2.017 581 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 581 L C 2.849 179.903 176.870 0.306 0.000 1.073 581 L CA 2.019 56.986 54.840 0.212 0.000 0.745 581 L CB -0.982 41.260 42.059 0.305 0.000 0.894 581 L HN 0.580 nan 8.230 nan 0.000 0.432 582 H N -0.761 118.442 119.070 0.221 0.000 2.422 582 H HA -0.149 4.406 4.556 -0.001 0.000 0.298 582 H C 2.144 177.520 175.328 0.081 0.000 1.098 582 H CA 1.458 57.596 56.048 0.149 0.000 1.315 582 H CB 0.408 30.284 29.762 0.191 0.000 1.382 582 H HN 0.118 nan 8.280 nan 0.000 0.523 583 V N 0.947 120.845 119.914 -0.028 0.000 2.488 583 V HA -0.194 3.926 4.120 -0.001 0.000 0.246 583 V C 2.549 178.670 176.094 0.044 0.000 1.046 583 V CA 1.381 63.609 62.300 -0.119 0.000 1.053 583 V CB -0.254 31.474 31.823 -0.157 0.000 0.679 583 V HN 0.374 nan 8.190 nan 0.000 0.458 584 I N -0.171 120.457 120.570 0.095 0.000 2.142 584 I HA -0.235 3.935 4.170 -0.001 0.000 0.240 584 I C 2.549 178.847 176.117 0.303 0.000 1.078 584 I CA 1.843 63.301 61.300 0.264 0.000 1.343 584 I CB -0.949 37.193 38.000 0.236 0.000 1.046 584 I HN 0.268 nan 8.210 nan 0.000 0.405 585 T N 1.478 116.183 114.554 0.250 0.000 2.624 585 T HA -0.251 4.098 4.350 -0.001 0.000 0.266 585 T C 1.842 176.634 174.700 0.153 0.000 1.050 585 T CA 1.769 64.001 62.100 0.220 0.000 1.163 585 T CB -0.453 68.585 68.868 0.283 0.000 0.861 585 T HN 0.092 nan 8.240 nan 0.000 0.443 586 L N -0.206 121.092 121.223 0.125 0.000 2.083 586 L HA 0.004 4.343 4.340 -0.001 0.000 0.209 586 L C 2.112 179.036 176.870 0.090 0.000 1.083 586 L CA 1.438 56.316 54.840 0.063 0.000 0.752 586 L CB -1.127 40.915 42.059 -0.028 0.000 0.899 586 L HN 0.349 nan 8.230 nan 0.000 0.433 587 Y N 0.971 121.302 120.300 0.051 0.000 2.070 587 Y HA -0.296 4.253 4.550 -0.001 0.000 0.280 587 Y C 2.414 178.373 175.900 0.099 0.000 1.148 587 Y CA 1.994 60.147 58.100 0.089 0.000 1.125 587 Y CB -0.627 37.941 38.460 0.179 0.000 0.975 587 Y HN 0.277 nan 8.280 nan 0.000 0.492 588 N N 0.437 119.062 118.700 -0.124 0.000 2.223 588 N HA -0.136 4.603 4.740 -0.001 0.000 0.185 588 N C 1.965 177.368 175.510 -0.178 0.000 1.016 588 N CA 1.446 54.341 53.050 -0.259 0.000 0.863 588 N CB -0.408 38.063 38.487 -0.026 0.000 0.983 588 N HN 0.405 nan 8.380 nan 0.000 0.429 589 R N 0.561 121.015 120.500 -0.077 0.000 2.062 589 R HA 0.139 4.479 4.340 -0.001 0.000 0.231 589 R C 2.248 178.500 176.300 -0.080 0.000 1.136 589 R CA 0.725 56.791 56.100 -0.057 0.000 0.948 589 R CB -0.321 29.969 30.300 -0.018 0.000 0.845 589 R HN 0.165 nan 8.270 nan 0.000 0.430 590 I N 0.828 121.350 120.570 -0.080 0.000 2.335 590 I HA -0.330 3.839 4.170 -0.001 0.000 0.251 590 I C 2.384 178.439 176.117 -0.104 0.000 1.129 590 I CA 1.324 62.584 61.300 -0.068 0.000 1.402 590 I CB -0.108 37.879 38.000 -0.021 0.000 1.069 590 I HN 0.185 nan 8.210 nan 0.000 0.424 591 K N 0.561 120.833 120.400 -0.213 0.000 2.044 591 K HA -0.150 4.169 4.320 -0.001 0.000 0.204 591 K C 2.165 178.680 176.600 -0.141 0.000 1.049 591 K CA 0.881 57.031 56.287 -0.228 0.000 0.945 591 K CB -0.005 32.210 32.500 -0.475 0.000 0.724 591 K HN 0.129 nan 8.250 nan 0.000 0.440 592 K N 1.040 121.358 120.400 -0.135 0.000 2.288 592 K HA -0.089 4.230 4.320 -0.001 0.000 0.201 592 K C 0.042 176.607 176.600 -0.058 0.000 1.048 592 K CA 0.996 57.229 56.287 -0.090 0.000 0.956 592 K CB 0.283 32.733 32.500 -0.083 0.000 0.746 592 K HN 0.060 nan 8.250 nan 0.000 0.461 593 E N 0.323 120.491 120.200 -0.054 0.000 3.588 593 E HA 0.118 4.468 4.350 -0.001 0.000 0.213 593 E C -2.238 174.350 176.600 -0.020 0.000 1.168 593 E CA -1.807 54.575 56.400 -0.030 0.000 1.254 593 E CB 1.294 30.979 29.700 -0.026 0.000 1.302 593 E HN 0.078 nan 8.360 nan 0.000 0.429 594 P HA -0.179 nan 4.420 nan 0.000 0.218 594 P C 0.371 177.679 177.300 0.013 0.000 1.146 594 P CA 1.201 64.298 63.100 -0.006 0.000 0.820 594 P CB 0.259 31.959 31.700 -0.001 0.000 0.778 595 N N -2.619 116.093 118.700 0.020 0.000 2.171 595 N HA 0.007 4.747 4.740 -0.001 0.000 0.212 595 N C 0.375 175.921 175.510 0.060 0.000 1.184 595 N CA -0.043 53.031 53.050 0.041 0.000 0.888 595 N CB 0.111 38.620 38.487 0.036 0.000 1.038 595 N HN 0.029 nan 8.380 nan 0.000 0.517 596 K N 1.566 121.990 120.400 0.040 0.000 2.466 596 K HA -0.043 4.276 4.320 -0.001 0.000 0.278 596 K C -0.567 176.076 176.600 0.072 0.000 1.048 596 K CA -0.140 56.175 56.287 0.046 0.000 1.088 596 K CB -0.144 32.357 32.500 0.002 0.000 0.884 596 K HN -0.030 nan 8.250 nan 0.000 0.478 597 F N 5.860 125.810 119.950 -0.000 0.000 2.502 597 F HA 0.188 4.715 4.527 -0.001 0.000 0.371 597 F C -0.279 175.523 175.800 0.002 0.000 1.083 597 F CA -0.210 57.790 58.000 0.001 0.000 1.174 597 F CB 0.418 39.416 39.000 -0.002 0.000 1.096 597 F HN 0.165 nan 8.300 nan 0.000 0.545 598 V N 7.090 126.431 119.914 -0.956 0.000 3.040 598 V HA 0.642 4.761 4.120 -0.001 0.000 0.312 598 V C -0.912 174.572 176.094 -1.018 0.000 1.115 598 V CA -0.732 61.085 62.300 -0.804 0.000 0.998 598 V CB 2.325 33.950 31.823 -0.329 0.000 1.042 598 V HN 0.535 nan 8.190 nan 0.000 0.433 599 V N 5.268 124.823 119.914 -0.599 0.000 3.185 599 V HA 0.357 4.476 4.120 -0.001 0.000 0.305 599 V C -1.959 174.046 176.094 -0.149 0.000 1.090 599 V CA -0.787 61.351 62.300 -0.269 0.000 1.107 599 V CB 0.780 32.563 31.823 -0.067 0.000 1.061 599 V HN 0.942 nan 8.190 nan 0.000 0.480 600 P HA 0.559 nan 4.420 nan 0.000 0.285 600 P C -1.437 175.832 177.300 -0.052 0.000 1.269 600 P CA -0.896 62.188 63.100 -0.027 0.000 0.844 600 P CB 1.264 32.979 31.700 0.024 0.000 1.094 601 R N 0.115 120.580 120.500 -0.059 0.000 2.510 601 R HA 0.412 4.752 4.340 -0.001 0.000 0.287 601 R C -0.857 175.415 176.300 -0.047 0.000 1.084 601 R CA -0.550 55.503 56.100 -0.077 0.000 0.934 601 R CB 1.355 31.576 30.300 -0.132 0.000 1.201 601 R HN 0.278 nan 8.270 nan 0.000 0.431 602 T N 2.858 117.416 114.554 0.006 0.000 2.794 602 T HA 0.181 4.530 4.350 -0.001 0.000 0.304 602 T C 0.310 174.950 174.700 -0.100 0.000 0.973 602 T CA -0.546 61.531 62.100 -0.039 0.000 0.972 602 T CB 0.484 69.347 68.868 -0.008 0.000 0.952 602 T HN 0.410 nan 8.240 nan 0.000 0.509 603 V N 2.848 122.690 119.914 -0.120 0.000 2.348 603 V HA 0.611 4.731 4.120 -0.001 0.000 0.270 603 V C -0.209 175.799 176.094 -0.144 0.000 1.037 603 V CA -0.808 61.410 62.300 -0.137 0.000 0.872 603 V CB 0.420 32.149 31.823 -0.156 0.000 1.002 603 V HN 0.782 nan 8.190 nan 0.000 0.464 604 M N 6.345 125.849 119.600 -0.160 0.000 2.125 604 M HA 0.592 5.071 4.480 -0.001 0.000 0.321 604 M C -1.176 174.996 176.300 -0.213 0.000 0.983 604 M CA -0.296 54.901 55.300 -0.172 0.000 0.934 604 M CB 1.930 34.428 32.600 -0.170 0.000 1.542 604 M HN 0.532 nan 8.290 nan 0.000 0.424 605 I N 2.347 122.769 120.570 -0.247 0.000 2.336 605 I HA 0.657 4.826 4.170 -0.001 0.000 0.292 605 I C 0.588 176.310 176.117 -0.659 0.000 0.991 605 I CA -0.139 60.962 61.300 -0.332 0.000 1.227 605 I CB 1.680 39.562 38.000 -0.196 0.000 1.366 605 I HN 0.736 nan 8.210 nan 0.000 0.466 606 G N 3.117 111.509 108.800 -0.679 0.000 2.498 606 G HA2 0.867 4.826 3.960 -0.001 0.000 0.312 606 G HA3 0.867 4.826 3.960 -0.001 0.000 0.312 606 G C -0.736 173.765 174.900 -0.665 0.000 1.230 606 G CA -0.856 43.728 45.100 -0.860 0.000 0.968 606 G HN 0.958 nan 8.290 nan 0.000 0.481 607 G N -0.294 108.302 108.800 -0.340 0.000 2.352 607 G HA2 0.377 4.336 3.960 -0.001 0.000 0.305 607 G HA3 0.377 4.336 3.960 -0.001 0.000 0.305 607 G C -1.234 173.799 174.900 0.222 0.000 1.537 607 G CA -1.060 44.041 45.100 0.003 0.000 0.959 607 G HN 0.628 nan 8.290 nan 0.000 0.668 608 K N 0.667 121.205 120.400 0.230 0.000 2.130 608 K HA 0.680 4.999 4.320 -0.001 0.000 0.268 608 K C 1.160 177.905 176.600 0.241 0.000 0.983 608 K CA -0.054 56.403 56.287 0.283 0.000 0.893 608 K CB 2.157 34.789 32.500 0.221 0.000 1.066 608 K HN 0.679 nan 8.250 nan 0.000 0.450 609 A N 2.465 125.416 122.820 0.220 0.000 2.243 609 A HA 0.382 4.701 4.320 -0.001 0.000 0.195 609 A C 0.129 177.793 177.584 0.133 0.000 1.405 609 A CA 1.268 53.354 52.037 0.081 0.000 0.651 609 A CB -0.387 18.601 19.000 -0.021 0.000 1.010 609 A HN 0.822 nan 8.150 nan 0.000 0.506 610 A N -2.092 120.817 122.820 0.149 0.000 1.853 610 A HA 0.513 4.833 4.320 -0.001 0.000 0.260 610 A C -3.319 174.348 177.584 0.139 0.000 0.973 610 A CA -0.802 51.365 52.037 0.216 0.000 0.811 610 A CB -0.394 18.772 19.000 0.276 0.000 0.795 610 A HN 0.248 nan 8.150 nan 0.000 0.331 611 P HA 0.482 nan 4.420 nan 0.000 0.276 611 P C 1.047 178.365 177.300 0.030 0.000 1.230 611 P CA 1.641 64.702 63.100 -0.066 0.000 0.776 611 P CB 1.133 32.716 31.700 -0.196 0.000 0.888 612 G N 1.571 110.390 108.800 0.033 0.000 2.221 612 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.265 612 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.265 612 G C -0.514 174.487 174.900 0.168 0.000 1.041 612 G CA -0.160 44.986 45.100 0.077 0.000 0.807 612 G HN 0.582 nan 8.290 nan 0.000 0.502 613 Y N 0.765 121.084 120.300 0.031 0.000 2.328 613 Y HA 0.539 5.088 4.550 -0.001 0.000 0.333 613 Y C 0.896 176.844 175.900 0.081 0.000 0.958 613 Y CA -1.584 56.544 58.100 0.046 0.000 1.167 613 Y CB 0.520 38.985 38.460 0.007 0.000 1.151 613 Y HN 0.299 nan 8.280 nan 0.000 0.470 614 H N 4.708 123.998 119.070 0.366 0.000 2.363 614 H HA -0.108 4.448 4.556 -0.001 0.000 0.301 614 H C 1.357 176.793 175.328 0.181 0.000 1.074 614 H CA 1.920 58.092 56.048 0.206 0.000 1.354 614 H CB 0.531 30.390 29.762 0.162 0.000 1.397 614 H HN 0.685 nan 8.280 nan 0.000 0.516 615 M N 0.983 120.782 119.600 0.331 0.000 2.077 615 M HA -0.041 4.439 4.480 -0.001 0.000 0.261 615 M C 2.586 178.791 176.300 -0.157 0.000 1.070 615 M CA 1.837 57.239 55.300 0.170 0.000 1.125 615 M CB -0.884 31.969 32.600 0.422 0.000 1.339 615 M HN 0.282 nan 8.290 nan 0.000 0.409 616 A N -0.313 122.081 122.820 -0.709 0.000 1.908 616 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 616 A C 2.237 179.633 177.584 -0.315 0.000 1.181 616 A CA 2.001 53.664 52.037 -0.623 0.000 0.627 616 A CB -0.751 17.688 19.000 -0.934 0.000 0.818 616 A HN 0.579 nan 8.150 nan 0.000 0.445 617 K N -1.773 118.486 120.400 -0.236 0.000 2.152 617 K HA -0.146 4.174 4.320 -0.001 0.000 0.206 617 K C 1.963 178.520 176.600 -0.071 0.000 1.048 617 K CA 1.653 57.877 56.287 -0.105 0.000 0.933 617 K CB -0.220 32.254 32.500 -0.044 0.000 0.721 617 K HN 0.390 nan 8.250 nan 0.000 0.447 618 M N 0.616 120.136 119.600 -0.133 0.000 2.200 618 M HA -0.037 4.442 4.480 -0.001 0.000 0.265 618 M C 1.745 178.014 176.300 -0.052 0.000 1.066 618 M CA 1.278 56.544 55.300 -0.056 0.000 1.127 618 M CB -0.072 32.484 32.600 -0.074 0.000 1.379 618 M HN 0.062 nan 8.290 nan 0.000 0.420 619 I N -0.788 119.724 120.570 -0.095 0.000 2.264 619 I HA -0.327 3.843 4.170 -0.001 0.000 0.248 619 I C 2.039 178.063 176.117 -0.155 0.000 1.111 619 I CA 1.245 62.476 61.300 -0.114 0.000 1.382 619 I CB -0.487 37.457 38.000 -0.095 0.000 1.060 619 I HN 0.224 nan 8.210 nan 0.000 0.418 620 I N 0.579 121.033 120.570 -0.193 0.000 2.315 620 I HA -0.269 3.901 4.170 -0.001 0.000 0.248 620 I C 2.548 178.443 176.117 -0.370 0.000 1.117 620 I CA 1.105 62.184 61.300 -0.368 0.000 1.404 620 I CB -0.295 37.410 38.000 -0.491 0.000 1.071 620 I HN 0.116 nan 8.210 nan 0.000 0.419 621 K N 1.467 121.692 120.400 -0.291 0.000 2.147 621 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 621 K C 1.956 178.469 176.600 -0.146 0.000 1.049 621 K CA 1.436 57.502 56.287 -0.368 0.000 0.936 621 K CB -0.419 31.766 32.500 -0.524 0.000 0.722 621 K HN 0.239 nan 8.250 nan 0.000 0.446 622 L N 0.120 121.234 121.223 -0.181 0.000 1.976 622 L HA -0.168 4.172 4.340 -0.001 0.000 0.209 622 L C 2.221 178.861 176.870 -0.383 0.000 1.071 622 L CA 1.598 56.131 54.840 -0.511 0.000 0.746 622 L CB -0.310 41.389 42.059 -0.600 0.000 0.890 622 L HN 0.218 nan 8.230 nan 0.000 0.432 623 I N -0.506 119.895 120.570 -0.281 0.000 2.145 623 I HA -0.286 3.884 4.170 -0.001 0.000 0.244 623 I C 0.768 176.764 176.117 -0.202 0.000 1.075 623 I CA 1.373 62.554 61.300 -0.198 0.000 1.332 623 I CB -0.465 37.519 38.000 -0.026 0.000 1.033 623 I HN 0.259 nan 8.210 nan 0.000 0.410 624 T N 0.915 115.329 114.554 -0.234 0.000 3.465 624 T HA 0.588 4.937 4.350 -0.001 0.000 0.323 624 T C 0.353 174.922 174.700 -0.218 0.000 1.774 624 T CA 0.384 62.356 62.100 -0.213 0.000 1.348 624 T CB 0.648 69.367 68.868 -0.250 0.000 1.147 624 T HN 0.449 nan 8.240 nan 0.000 0.778 625 A N 1.198 123.901 122.820 -0.195 0.000 1.429 625 A HA 0.324 4.643 4.320 -0.001 0.000 0.212 625 A C 1.539 179.017 177.584 -0.176 0.000 1.863 625 A CA -0.210 51.756 52.037 -0.118 0.000 1.494 625 A CB -0.420 18.625 19.000 0.074 0.000 1.413 625 A HN 0.492 nan 8.150 nan 0.000 0.338 626 I N 1.326 121.668 120.570 -0.380 0.000 2.163 626 I HA -0.210 3.959 4.170 -0.001 0.000 0.243 626 I C 2.744 178.675 176.117 -0.311 0.000 1.085 626 I CA 1.548 62.533 61.300 -0.525 0.000 1.347 626 I CB -0.597 37.016 38.000 -0.645 0.000 1.044 626 I HN 0.439 nan 8.210 nan 0.000 0.408 627 G N 0.954 109.598 108.800 -0.260 0.000 2.679 627 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.222 627 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.222 627 G C 1.082 175.810 174.900 -0.287 0.000 1.164 627 G CA 2.058 47.030 45.100 -0.214 0.000 0.769 627 G HN 0.420 nan 8.290 nan 0.000 0.610 628 D N -0.627 119.588 120.400 -0.307 0.000 2.120 628 D HA 0.041 4.681 4.640 -0.001 0.000 0.202 628 D C 2.672 178.629 176.300 -0.571 0.000 0.972 628 D CA 0.698 54.382 54.000 -0.525 0.000 0.837 628 D CB -0.231 40.435 40.800 -0.225 0.000 0.989 628 D HN 0.173 nan 8.370 nan 0.000 0.469 629 V N 1.083 120.815 119.914 -0.304 0.000 2.215 629 V HA -0.268 3.851 4.120 -0.001 0.000 0.249 629 V C 2.625 178.545 176.094 -0.290 0.000 1.054 629 V CA 2.163 64.301 62.300 -0.270 0.000 1.012 629 V CB -0.647 30.994 31.823 -0.302 0.000 0.639 629 V HN 0.272 nan 8.190 nan 0.000 0.448 630 V N -1.450 118.245 119.914 -0.365 0.000 2.453 630 V HA -0.085 4.035 4.120 -0.001 0.000 0.247 630 V C 2.011 178.030 176.094 -0.125 0.000 1.048 630 V CA 2.219 64.315 62.300 -0.340 0.000 1.049 630 V CB -0.953 30.633 31.823 -0.395 0.000 0.672 630 V HN 0.523 nan 8.190 nan 0.000 0.457 631 N N 0.442 119.033 118.700 -0.183 0.000 2.457 631 N HA -0.025 4.715 4.740 -0.001 0.000 0.180 631 N C 1.225 176.768 175.510 0.055 0.000 1.050 631 N CA 1.311 54.316 53.050 -0.076 0.000 0.906 631 N CB -0.501 37.924 38.487 -0.103 0.000 0.968 631 N HN 0.810 nan 8.380 nan 0.000 0.445 632 H N -1.585 117.496 119.070 0.017 0.000 2.487 632 H HA 0.175 4.731 4.556 -0.001 0.000 0.290 632 H C -0.580 174.782 175.328 0.055 0.000 1.081 632 H CA -0.605 55.464 56.048 0.035 0.000 1.116 632 H CB 0.423 30.198 29.762 0.020 0.000 1.560 632 H HN 0.010 nan 8.280 nan 0.000 0.548 633 D N 1.248 121.737 120.400 0.149 0.000 2.280 633 D HA 0.087 4.726 4.640 -0.001 0.000 0.243 633 D C -1.576 174.819 176.300 0.159 0.000 1.129 633 D CA -2.402 51.703 54.000 0.176 0.000 0.848 633 D CB 1.636 42.600 40.800 0.274 0.000 1.107 633 D HN -0.070 nan 8.370 nan 0.000 0.471 634 P HA -0.228 nan 4.420 nan 0.000 0.216 634 P C 1.329 178.693 177.300 0.107 0.000 1.167 634 P CA 0.849 64.015 63.100 0.110 0.000 0.914 634 P CB 0.213 31.966 31.700 0.089 0.000 0.793 635 V N -1.055 118.923 119.914 0.107 0.000 2.913 635 V HA -0.139 3.980 4.120 -0.001 0.000 0.260 635 V C 2.317 178.465 176.094 0.089 0.000 1.098 635 V CA 1.272 63.620 62.300 0.082 0.000 1.121 635 V CB -0.892 30.965 31.823 0.057 0.000 0.714 635 V HN -0.013 nan 8.190 nan 0.000 0.487 636 V N 0.221 120.215 119.914 0.134 0.000 2.379 636 V HA 0.040 4.160 4.120 -0.001 0.000 0.245 636 V C 2.260 178.413 176.094 0.099 0.000 1.044 636 V CA 1.790 64.171 62.300 0.135 0.000 1.036 636 V CB -0.994 30.947 31.823 0.197 0.000 0.664 636 V HN 0.645 nan 8.190 nan 0.000 0.453 637 G N 1.435 110.299 108.800 0.106 0.000 4.862 637 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.344 637 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.344 637 G C 0.431 175.390 174.900 0.097 0.000 1.365 637 G CA 1.185 46.347 45.100 0.104 0.000 1.066 637 G HN 0.816 nan 8.290 nan 0.000 0.808 638 D N -1.203 119.234 120.400 0.062 0.000 2.740 638 D HA 0.387 5.026 4.640 -0.001 0.000 0.305 638 D C 1.300 177.608 176.300 0.013 0.000 1.583 638 D CA -0.059 53.947 54.000 0.010 0.000 0.790 638 D CB -0.240 40.552 40.800 -0.014 0.000 1.187 638 D HN 0.545 nan 8.370 nan 0.000 0.447 639 R N -0.160 120.358 120.500 0.030 0.000 2.156 639 R HA 0.339 4.679 4.340 -0.001 0.000 0.207 639 R C 0.219 176.520 176.300 0.001 0.000 1.040 639 R CA 0.266 56.376 56.100 0.016 0.000 1.013 639 R CB 0.757 31.069 30.300 0.019 0.000 0.931 639 R HN 0.170 nan 8.270 nan 0.000 0.465 640 L N 1.180 122.413 121.223 0.017 0.000 2.385 640 L HA 0.502 4.841 4.340 -0.001 0.000 0.273 640 L C -1.338 175.525 176.870 -0.011 0.000 0.990 640 L CA -0.649 54.192 54.840 0.002 0.000 0.821 640 L CB 1.703 43.792 42.059 0.050 0.000 1.279 640 L HN 0.095 nan 8.230 nan 0.000 0.412 641 R N 4.060 124.535 120.500 -0.043 0.000 2.502 641 R HA 0.527 4.866 4.340 -0.001 0.000 0.300 641 R C -1.264 174.985 176.300 -0.086 0.000 0.984 641 R CA -0.589 55.476 56.100 -0.058 0.000 0.882 641 R CB 2.345 32.611 30.300 -0.057 0.000 1.180 641 R HN 0.373 nan 8.270 nan 0.000 0.444 642 V N 5.059 124.914 119.914 -0.099 0.000 2.435 642 V HA 0.570 4.689 4.120 -0.001 0.000 0.290 642 V C 0.306 176.347 176.094 -0.088 0.000 1.030 642 V CA -0.645 61.586 62.300 -0.114 0.000 0.881 642 V CB 1.881 33.615 31.823 -0.148 0.000 0.983 642 V HN 0.593 nan 8.190 nan 0.000 0.445 643 I N 4.614 125.135 120.570 -0.082 0.000 2.497 643 I HA 0.339 4.508 4.170 -0.001 0.000 0.284 643 I C -0.968 175.120 176.117 -0.048 0.000 1.060 643 I CA -0.342 60.927 61.300 -0.052 0.000 1.071 643 I CB 1.942 39.906 38.000 -0.061 0.000 1.216 643 I HN 0.534 nan 8.210 nan 0.000 0.442 644 F N 7.428 127.315 119.950 -0.106 0.000 2.472 644 F HA 0.352 4.879 4.527 -0.001 0.000 0.364 644 F C -0.190 175.555 175.800 -0.090 0.000 1.090 644 F CA -0.134 57.803 58.000 -0.104 0.000 1.188 644 F CB 0.534 39.470 39.000 -0.108 0.000 1.105 644 F HN 0.251 nan 8.300 nan 0.000 0.536 645 L N 6.566 127.406 121.223 -0.640 0.000 2.312 645 L HA 0.168 4.508 4.340 -0.001 0.000 0.287 645 L C 0.532 177.278 176.870 -0.207 0.000 1.091 645 L CA -0.178 54.483 54.840 -0.298 0.000 0.846 645 L CB 0.278 42.253 42.059 -0.139 0.000 1.219 645 L HN 0.608 nan 8.230 nan 0.000 0.439 646 E N 3.612 123.778 120.200 -0.057 0.000 2.414 646 E HA -0.141 4.208 4.350 -0.001 0.000 0.263 646 E C 0.386 177.033 176.600 0.078 0.000 1.000 646 E CA -0.183 56.252 56.400 0.058 0.000 0.914 646 E CB 0.381 29.989 29.700 -0.153 0.000 0.948 646 E HN 0.529 nan 8.360 nan 0.000 0.444 647 N N 2.991 121.803 118.700 0.188 0.000 2.689 647 N HA -0.304 4.435 4.740 -0.001 0.000 0.263 647 N C -1.410 174.211 175.510 0.184 0.000 0.987 647 N CA 0.651 53.820 53.050 0.198 0.000 0.782 647 N CB -1.277 37.329 38.487 0.199 0.000 0.903 647 N HN 0.418 nan 8.380 nan 0.000 0.547 648 Y N 1.835 122.180 120.300 0.074 0.000 2.544 648 Y HA 0.234 4.783 4.550 -0.001 0.000 0.330 648 Y C 1.011 176.955 175.900 0.074 0.000 1.136 648 Y CA 0.157 58.285 58.100 0.047 0.000 1.417 648 Y CB 0.334 38.776 38.460 -0.030 0.000 1.229 648 Y HN 0.401 nan 8.280 nan 0.000 0.532 649 R N 3.008 123.202 120.500 -0.511 0.000 2.844 649 R HA 0.448 4.788 4.340 -0.001 0.000 0.264 649 R C -0.469 175.525 176.300 -0.510 0.000 1.077 649 R CA -0.532 55.368 56.100 -0.333 0.000 0.953 649 R CB 0.332 30.605 30.300 -0.044 0.000 1.272 649 R HN 0.442 nan 8.270 nan 0.000 0.447 650 V N 1.272 120.877 119.914 -0.514 0.000 2.219 650 V HA -0.294 3.825 4.120 -0.001 0.000 0.248 650 V C 2.397 178.363 176.094 -0.213 0.000 1.053 650 V CA 3.034 65.096 62.300 -0.398 0.000 1.009 650 V CB -0.811 30.756 31.823 -0.426 0.000 0.636 650 V HN 0.937 nan 8.190 nan 0.000 0.445 651 S N -0.797 114.804 115.700 -0.166 0.000 2.584 651 S HA -0.057 4.413 4.470 -0.001 0.000 0.240 651 S C 1.711 176.251 174.600 -0.101 0.000 0.975 651 S CA 1.112 59.241 58.200 -0.119 0.000 0.949 651 S CB -0.392 62.762 63.200 -0.077 0.000 0.761 651 S HN 0.511 nan 8.310 nan 0.000 0.536 652 L N -0.250 120.892 121.223 -0.135 0.000 2.463 652 L HA 0.308 4.648 4.340 -0.001 0.000 0.219 652 L C 2.562 179.381 176.870 -0.084 0.000 1.088 652 L CA 0.869 55.664 54.840 -0.076 0.000 0.849 652 L CB -0.664 41.384 42.059 -0.019 0.000 1.012 652 L HN 0.476 nan 8.230 nan 0.000 0.468 653 A N 0.542 123.262 122.820 -0.167 0.000 1.832 653 A HA -0.228 4.091 4.320 -0.001 0.000 0.214 653 A C 1.859 179.458 177.584 0.026 0.000 1.200 653 A CA 1.576 53.597 52.037 -0.027 0.000 0.610 653 A CB -0.573 18.426 19.000 -0.002 0.000 0.842 653 A HN 0.478 nan 8.150 nan 0.000 0.444 654 E N 0.169 120.427 120.200 0.097 0.000 2.169 654 E HA -0.278 4.072 4.350 -0.001 0.000 0.202 654 E C 2.010 178.575 176.600 -0.059 0.000 1.016 654 E CA 1.748 58.153 56.400 0.009 0.000 0.817 654 E CB -0.246 29.374 29.700 -0.134 0.000 0.736 654 E HN 0.624 nan 8.360 nan 0.000 0.462 655 K N 0.418 120.770 120.400 -0.080 0.000 1.975 655 K HA -0.043 4.276 4.320 -0.001 0.000 0.210 655 K C 2.327 178.791 176.600 -0.227 0.000 1.041 655 K CA 0.979 57.224 56.287 -0.070 0.000 0.942 655 K CB -0.643 31.846 32.500 -0.018 0.000 0.729 655 K HN -0.015 nan 8.250 nan 0.000 0.439 656 V N 2.326 121.995 119.914 -0.408 0.000 2.490 656 V HA -0.205 3.914 4.120 -0.001 0.000 0.250 656 V C 2.078 177.885 176.094 -0.477 0.000 1.061 656 V CA 1.379 63.180 62.300 -0.831 0.000 1.064 656 V CB -0.310 31.164 31.823 -0.583 0.000 0.670 656 V HN 0.297 nan 8.190 nan 0.000 0.461 657 I N -0.179 120.171 120.570 -0.367 0.000 2.113 657 I HA -0.146 4.024 4.170 -0.001 0.000 0.238 657 I C 0.169 176.098 176.117 -0.314 0.000 1.070 657 I CA 1.660 62.634 61.300 -0.543 0.000 1.332 657 I CB -1.716 35.902 38.000 -0.637 0.000 1.044 657 I HN 0.307 nan 8.210 nan 0.000 0.402 658 P HA -0.344 nan 4.420 nan 0.000 0.232 658 P C 0.975 178.251 177.300 -0.040 0.000 1.135 658 P CA 2.719 65.769 63.100 -0.084 0.000 0.969 658 P CB -0.080 31.585 31.700 -0.057 0.000 0.777 659 A N -2.282 120.501 122.820 -0.062 0.000 2.251 659 A HA 0.427 4.746 4.320 -0.001 0.000 0.209 659 A C 0.999 178.726 177.584 0.237 0.000 1.187 659 A CA 0.410 52.515 52.037 0.113 0.000 0.823 659 A CB -0.791 18.358 19.000 0.248 0.000 0.846 659 A HN 0.269 nan 8.150 nan 0.000 0.486 660 A N 0.246 123.148 122.820 0.136 0.000 2.450 660 A HA 0.427 4.747 4.320 -0.001 0.000 0.255 660 A C 0.399 178.119 177.584 0.227 0.000 1.096 660 A CA -0.091 52.096 52.037 0.249 0.000 0.778 660 A CB 0.245 19.473 19.000 0.380 0.000 1.031 660 A HN 0.353 nan 8.150 nan 0.000 0.494 661 D N 1.136 121.674 120.400 0.229 0.000 2.628 661 D HA 0.078 4.717 4.640 -0.001 0.000 0.258 661 D C 0.369 176.796 176.300 0.212 0.000 1.165 661 D CA 0.569 54.748 54.000 0.299 0.000 0.991 661 D CB -0.161 40.721 40.800 0.137 0.000 1.104 661 D HN 0.428 nan 8.370 nan 0.000 0.438 662 L N 1.763 123.035 121.223 0.083 0.000 2.255 662 L HA 0.218 4.558 4.340 -0.001 0.000 0.289 662 L C -0.068 176.711 176.870 -0.152 0.000 1.046 662 L CA -0.156 54.643 54.840 -0.067 0.000 0.816 662 L CB 1.208 43.188 42.059 -0.130 0.000 1.197 662 L HN -0.046 nan 8.230 nan 0.000 0.427 663 S N 4.585 120.140 115.700 -0.241 0.000 2.505 663 S HA 0.153 4.622 4.470 -0.001 0.000 0.276 663 S C -0.055 174.314 174.600 -0.385 0.000 1.274 663 S CA -0.502 57.363 58.200 -0.557 0.000 1.053 663 S CB 0.367 63.252 63.200 -0.525 0.000 0.919 663 S HN 0.554 nan 8.310 nan 0.000 0.490 664 E N 3.268 123.239 120.200 -0.382 0.000 2.197 664 E HA 0.220 4.570 4.350 -0.001 0.000 0.281 664 E C -0.605 175.883 176.600 -0.186 0.000 0.995 664 E CA -0.269 56.014 56.400 -0.196 0.000 0.808 664 E CB 1.559 31.174 29.700 -0.142 0.000 1.093 664 E HN 0.603 nan 8.360 nan 0.000 0.394 665 Q N 2.388 122.149 119.800 -0.064 0.000 2.632 665 Q HA 0.186 4.525 4.340 -0.001 0.000 0.352 665 Q C 0.209 176.223 176.000 0.024 0.000 0.821 665 Q CA -0.005 55.773 55.803 -0.041 0.000 1.060 665 Q CB 0.032 28.768 28.738 -0.003 0.000 1.429 665 Q HN 0.620 nan 8.270 nan 0.000 0.391 666 I N -2.472 118.100 120.570 0.003 0.000 3.684 666 I HA 0.282 4.451 4.170 -0.001 0.000 0.308 666 I C 0.264 176.355 176.117 -0.043 0.000 1.263 666 I CA -0.248 61.065 61.300 0.022 0.000 1.174 666 I CB 0.125 38.096 38.000 -0.049 0.000 1.021 666 I HN -0.016 nan 8.210 nan 0.000 0.451 667 S N 1.269 116.933 115.700 -0.060 0.000 2.612 667 S HA 0.122 4.592 4.470 -0.001 0.000 0.253 667 S C 0.697 175.280 174.600 -0.029 0.000 1.346 667 S CA -0.122 58.042 58.200 -0.060 0.000 0.976 667 S CB 0.465 63.655 63.200 -0.018 0.000 0.949 667 S HN 0.477 nan 8.310 nan 0.000 0.584 668 T N 2.030 116.592 114.554 0.015 0.000 2.897 668 T HA 0.485 4.834 4.350 -0.001 0.000 0.294 668 T C 0.171 174.868 174.700 -0.006 0.000 1.004 668 T CA -0.460 61.649 62.100 0.016 0.000 1.106 668 T CB 0.863 69.795 68.868 0.107 0.000 0.949 668 T HN 0.682 nan 8.240 nan 0.000 0.520 669 A N 1.604 124.397 122.820 -0.044 0.000 2.409 669 A HA 0.593 4.912 4.320 -0.001 0.000 0.262 669 A C 1.430 178.992 177.584 -0.038 0.000 1.113 669 A CA 0.192 52.199 52.037 -0.051 0.000 0.790 669 A CB -0.584 18.369 19.000 -0.078 0.000 1.046 669 A HN 1.467 nan 8.150 nan 0.000 0.496 670 G N 1.300 110.077 108.800 -0.039 0.000 2.179 670 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.220 670 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.220 670 G C 0.882 175.745 174.900 -0.062 0.000 0.990 670 G CA 1.096 46.169 45.100 -0.045 0.000 0.646 670 G HN 1.839 nan 8.290 nan 0.000 0.517 671 T N -2.053 112.469 114.554 -0.054 0.000 3.037 671 T HA 0.362 4.712 4.350 -0.001 0.000 0.252 671 T C 0.587 175.231 174.700 -0.093 0.000 1.073 671 T CA 0.757 62.777 62.100 -0.133 0.000 1.091 671 T CB 0.473 69.251 68.868 -0.149 0.000 0.935 671 T HN 0.278 nan 8.240 nan 0.000 0.488 672 E N 1.074 121.287 120.200 0.023 0.000 2.227 672 E HA 0.558 4.907 4.350 -0.001 0.000 0.282 672 E C 0.435 177.012 176.600 -0.037 0.000 1.015 672 E CA -0.168 56.269 56.400 0.061 0.000 0.823 672 E CB 1.718 31.462 29.700 0.074 0.000 1.081 672 E HN 0.369 nan 8.360 nan 0.000 0.396 673 A N 2.100 124.872 122.820 -0.080 0.000 2.208 673 A HA 0.030 4.349 4.320 -0.001 0.000 0.209 673 A C 1.352 178.932 177.584 -0.008 0.000 1.161 673 A CA 1.175 53.090 52.037 -0.204 0.000 0.782 673 A CB 0.221 18.939 19.000 -0.469 0.000 0.816 673 A HN 0.548 nan 8.150 nan 0.000 0.477 674 S N -2.922 112.794 115.700 0.027 0.000 6.848 674 S HA 0.421 4.890 4.470 -0.001 0.000 0.083 674 S C 0.165 174.762 174.600 -0.004 0.000 1.436 674 S CA 1.123 59.342 58.200 0.033 0.000 1.070 674 S CB -0.353 62.888 63.200 0.067 0.000 1.519 674 S HN 2.138 nan 8.310 nan 0.000 0.563 675 G N 0.720 109.517 108.800 -0.004 0.000 3.448 675 G HA2 0.068 4.027 3.960 -0.001 0.000 0.685 675 G HA3 0.068 4.027 3.960 -0.001 0.000 0.685 675 G C 0.016 174.871 174.900 -0.076 0.000 1.151 675 G CA 0.354 45.434 45.100 -0.032 0.000 1.023 675 G HN 0.707 nan 8.290 nan 0.000 0.499 676 T N 1.437 115.944 114.554 -0.077 0.000 3.034 676 T HA 0.201 4.551 4.350 -0.001 0.000 0.248 676 T C 2.552 177.155 174.700 -0.162 0.000 1.040 676 T CA 1.876 63.898 62.100 -0.130 0.000 1.107 676 T CB -0.125 68.673 68.868 -0.117 0.000 0.932 676 T HN 1.285 nan 8.240 nan 0.000 0.474 677 G N 2.116 110.851 108.800 -0.108 0.000 2.479 677 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.220 677 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.220 677 G C 1.503 176.477 174.900 0.123 0.000 1.115 677 G CA 0.720 45.796 45.100 -0.040 0.000 0.757 677 G HN 0.419 nan 8.290 nan 0.000 0.560 678 N N 0.944 119.661 118.700 0.028 0.000 2.069 678 N HA -0.118 4.621 4.740 -0.001 0.000 0.191 678 N C 2.254 177.799 175.510 0.058 0.000 1.031 678 N CA 1.493 54.562 53.050 0.031 0.000 0.852 678 N CB -0.452 38.014 38.487 -0.035 0.000 1.018 678 N HN 0.380 nan 8.380 nan 0.000 0.423 679 M N 0.827 120.398 119.600 -0.047 0.000 2.077 679 M HA -0.045 4.434 4.480 -0.001 0.000 0.261 679 M C 1.968 178.276 176.300 0.014 0.000 1.070 679 M CA 1.295 56.559 55.300 -0.061 0.000 1.125 679 M CB -0.425 32.075 32.600 -0.167 0.000 1.339 679 M HN -0.019 nan 8.290 nan 0.000 0.409 680 K N 0.448 120.797 120.400 -0.085 0.000 2.052 680 K HA -0.207 4.112 4.320 -0.001 0.000 0.215 680 K C 1.671 178.193 176.600 -0.130 0.000 1.053 680 K CA 1.996 58.176 56.287 -0.178 0.000 0.934 680 K CB -0.468 31.763 32.500 -0.449 0.000 0.717 680 K HN 0.131 nan 8.250 nan 0.000 0.450 681 F N 0.595 120.489 119.950 -0.093 0.000 2.102 681 F HA -0.170 4.356 4.527 -0.001 0.000 0.298 681 F C 2.632 178.396 175.800 -0.059 0.000 1.105 681 F CA 1.366 59.324 58.000 -0.070 0.000 1.239 681 F CB -0.393 38.557 39.000 -0.083 0.000 0.991 681 F HN 0.044 nan 8.300 nan 0.000 0.474 682 M N 0.063 119.746 119.600 0.139 0.000 2.082 682 M HA -0.285 4.194 4.480 -0.001 0.000 0.258 682 M C 2.283 178.613 176.300 0.050 0.000 1.071 682 M CA 1.865 57.200 55.300 0.057 0.000 1.103 682 M CB -0.609 32.052 32.600 0.102 0.000 1.307 682 M HN 0.261 nan 8.290 nan 0.000 0.409 683 L N 0.387 121.657 121.223 0.079 0.000 2.261 683 L HA -0.222 4.117 4.340 -0.001 0.000 0.216 683 L C 0.972 177.860 176.870 0.030 0.000 1.114 683 L CA 1.050 55.930 54.840 0.067 0.000 0.777 683 L CB -0.418 41.700 42.059 0.099 0.000 0.910 683 L HN 0.445 nan 8.230 nan 0.000 0.440 684 N N 0.403 119.108 118.700 0.008 0.000 2.327 684 N HA 0.081 4.821 4.740 -0.001 0.000 0.231 684 N C 0.595 176.100 175.510 -0.009 0.000 1.130 684 N CA 0.789 53.833 53.050 -0.010 0.000 0.845 684 N CB 0.420 38.877 38.487 -0.050 0.000 1.073 684 N HN 0.339 nan 8.380 nan 0.000 0.496 685 G N 1.083 109.872 108.800 -0.019 0.000 2.359 685 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.298 685 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.298 685 G C -0.177 174.721 174.900 -0.003 0.000 1.030 685 G CA 0.355 45.432 45.100 -0.038 0.000 1.149 685 G HN 0.486 nan 8.290 nan 0.000 0.512 686 A N 1.294 124.123 122.820 0.016 0.000 2.311 686 A HA 0.754 5.074 4.320 -0.001 0.000 0.306 686 A C 0.320 177.868 177.584 -0.060 0.000 1.189 686 A CA -0.697 51.377 52.037 0.062 0.000 0.791 686 A CB 0.933 20.094 19.000 0.269 0.000 1.172 686 A HN 0.839 nan 8.150 nan 0.000 0.481 687 L N 2.750 123.867 121.223 -0.178 0.000 2.477 687 L HA 0.174 4.514 4.340 -0.001 0.000 0.272 687 L C 0.483 177.196 176.870 -0.261 0.000 1.157 687 L CA -0.025 54.641 54.840 -0.291 0.000 0.889 687 L CB 0.449 42.254 42.059 -0.423 0.000 1.158 687 L HN 0.734 nan 8.230 nan 0.000 0.473 688 T N 4.127 118.486 114.554 -0.325 0.000 2.834 688 T HA 0.291 4.640 4.350 -0.001 0.000 0.298 688 T C 0.225 174.928 174.700 0.005 0.000 0.966 688 T CA -0.302 61.701 62.100 -0.161 0.000 1.141 688 T CB 1.300 70.186 68.868 0.029 0.000 0.905 688 T HN 0.382 nan 8.240 nan 0.000 0.535 689 I N 1.709 122.273 120.570 -0.011 0.000 2.970 689 I HA 0.663 4.833 4.170 -0.001 0.000 0.310 689 I C 0.687 176.944 176.117 0.234 0.000 1.010 689 I CA 0.321 61.695 61.300 0.125 0.000 1.228 689 I CB 0.834 38.825 38.000 -0.016 0.000 1.433 689 I HN 0.859 nan 8.210 nan 0.000 0.573 690 G N 2.125 111.146 108.800 0.369 0.000 2.341 690 G HA2 0.292 4.252 3.960 -0.001 0.000 0.293 690 G HA3 0.292 4.252 3.960 -0.001 0.000 0.293 690 G C -1.042 174.082 174.900 0.373 0.000 1.298 690 G CA -0.124 45.178 45.100 0.336 0.000 0.868 690 G HN 0.767 nan 8.290 nan 0.000 0.540 691 T N -2.528 112.106 114.554 0.134 0.000 2.940 691 T HA 0.637 4.986 4.350 -0.001 0.000 0.288 691 T C 0.281 174.943 174.700 -0.063 0.000 1.045 691 T CA -0.699 61.370 62.100 -0.051 0.000 1.018 691 T CB 1.887 70.650 68.868 -0.174 0.000 1.151 691 T HN 0.593 nan 8.240 nan 0.000 0.529 692 M N 2.800 122.339 119.600 -0.102 0.000 3.254 692 M HA 0.375 4.854 4.480 -0.001 0.000 0.257 692 M C -0.939 175.316 176.300 -0.076 0.000 1.490 692 M CA -0.023 55.219 55.300 -0.096 0.000 1.620 692 M CB -1.682 30.861 32.600 -0.095 0.000 1.157 692 M HN 0.624 nan 8.290 nan 0.000 0.541 693 D N 0.616 120.978 120.400 -0.064 0.000 2.547 693 D HA 0.704 5.343 4.640 -0.001 0.000 0.231 693 D C 0.881 177.160 176.300 -0.035 0.000 1.099 693 D CA 0.739 54.712 54.000 -0.044 0.000 0.901 693 D CB 1.623 42.403 40.800 -0.033 0.000 1.478 693 D HN 0.481 nan 8.370 nan 0.000 0.471 694 G N 1.771 110.559 108.800 -0.021 0.000 2.879 694 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.353 694 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.353 694 G C 0.784 175.678 174.900 -0.009 0.000 1.182 694 G CA 1.769 46.864 45.100 -0.007 0.000 0.957 694 G HN 1.114 nan 8.290 nan 0.000 0.587 695 A N -0.670 122.129 122.820 -0.035 0.000 2.585 695 A HA 0.513 4.833 4.320 -0.001 0.000 0.266 695 A C 1.502 179.038 177.584 -0.080 0.000 1.178 695 A CA 1.157 53.158 52.037 -0.061 0.000 0.966 695 A CB 0.221 19.148 19.000 -0.121 0.000 1.170 695 A HN 0.423 nan 8.150 nan 0.000 0.558 696 N N 0.319 118.981 118.700 -0.064 0.000 2.430 696 N HA -0.109 4.630 4.740 -0.001 0.000 0.186 696 N C 1.481 176.851 175.510 -0.234 0.000 1.032 696 N CA 1.330 54.331 53.050 -0.082 0.000 0.893 696 N CB -0.161 38.287 38.487 -0.066 0.000 0.957 696 N HN 0.324 nan 8.380 nan 0.000 0.442 697 V N 0.791 120.622 119.914 -0.138 0.000 2.232 697 V HA -0.169 3.951 4.120 -0.001 0.000 0.239 697 V C 1.777 177.841 176.094 -0.050 0.000 1.040 697 V CA 1.484 63.710 62.300 -0.123 0.000 0.996 697 V CB -0.566 31.220 31.823 -0.063 0.000 0.638 697 V HN 0.240 nan 8.190 nan 0.000 0.453 698 E N -0.339 119.898 120.200 0.061 0.000 2.273 698 E HA -0.268 4.081 4.350 -0.001 0.000 0.198 698 E C 2.061 178.877 176.600 0.360 0.000 1.002 698 E CA 1.427 57.950 56.400 0.205 0.000 0.828 698 E CB -0.296 29.607 29.700 0.338 0.000 0.747 698 E HN 0.522 nan 8.360 nan 0.000 0.491 699 M N -0.099 119.698 119.600 0.328 0.000 2.229 699 M HA -0.142 4.337 4.480 -0.001 0.000 0.264 699 M C 2.310 178.853 176.300 0.404 0.000 1.063 699 M CA 1.376 56.996 55.300 0.534 0.000 1.114 699 M CB -0.026 32.899 32.600 0.541 0.000 1.387 699 M HN 0.184 nan 8.290 nan 0.000 0.420 700 A N -0.076 122.712 122.820 -0.054 0.000 1.872 700 A HA -0.194 4.126 4.320 -0.001 0.000 0.214 700 A C 1.952 179.558 177.584 0.037 0.000 1.187 700 A CA 1.746 53.708 52.037 -0.124 0.000 0.614 700 A CB -0.816 17.966 19.000 -0.364 0.000 0.826 700 A HN 0.536 nan 8.150 nan 0.000 0.442 701 E N -0.260 119.960 120.200 0.034 0.000 2.147 701 E HA -0.274 4.076 4.350 -0.001 0.000 0.199 701 E C 1.669 178.296 176.600 0.045 0.000 1.005 701 E CA 1.744 58.166 56.400 0.037 0.000 0.810 701 E CB -0.017 29.706 29.700 0.038 0.000 0.736 701 E HN 0.641 nan 8.360 nan 0.000 0.460 702 E N -0.027 120.213 120.200 0.066 0.000 2.075 702 E HA -0.022 4.328 4.350 -0.001 0.000 0.190 702 E C 2.063 178.706 176.600 0.072 0.000 0.969 702 E CA 0.886 57.308 56.400 0.036 0.000 0.815 702 E CB -0.562 29.123 29.700 -0.026 0.000 0.776 702 E HN 0.342 nan 8.360 nan 0.000 0.457 703 A N 1.251 124.160 122.820 0.148 0.000 1.933 703 A HA 0.162 4.481 4.320 -0.001 0.000 0.218 703 A C 1.262 178.924 177.584 0.130 0.000 1.175 703 A CA 1.629 53.763 52.037 0.161 0.000 0.628 703 A CB -0.579 18.595 19.000 0.290 0.000 0.814 703 A HN 0.353 nan 8.150 nan 0.000 0.444 704 G N -1.232 107.653 108.800 0.142 0.000 3.225 704 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.686 704 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.686 704 G C 0.056 175.024 174.900 0.113 0.000 1.105 704 G CA 0.108 45.261 45.100 0.088 0.000 0.831 704 G HN 0.147 nan 8.290 nan 0.000 0.578 705 E N 0.976 121.209 120.200 0.056 0.000 2.147 705 E HA -0.245 4.104 4.350 -0.001 0.000 0.199 705 E C 2.260 178.877 176.600 0.029 0.000 1.005 705 E CA 2.235 58.654 56.400 0.031 0.000 0.810 705 E CB 0.136 29.830 29.700 -0.010 0.000 0.736 705 E HN 0.777 nan 8.360 nan 0.000 0.460 706 E N 0.689 120.889 120.200 -0.001 0.000 2.077 706 E HA -0.134 4.216 4.350 -0.001 0.000 0.193 706 E C 1.296 177.848 176.600 -0.080 0.000 0.989 706 E CA 0.778 57.144 56.400 -0.056 0.000 0.800 706 E CB -0.371 29.302 29.700 -0.045 0.000 0.746 706 E HN 0.127 nan 8.360 nan 0.000 0.452 707 N N -0.114 118.591 118.700 0.009 0.000 2.471 707 N HA 0.067 4.807 4.740 -0.001 0.000 0.205 707 N C -1.037 174.511 175.510 0.064 0.000 1.251 707 N CA 0.333 53.391 53.050 0.014 0.000 0.843 707 N CB -0.075 38.434 38.487 0.036 0.000 1.044 707 N HN 0.028 nan 8.380 nan 0.000 0.461 708 F N -0.934 118.971 119.950 -0.075 0.000 2.604 708 F HA 0.243 4.769 4.527 -0.001 0.000 0.316 708 F C -0.572 175.215 175.800 -0.021 0.000 1.136 708 F CA -1.372 56.658 58.000 0.051 0.000 0.989 708 F CB 0.717 39.740 39.000 0.039 0.000 1.258 708 F HN -0.215 nan 8.300 nan 0.000 0.451 709 F N 4.830 124.970 119.950 0.317 0.000 2.676 709 F HA 0.221 4.748 4.527 -0.001 0.000 0.300 709 F C 0.871 176.818 175.800 0.246 0.000 1.160 709 F CA -0.252 57.864 58.000 0.192 0.000 1.401 709 F CB -0.629 38.412 39.000 0.068 0.000 1.037 709 F HN 0.122 nan 8.300 nan 0.000 0.522 710 I N 2.486 123.272 120.570 0.361 0.000 3.114 710 I HA -0.234 3.936 4.170 -0.001 0.000 0.320 710 I C 0.291 176.572 176.117 0.273 0.000 1.230 710 I CA 0.866 62.300 61.300 0.224 0.000 1.440 710 I CB -1.485 36.512 38.000 -0.005 0.000 1.334 710 I HN 0.166 nan 8.210 nan 0.000 0.532 711 F N 5.088 125.073 119.950 0.059 0.000 2.980 711 F HA 0.842 5.369 4.527 -0.001 0.000 0.335 711 F C 0.656 176.474 175.800 0.030 0.000 1.210 711 F CA -0.182 57.847 58.000 0.048 0.000 0.986 711 F CB 0.423 39.474 39.000 0.085 0.000 1.469 711 F HN 0.703 nan 8.300 nan 0.000 0.519 712 G N 1.253 109.608 108.800 -0.741 0.000 2.598 712 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.269 712 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.269 712 G C -0.258 174.418 174.900 -0.372 0.000 1.289 712 G CA -0.027 44.610 45.100 -0.772 0.000 0.926 712 G HN 0.965 nan 8.290 nan 0.000 0.567 713 M N 0.803 120.227 119.600 -0.292 0.000 2.245 713 M HA 0.120 4.599 4.480 -0.001 0.000 0.335 713 M C 1.181 177.390 176.300 -0.151 0.000 1.155 713 M CA 0.382 55.584 55.300 -0.163 0.000 1.055 713 M CB 0.246 32.777 32.600 -0.115 0.000 1.670 713 M HN 0.559 nan 8.290 nan 0.000 0.447 714 R N 1.960 122.403 120.500 -0.095 0.000 2.730 714 R HA 0.381 4.721 4.340 -0.001 0.000 0.228 714 R C 1.165 177.429 176.300 -0.060 0.000 1.312 714 R CA -0.623 55.429 56.100 -0.080 0.000 1.093 714 R CB -0.254 30.009 30.300 -0.060 0.000 1.583 714 R HN 0.552 nan 8.270 nan 0.000 0.535 715 V N 1.109 120.993 119.914 -0.049 0.000 2.295 715 V HA -0.205 3.915 4.120 -0.001 0.000 0.246 715 V C 2.407 178.483 176.094 -0.030 0.000 1.049 715 V CA 1.749 64.025 62.300 -0.040 0.000 1.024 715 V CB -0.505 31.296 31.823 -0.036 0.000 0.648 715 V HN 0.648 nan 8.190 nan 0.000 0.447 716 E N 0.840 121.025 120.200 -0.026 0.000 2.055 716 E HA -0.320 4.029 4.350 -0.001 0.000 0.209 716 E C 1.984 178.578 176.600 -0.009 0.000 1.036 716 E CA 2.313 58.703 56.400 -0.016 0.000 0.849 716 E CB -0.344 29.347 29.700 -0.014 0.000 0.767 716 E HN 0.690 nan 8.360 nan 0.000 0.461 717 D N -0.046 120.349 120.400 -0.008 0.000 2.149 717 D HA -0.142 4.498 4.640 -0.001 0.000 0.198 717 D C 2.175 178.481 176.300 0.011 0.000 0.990 717 D CA 1.121 55.126 54.000 0.008 0.000 0.839 717 D CB -0.272 40.534 40.800 0.010 0.000 0.948 717 D HN 0.163 nan 8.370 nan 0.000 0.460 718 V N 1.665 121.573 119.914 -0.009 0.000 2.270 718 V HA -0.224 3.895 4.120 -0.001 0.000 0.245 718 V C 1.892 177.979 176.094 -0.012 0.000 1.043 718 V CA 1.858 64.149 62.300 -0.016 0.000 1.014 718 V CB -0.714 31.087 31.823 -0.036 0.000 0.645 718 V HN -0.034 nan 8.190 nan 0.000 0.447 719 D N -0.003 120.387 120.400 -0.016 0.000 2.149 719 D HA -0.182 4.458 4.640 -0.001 0.000 0.194 719 D C 2.404 178.703 176.300 -0.001 0.000 1.001 719 D CA 1.299 55.291 54.000 -0.014 0.000 0.849 719 D CB -0.233 40.557 40.800 -0.016 0.000 0.939 719 D HN 0.269 nan 8.370 nan 0.000 0.449 720 R N -0.366 120.139 120.500 0.008 0.000 2.115 720 R HA -0.018 4.322 4.340 -0.001 0.000 0.226 720 R C 1.997 178.319 176.300 0.036 0.000 1.100 720 R CA 0.375 56.486 56.100 0.018 0.000 0.980 720 R CB -0.394 29.919 30.300 0.020 0.000 0.875 720 R HN 0.246 nan 8.270 nan 0.000 0.445 721 L N 1.251 122.504 121.223 0.050 0.000 2.341 721 L HA -0.013 4.327 4.340 -0.001 0.000 0.214 721 L C 1.212 178.127 176.870 0.074 0.000 1.115 721 L CA 1.639 56.533 54.840 0.090 0.000 0.820 721 L CB -0.169 41.973 42.059 0.139 0.000 0.944 721 L HN -0.041 nan 8.230 nan 0.000 0.452 722 D N -0.930 119.488 120.400 0.031 0.000 2.194 722 D HA -0.177 4.462 4.640 -0.001 0.000 0.204 722 D C 1.813 178.122 176.300 0.015 0.000 0.964 722 D CA 0.829 54.837 54.000 0.014 0.000 0.846 722 D CB 0.252 41.042 40.800 -0.017 0.000 0.962 722 D HN 0.537 nan 8.370 nan 0.000 0.490 723 Q N 0.945 120.753 119.800 0.014 0.000 1.994 723 Q HA -0.140 4.199 4.340 -0.001 0.000 0.198 723 Q C 1.775 177.785 176.000 0.017 0.000 0.976 723 Q CA 1.031 56.840 55.803 0.010 0.000 0.828 723 Q CB 0.122 28.865 28.738 0.007 0.000 0.894 723 Q HN 0.084 nan 8.270 nan 0.000 0.432 724 R N -0.137 120.378 120.500 0.026 0.000 2.328 724 R HA 0.216 4.555 4.340 -0.001 0.000 0.206 724 R C 0.057 176.373 176.300 0.027 0.000 0.990 724 R CA 0.737 56.851 56.100 0.024 0.000 1.085 724 R CB -0.420 29.896 30.300 0.028 0.000 0.998 724 R HN 0.228 nan 8.270 nan 0.000 0.484 725 G N 0.576 109.400 108.800 0.040 0.000 3.129 725 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.686 725 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.686 725 G C -1.090 173.862 174.900 0.086 0.000 0.989 725 G CA -0.057 45.072 45.100 0.047 0.000 0.810 725 G HN 0.481 nan 8.290 nan 0.000 0.539 726 Y N 3.337 123.629 120.300 -0.013 0.000 2.328 726 Y HA 0.654 5.204 4.550 -0.001 0.000 0.337 726 Y C 0.167 176.054 175.900 -0.022 0.000 1.008 726 Y CA -0.882 57.217 58.100 -0.002 0.000 1.129 726 Y CB 1.234 39.711 38.460 0.027 0.000 1.185 726 Y HN 0.721 nan 8.280 nan 0.000 0.476 727 N N 4.415 122.800 118.700 -0.526 0.000 2.354 727 N HA 0.486 5.225 4.740 -0.001 0.000 0.287 727 N C 0.041 175.115 175.510 -0.727 0.000 1.016 727 N CA 0.006 52.765 53.050 -0.485 0.000 0.871 727 N CB 1.702 40.031 38.487 -0.262 0.000 1.299 727 N HN 0.885 nan 8.380 nan 0.000 0.482 728 A N 2.750 125.197 122.820 -0.622 0.000 1.968 728 A HA -0.150 4.170 4.320 -0.001 0.000 0.217 728 A C 1.978 179.565 177.584 0.006 0.000 1.169 728 A CA 1.059 52.892 52.037 -0.341 0.000 0.638 728 A CB -0.463 18.383 19.000 -0.257 0.000 0.812 728 A HN 0.807 nan 8.150 nan 0.000 0.446 729 Q N 0.952 120.735 119.800 -0.028 0.000 2.112 729 Q HA -0.259 4.080 4.340 -0.001 0.000 0.206 729 Q C 1.863 177.929 176.000 0.110 0.000 0.987 729 Q CA 2.529 58.370 55.803 0.064 0.000 0.858 729 Q CB -0.471 28.276 28.738 0.014 0.000 0.905 729 Q HN 0.854 nan 8.270 nan 0.000 0.420 730 E N -1.537 118.626 120.200 -0.061 0.000 2.130 730 E HA -0.266 4.083 4.350 -0.001 0.000 0.196 730 E C 1.457 178.035 176.600 -0.037 0.000 0.998 730 E CA 1.569 57.910 56.400 -0.098 0.000 0.806 730 E CB -0.618 28.934 29.700 -0.247 0.000 0.738 730 E HN 0.491 nan 8.360 nan 0.000 0.459 731 Y N -0.450 119.920 120.300 0.116 0.000 2.314 731 Y HA -0.101 4.449 4.550 -0.001 0.000 0.293 731 Y C 2.229 178.169 175.900 0.065 0.000 1.129 731 Y CA 0.781 58.944 58.100 0.105 0.000 1.201 731 Y CB -0.887 37.677 38.460 0.173 0.000 0.999 731 Y HN 0.245 nan 8.280 nan 0.000 0.541 732 Y N 0.792 121.171 120.300 0.132 0.000 2.242 732 Y HA -0.193 4.357 4.550 -0.001 0.000 0.291 732 Y C 1.930 177.826 175.900 -0.007 0.000 1.137 732 Y CA 1.705 59.808 58.100 0.004 0.000 1.181 732 Y CB -0.359 38.164 38.460 0.105 0.000 0.989 732 Y HN 0.016 nan 8.280 nan 0.000 0.527 733 D N 0.234 120.720 120.400 0.144 0.000 2.224 733 D HA -0.136 4.504 4.640 -0.001 0.000 0.205 733 D C 2.197 178.461 176.300 -0.060 0.000 0.965 733 D CA 1.300 55.292 54.000 -0.014 0.000 0.852 733 D CB -0.018 40.848 40.800 0.110 0.000 0.947 733 D HN 0.627 nan 8.370 nan 0.000 0.494 734 R N 0.637 121.135 120.500 -0.004 0.000 2.046 734 R HA 0.057 4.397 4.340 -0.001 0.000 0.223 734 R C 1.241 177.515 176.300 -0.043 0.000 1.179 734 R CA 0.123 56.222 56.100 -0.001 0.000 0.952 734 R CB -0.890 29.447 30.300 0.061 0.000 0.843 734 R HN -0.039 nan 8.270 nan 0.000 0.439 735 I N 3.784 124.331 120.570 -0.038 0.000 2.664 735 I HA -0.010 4.160 4.170 -0.001 0.000 0.284 735 I C -1.730 174.288 176.117 -0.166 0.000 1.154 735 I CA -1.379 59.874 61.300 -0.078 0.000 1.402 735 I CB 1.289 39.234 38.000 -0.091 0.000 1.395 735 I HN 0.225 nan 8.210 nan 0.000 0.545 736 P HA -0.002 nan 4.420 nan 0.000 0.220 736 P C 0.796 178.024 177.300 -0.121 0.000 1.154 736 P CA 0.728 63.754 63.100 -0.123 0.000 0.837 736 P CB 0.292 31.950 31.700 -0.069 0.000 0.815 737 E N -0.294 119.862 120.200 -0.073 0.000 2.216 737 E HA -0.042 4.308 4.350 -0.001 0.000 0.192 737 E C 1.916 178.450 176.600 -0.110 0.000 0.988 737 E CA 0.365 56.741 56.400 -0.038 0.000 0.834 737 E CB -0.948 28.786 29.700 0.057 0.000 0.772 737 E HN 0.143 nan 8.360 nan 0.000 0.479 738 L N 0.772 121.827 121.223 -0.280 0.000 2.017 738 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 738 L C 2.552 179.263 176.870 -0.265 0.000 1.073 738 L CA 1.426 55.995 54.840 -0.452 0.000 0.745 738 L CB -0.048 41.550 42.059 -0.768 0.000 0.894 738 L HN 0.031 nan 8.230 nan 0.000 0.432 739 R N -0.577 119.720 120.500 -0.338 0.000 2.096 739 R HA -0.266 4.073 4.340 -0.001 0.000 0.240 739 R C 2.367 178.582 176.300 -0.142 0.000 1.139 739 R CA 2.318 58.142 56.100 -0.460 0.000 0.952 739 R CB -0.473 29.470 30.300 -0.595 0.000 0.854 739 R HN 0.569 nan 8.270 nan 0.000 0.436 740 Q N 0.972 120.701 119.800 -0.117 0.000 2.002 740 Q HA -0.198 4.141 4.340 -0.001 0.000 0.204 740 Q C 2.210 178.228 176.000 0.030 0.000 0.988 740 Q CA 2.396 58.174 55.803 -0.042 0.000 0.843 740 Q CB -0.327 28.381 28.738 -0.049 0.000 0.908 740 Q HN 0.623 nan 8.270 nan 0.000 0.420 741 I N -1.857 118.747 120.570 0.056 0.000 2.394 741 I HA -0.192 3.978 4.170 -0.001 0.000 0.251 741 I C 2.048 178.274 176.117 0.182 0.000 1.136 741 I CA 0.710 62.105 61.300 0.158 0.000 1.425 741 I CB -0.483 37.626 38.000 0.182 0.000 1.079 741 I HN 0.149 nan 8.210 nan 0.000 0.425 742 I N 1.844 122.507 120.570 0.154 0.000 2.252 742 I HA -0.180 3.989 4.170 -0.001 0.000 0.245 742 I C 2.708 178.946 176.117 0.201 0.000 1.102 742 I CA 1.467 62.891 61.300 0.207 0.000 1.385 742 I CB -1.128 37.043 38.000 0.285 0.000 1.064 742 I HN 0.319 nan 8.210 nan 0.000 0.414 743 E N 0.465 120.776 120.200 0.185 0.000 2.153 743 E HA -0.222 4.127 4.350 -0.001 0.000 0.194 743 E C 2.126 178.802 176.600 0.127 0.000 0.988 743 E CA 0.898 57.386 56.400 0.146 0.000 0.811 743 E CB -0.184 29.581 29.700 0.108 0.000 0.746 743 E HN 0.574 nan 8.360 nan 0.000 0.466 744 Q N 0.192 120.075 119.800 0.139 0.000 2.050 744 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 744 Q C 2.434 178.606 176.000 0.287 0.000 0.980 744 Q CA 1.064 56.968 55.803 0.170 0.000 0.840 744 Q CB -0.105 28.785 28.738 0.255 0.000 0.898 744 Q HN 0.250 nan 8.270 nan 0.000 0.424 745 L N -0.150 121.266 121.223 0.321 0.000 2.046 745 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 745 L C 2.377 179.423 176.870 0.293 0.000 1.077 745 L CA 1.020 56.073 54.840 0.355 0.000 0.747 745 L CB -0.410 41.803 42.059 0.256 0.000 0.896 745 L HN 0.164 nan 8.230 nan 0.000 0.432 746 S N -0.133 115.694 115.700 0.211 0.000 2.383 746 S HA -0.138 4.331 4.470 -0.001 0.000 0.227 746 S C 2.139 176.826 174.600 0.146 0.000 1.026 746 S CA 1.379 59.678 58.200 0.165 0.000 0.981 746 S CB -0.257 63.016 63.200 0.123 0.000 0.818 746 S HN 0.580 nan 8.310 nan 0.000 0.472 747 S N 1.022 116.805 115.700 0.138 0.000 2.442 747 S HA 0.150 4.620 4.470 -0.001 0.000 0.236 747 S C 1.546 176.223 174.600 0.129 0.000 1.007 747 S CA 0.683 58.948 58.200 0.108 0.000 0.965 747 S CB -0.790 62.457 63.200 0.078 0.000 0.773 747 S HN 0.919 nan 8.310 nan 0.000 0.504 748 G N 0.866 109.776 108.800 0.184 0.000 2.204 748 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.244 748 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.244 748 G C 0.069 175.083 174.900 0.191 0.000 1.062 748 G CA 0.145 45.355 45.100 0.184 0.000 0.798 748 G HN 0.418 nan 8.290 nan 0.000 0.496 749 F N 0.720 120.671 119.950 0.001 0.000 2.046 749 F HA 0.157 4.683 4.527 -0.001 0.000 0.297 749 F C 1.758 177.451 175.800 -0.178 0.000 1.123 749 F CA 1.183 59.073 58.000 -0.184 0.000 1.199 749 F CB -0.440 38.317 39.000 -0.404 0.000 0.972 749 F HN 0.154 nan 8.300 nan 0.000 0.474 750 F N 0.940 120.877 119.950 -0.023 0.000 2.757 750 F HA 0.192 4.719 4.527 -0.001 0.000 0.292 750 F C 0.677 176.512 175.800 0.059 0.000 1.204 750 F CA 0.537 58.446 58.000 -0.151 0.000 1.417 750 F CB -0.810 38.111 39.000 -0.132 0.000 1.001 750 F HN 0.118 nan 8.300 nan 0.000 0.508 751 S N -2.546 113.244 115.700 0.151 0.000 2.565 751 S HA 0.088 4.557 4.470 -0.001 0.000 0.207 751 S C -1.787 172.828 174.600 0.025 0.000 0.769 751 S CA -0.616 57.615 58.200 0.053 0.000 0.945 751 S CB -0.262 62.912 63.200 -0.043 0.000 1.653 751 S HN 0.037 nan 8.310 nan 0.000 0.509 752 P HA -0.237 nan 4.420 nan 0.000 0.218 752 P C 0.973 178.288 177.300 0.026 0.000 1.150 752 P CA 1.508 64.633 63.100 0.041 0.000 0.841 752 P CB -0.073 31.654 31.700 0.044 0.000 0.784 753 K N -1.053 119.356 120.400 0.014 0.000 2.217 753 K HA -0.047 4.273 4.320 -0.001 0.000 0.202 753 K C 0.444 177.047 176.600 0.006 0.000 1.051 753 K CA 0.881 57.176 56.287 0.013 0.000 0.952 753 K CB -0.060 32.449 32.500 0.015 0.000 0.736 753 K HN 0.249 nan 8.250 nan 0.000 0.453 754 Q N -1.156 118.636 119.800 -0.013 0.000 3.147 754 Q HA 0.171 4.510 4.340 -0.001 0.000 0.224 754 Q C -2.492 173.483 176.000 -0.041 0.000 0.901 754 Q CA -1.192 54.598 55.803 -0.022 0.000 0.729 754 Q CB 1.699 30.418 28.738 -0.033 0.000 1.363 754 Q HN -0.142 nan 8.270 nan 0.000 0.467 755 P HA -0.182 nan 4.420 nan 0.000 0.217 755 P C 0.525 177.852 177.300 0.045 0.000 1.151 755 P CA 1.203 64.326 63.100 0.038 0.000 0.828 755 P CB 0.310 32.044 31.700 0.058 0.000 0.788 756 D N 0.035 120.453 120.400 0.029 0.000 2.172 756 D HA -0.215 4.425 4.640 -0.001 0.000 0.196 756 D C 1.938 178.242 176.300 0.007 0.000 0.999 756 D CA 0.944 54.963 54.000 0.033 0.000 0.856 756 D CB -1.039 39.778 40.800 0.027 0.000 0.934 756 D HN 0.100 nan 8.370 nan 0.000 0.453 757 L N 0.152 121.323 121.223 -0.087 0.000 2.054 757 L HA -0.244 4.095 4.340 -0.001 0.000 0.220 757 L C 1.800 178.542 176.870 -0.214 0.000 1.081 757 L CA 1.657 56.369 54.840 -0.212 0.000 0.780 757 L CB -0.593 41.169 42.059 -0.494 0.000 0.893 757 L HN -0.084 nan 8.230 nan 0.000 0.438 758 F N -0.586 119.406 119.950 0.071 0.000 2.695 758 F HA 0.062 4.588 4.527 -0.001 0.000 0.301 758 F C 1.921 177.763 175.800 0.070 0.000 1.182 758 F CA -0.125 57.911 58.000 0.060 0.000 1.412 758 F CB -0.771 38.259 39.000 0.050 0.000 1.056 758 F HN -0.014 nan 8.300 nan 0.000 0.522 759 K N 0.786 121.306 120.400 0.201 0.000 2.103 759 K HA -0.180 4.140 4.320 -0.001 0.000 0.207 759 K C 1.332 178.015 176.600 0.138 0.000 1.048 759 K CA 1.713 58.088 56.287 0.147 0.000 0.930 759 K CB -0.418 32.145 32.500 0.105 0.000 0.716 759 K HN 0.375 nan 8.250 nan 0.000 0.444 760 D N -0.078 120.427 120.400 0.175 0.000 2.317 760 D HA -0.073 4.566 4.640 -0.001 0.000 0.211 760 D C 1.882 178.270 176.300 0.147 0.000 0.966 760 D CA 0.457 54.562 54.000 0.176 0.000 0.876 760 D CB -0.365 40.582 40.800 0.245 0.000 0.927 760 D HN 0.207 nan 8.370 nan 0.000 0.519 761 I N 0.494 121.157 120.570 0.155 0.000 2.286 761 I HA -0.182 3.987 4.170 -0.001 0.000 0.245 761 I C 2.136 178.270 176.117 0.028 0.000 1.104 761 I CA 0.465 61.820 61.300 0.091 0.000 1.397 761 I CB -0.222 37.819 38.000 0.069 0.000 1.072 761 I HN -0.053 nan 8.210 nan 0.000 0.417 762 V N 1.730 121.672 119.914 0.047 0.000 2.220 762 V HA -0.320 3.799 4.120 -0.001 0.000 0.246 762 V C 2.046 178.057 176.094 -0.139 0.000 1.049 762 V CA 2.579 64.876 62.300 -0.004 0.000 1.003 762 V CB -1.145 30.695 31.823 0.028 0.000 0.634 762 V HN 0.423 nan 8.190 nan 0.000 0.444 763 N N -0.334 118.272 118.700 -0.156 0.000 2.192 763 N HA -0.211 4.528 4.740 -0.001 0.000 0.188 763 N C 1.756 177.005 175.510 -0.436 0.000 1.013 763 N CA 1.545 54.430 53.050 -0.276 0.000 0.863 763 N CB -0.304 38.153 38.487 -0.051 0.000 0.990 763 N HN 0.377 nan 8.380 nan 0.000 0.430 764 M N 0.095 119.458 119.600 -0.396 0.000 2.067 764 M HA -0.120 4.359 4.480 -0.001 0.000 0.260 764 M C 1.388 177.376 176.300 -0.519 0.000 1.069 764 M CA 1.473 56.366 55.300 -0.679 0.000 1.117 764 M CB -0.340 32.168 32.600 -0.153 0.000 1.334 764 M HN 0.139 nan 8.290 nan 0.000 0.407 765 L N 0.561 121.588 121.223 -0.326 0.000 1.961 765 L HA -0.192 4.147 4.340 -0.001 0.000 0.209 765 L C 2.572 179.154 176.870 -0.479 0.000 1.075 765 L CA 1.624 56.216 54.840 -0.413 0.000 0.749 765 L CB -1.534 40.305 42.059 -0.367 0.000 0.890 765 L HN 0.322 nan 8.230 nan 0.000 0.433 766 M N -0.792 118.582 119.600 -0.378 0.000 2.124 766 M HA -0.278 4.201 4.480 -0.001 0.000 0.253 766 M C 2.242 178.483 176.300 -0.098 0.000 1.077 766 M CA 1.967 57.098 55.300 -0.283 0.000 1.085 766 M CB -1.149 31.175 32.600 -0.459 0.000 1.320 766 M HN 0.389 nan 8.290 nan 0.000 0.404 767 H N -2.634 116.326 119.070 -0.184 0.000 2.408 767 H HA 0.160 4.716 4.556 -0.001 0.000 0.271 767 H C 0.465 175.771 175.328 -0.037 0.000 0.957 767 H CA 1.020 57.014 56.048 -0.089 0.000 1.170 767 H CB -0.377 29.384 29.762 -0.002 0.000 1.458 767 H HN 0.584 nan 8.280 nan 0.000 0.491 768 H N -0.735 118.398 119.070 0.104 0.000 2.386 768 H HA 0.401 4.957 4.556 -0.001 0.000 0.232 768 H C -1.209 174.140 175.328 0.035 0.000 1.416 768 H CA -0.840 55.250 56.048 0.070 0.000 1.285 768 H CB 0.160 29.956 29.762 0.056 0.000 1.625 768 H HN -0.069 nan 8.280 nan 0.000 0.521 769 D N 1.145 121.573 120.400 0.047 0.000 2.329 769 D HA 0.131 4.771 4.640 -0.001 0.000 0.232 769 D C 1.084 177.281 176.300 -0.170 0.000 1.088 769 D CA -0.686 53.300 54.000 -0.024 0.000 0.835 769 D CB 1.272 42.046 40.800 -0.043 0.000 1.078 769 D HN 0.560 nan 8.370 nan 0.000 0.495 770 R N 2.738 123.033 120.500 -0.342 0.000 2.119 770 R HA 0.006 4.346 4.340 -0.001 0.000 0.222 770 R C 0.791 176.677 176.300 -0.690 0.000 1.088 770 R CA 1.085 56.808 56.100 -0.628 0.000 0.984 770 R CB 0.011 29.735 30.300 -0.959 0.000 0.884 770 R HN 0.354 nan 8.270 nan 0.000 0.447 771 F N 0.667 120.536 119.950 -0.136 0.000 2.727 771 F HA 0.301 4.828 4.527 -0.001 0.000 0.302 771 F C 0.037 175.723 175.800 -0.191 0.000 1.097 771 F CA -0.243 57.679 58.000 -0.131 0.000 1.330 771 F CB 0.325 39.296 39.000 -0.049 0.000 1.084 771 F HN -0.187 nan 8.300 nan 0.000 0.578 772 K N -0.658 119.585 120.400 -0.262 0.000 3.239 772 K HA -0.155 4.165 4.320 -0.001 0.000 0.270 772 K C 0.864 177.472 176.600 0.012 0.000 1.049 772 K CA 0.345 56.433 56.287 -0.333 0.000 0.769 772 K CB -2.076 30.230 32.500 -0.322 0.000 1.305 772 K HN 0.174 nan 8.250 nan 0.000 0.469 773 V N 0.006 119.976 119.914 0.093 0.000 2.216 773 V HA -0.285 3.834 4.120 -0.001 0.000 0.243 773 V C 1.952 178.252 176.094 0.343 0.000 1.044 773 V CA 2.228 64.635 62.300 0.179 0.000 0.995 773 V CB -0.416 31.510 31.823 0.172 0.000 0.633 773 V HN 0.465 nan 8.190 nan 0.000 0.446 774 F N 0.935 121.004 119.950 0.197 0.000 2.111 774 F HA -0.296 4.230 4.527 -0.001 0.000 0.300 774 F C 2.525 178.318 175.800 -0.011 0.000 1.088 774 F CA 1.317 59.420 58.000 0.172 0.000 1.243 774 F CB -1.807 37.355 39.000 0.270 0.000 0.996 774 F HN 0.186 nan 8.300 nan 0.000 0.483 775 A N -0.305 122.663 122.820 0.248 0.000 1.927 775 A HA -0.230 4.089 4.320 -0.001 0.000 0.220 775 A C 1.733 179.274 177.584 -0.072 0.000 1.185 775 A CA 2.289 54.288 52.037 -0.063 0.000 0.639 775 A CB -0.755 18.378 19.000 0.222 0.000 0.820 775 A HN 0.322 nan 8.150 nan 0.000 0.451 776 D N -2.726 117.707 120.400 0.054 0.000 2.368 776 D HA 0.132 4.771 4.640 -0.001 0.000 0.218 776 D C 1.020 177.446 176.300 0.210 0.000 1.112 776 D CA -0.089 53.961 54.000 0.083 0.000 0.834 776 D CB -0.084 40.709 40.800 -0.012 0.000 0.953 776 D HN 0.608 nan 8.370 nan 0.000 0.505 777 Y N 2.214 122.565 120.300 0.084 0.000 2.070 777 Y HA -0.279 4.271 4.550 -0.001 0.000 0.279 777 Y C 2.320 178.300 175.900 0.134 0.000 1.134 777 Y CA 2.004 60.175 58.100 0.118 0.000 1.113 777 Y CB 0.040 38.517 38.460 0.030 0.000 0.981 777 Y HN -0.171 nan 8.280 nan 0.000 0.487 778 E N 0.901 121.238 120.200 0.227 0.000 2.065 778 E HA -0.303 4.046 4.350 -0.001 0.000 0.201 778 E C 2.193 178.806 176.600 0.021 0.000 1.016 778 E CA 2.220 58.702 56.400 0.137 0.000 0.818 778 E CB -0.604 29.177 29.700 0.135 0.000 0.749 778 E HN 0.714 nan 8.360 nan 0.000 0.453 779 E N -1.545 118.726 120.200 0.119 0.000 2.031 779 E HA -0.226 4.123 4.350 -0.001 0.000 0.193 779 E C 2.109 178.768 176.600 0.098 0.000 0.994 779 E CA 1.110 57.616 56.400 0.176 0.000 0.800 779 E CB -0.480 29.418 29.700 0.330 0.000 0.752 779 E HN 0.380 nan 8.360 nan 0.000 0.447 780 Y N 1.338 121.627 120.300 -0.018 0.000 2.030 780 Y HA -0.347 4.202 4.550 -0.001 0.000 0.272 780 Y C 2.239 177.797 175.900 -0.569 0.000 1.185 780 Y CA 2.291 60.103 58.100 -0.479 0.000 1.120 780 Y CB -0.843 37.430 38.460 -0.312 0.000 0.955 780 Y HN 0.101 nan 8.280 nan 0.000 0.495 781 V N -1.092 118.453 119.914 -0.616 0.000 2.332 781 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 781 V C 2.084 177.926 176.094 -0.420 0.000 1.055 781 V CA 2.365 64.283 62.300 -0.638 0.000 1.038 781 V CB -0.824 30.708 31.823 -0.485 0.000 0.651 781 V HN 0.253 nan 8.190 nan 0.000 0.450 782 K N -0.077 120.164 120.400 -0.264 0.000 2.296 782 K HA 0.050 4.369 4.320 -0.001 0.000 0.200 782 K C 2.171 178.673 176.600 -0.164 0.000 1.048 782 K CA 1.396 57.589 56.287 -0.157 0.000 0.966 782 K CB -1.200 31.259 32.500 -0.069 0.000 0.754 782 K HN 0.645 nan 8.250 nan 0.000 0.466 783 C N 1.294 120.445 119.300 -0.248 0.000 2.485 783 C HA 0.053 4.513 4.460 -0.001 0.000 0.278 783 C C 2.497 177.344 174.990 -0.239 0.000 1.356 783 C CA 0.334 59.230 59.018 -0.205 0.000 1.747 783 C CB -0.284 27.260 27.740 -0.327 0.000 2.001 783 C HN 0.402 nan 8.230 nan 0.000 0.501 784 Q N 0.548 120.056 119.800 -0.487 0.000 2.172 784 Q HA -0.118 4.221 4.340 -0.001 0.000 0.200 784 Q C 1.939 177.799 176.000 -0.234 0.000 0.964 784 Q CA 1.289 56.811 55.803 -0.469 0.000 0.855 784 Q CB -0.286 27.906 28.738 -0.911 0.000 0.918 784 Q HN 0.747 nan 8.270 nan 0.000 0.444 785 E N 0.182 120.265 120.200 -0.195 0.000 2.204 785 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 785 E C 2.021 178.618 176.600 -0.005 0.000 0.990 785 E CA 0.582 56.929 56.400 -0.089 0.000 0.821 785 E CB 0.054 29.704 29.700 -0.083 0.000 0.750 785 E HN 0.258 nan 8.360 nan 0.000 0.477 786 R N 0.396 120.919 120.500 0.039 0.000 2.061 786 R HA -0.113 4.227 4.340 -0.001 0.000 0.230 786 R C 2.547 179.014 176.300 0.279 0.000 1.140 786 R CA 1.581 57.776 56.100 0.159 0.000 0.940 786 R CB -0.830 29.581 30.300 0.186 0.000 0.839 786 R HN 0.084 nan 8.270 nan 0.000 0.429 787 V N 1.087 121.167 119.914 0.275 0.000 2.278 787 V HA -0.253 3.866 4.120 -0.001 0.000 0.251 787 V C 1.918 178.092 176.094 0.132 0.000 1.062 787 V CA 2.197 64.553 62.300 0.092 0.000 1.038 787 V CB -0.658 30.998 31.823 -0.279 0.000 0.646 787 V HN 0.271 nan 8.190 nan 0.000 0.447 788 S N -0.198 115.529 115.700 0.046 0.000 2.650 788 S HA 0.353 4.823 4.470 -0.001 0.000 0.219 788 S C 1.803 176.443 174.600 0.067 0.000 0.960 788 S CA 0.631 58.853 58.200 0.038 0.000 0.925 788 S CB 0.043 63.217 63.200 -0.043 0.000 0.775 788 S HN 0.666 nan 8.310 nan 0.000 0.525 789 A N 1.381 124.267 122.820 0.109 0.000 1.871 789 A HA 0.219 4.538 4.320 -0.001 0.000 0.211 789 A C 1.859 179.545 177.584 0.171 0.000 1.207 789 A CA 0.471 52.578 52.037 0.118 0.000 0.620 789 A CB -0.672 18.394 19.000 0.109 0.000 0.860 789 A HN 0.412 nan 8.150 nan 0.000 0.450 790 L N -1.306 120.071 121.223 0.257 0.000 2.187 790 L HA -0.160 4.180 4.340 -0.001 0.000 0.213 790 L C 2.238 179.371 176.870 0.438 0.000 1.100 790 L CA 1.573 56.643 54.840 0.383 0.000 0.765 790 L CB -0.679 41.694 42.059 0.523 0.000 0.904 790 L HN 0.542 nan 8.230 nan 0.000 0.437 791 Y N 0.835 121.148 120.300 0.023 0.000 2.165 791 Y HA -0.257 4.293 4.550 -0.001 0.000 0.286 791 Y C 2.024 177.687 175.900 -0.395 0.000 1.155 791 Y CA 1.701 59.421 58.100 -0.632 0.000 1.164 791 Y CB -0.213 37.939 38.460 -0.514 0.000 0.978 791 Y HN 0.165 nan 8.280 nan 0.000 0.513 792 K N 1.036 121.356 120.400 -0.134 0.000 3.041 792 K HA 0.032 4.352 4.320 -0.001 0.000 0.243 792 K C -0.471 176.121 176.600 -0.012 0.000 1.167 792 K CA 0.183 56.409 56.287 -0.102 0.000 1.235 792 K CB -0.839 31.702 32.500 0.067 0.000 1.205 792 K HN 0.207 nan 8.250 nan 0.000 0.448 793 N N 0.884 119.592 118.700 0.013 0.000 2.687 793 N HA 0.207 4.946 4.740 -0.001 0.000 0.275 793 N C -2.496 173.066 175.510 0.086 0.000 1.789 793 N CA -1.806 51.283 53.050 0.064 0.000 0.806 793 N CB 1.387 39.944 38.487 0.117 0.000 1.256 793 N HN 0.008 nan 8.380 nan 0.000 0.500 794 P HA -0.122 nan 4.420 nan 0.000 0.217 794 P C 1.417 178.784 177.300 0.111 0.000 1.148 794 P CA 1.016 64.120 63.100 0.005 0.000 0.828 794 P CB 0.441 32.078 31.700 -0.104 0.000 0.783 795 R N -0.036 120.510 120.500 0.077 0.000 2.064 795 R HA -0.134 4.205 4.340 -0.001 0.000 0.228 795 R C 2.117 178.479 176.300 0.103 0.000 1.144 795 R CA 1.387 57.533 56.100 0.077 0.000 0.932 795 R CB -0.568 29.762 30.300 0.050 0.000 0.833 795 R HN 0.045 nan 8.270 nan 0.000 0.429 796 E N -0.310 119.953 120.200 0.106 0.000 2.160 796 E HA -0.235 4.114 4.350 -0.001 0.000 0.195 796 E C 1.515 178.187 176.600 0.120 0.000 0.991 796 E CA 0.862 57.320 56.400 0.097 0.000 0.810 796 E CB -0.340 29.418 29.700 0.095 0.000 0.742 796 E HN 0.418 nan 8.360 nan 0.000 0.466 797 W N 1.842 123.164 121.300 0.036 0.000 2.332 797 W HA -0.225 4.434 4.660 -0.001 0.000 0.321 797 W C 2.370 178.912 176.519 0.040 0.000 1.219 797 W CA 2.812 60.192 57.345 0.058 0.000 1.277 797 W CB -0.665 28.821 29.460 0.043 0.000 1.161 797 W HN 0.009 nan 8.180 nan 0.000 0.476 798 T N 0.538 115.211 114.554 0.198 0.000 2.881 798 T HA -0.181 4.169 4.350 -0.001 0.000 0.270 798 T C 1.763 176.446 174.700 -0.029 0.000 1.068 798 T CA 1.422 63.569 62.100 0.078 0.000 1.131 798 T CB -0.332 68.596 68.868 0.100 0.000 0.871 798 T HN 0.188 nan 8.240 nan 0.000 0.479 799 R N 0.385 120.882 120.500 -0.005 0.000 2.092 799 R HA 0.156 4.495 4.340 -0.001 0.000 0.231 799 R C 2.433 178.697 176.300 -0.060 0.000 1.119 799 R CA 0.934 57.026 56.100 -0.014 0.000 0.970 799 R CB -0.369 29.941 30.300 0.017 0.000 0.864 799 R HN 0.399 nan 8.270 nan 0.000 0.440 800 M N 0.591 120.125 119.600 -0.111 0.000 2.288 800 M HA -0.083 4.397 4.480 -0.001 0.000 0.266 800 M C 1.933 178.121 176.300 -0.186 0.000 1.072 800 M CA 1.012 56.230 55.300 -0.137 0.000 1.132 800 M CB 0.285 32.794 32.600 -0.152 0.000 1.386 800 M HN -0.096 nan 8.290 nan 0.000 0.432 801 V N 1.147 120.903 119.914 -0.263 0.000 2.392 801 V HA -0.309 3.810 4.120 -0.001 0.000 0.249 801 V C 2.130 178.126 176.094 -0.164 0.000 1.059 801 V CA 1.865 64.021 62.300 -0.240 0.000 1.051 801 V CB -0.816 30.861 31.823 -0.244 0.000 0.658 801 V HN 0.506 nan 8.190 nan 0.000 0.455 802 I N -1.101 119.382 120.570 -0.145 0.000 2.252 802 I HA -0.143 4.026 4.170 -0.001 0.000 0.245 802 I C 2.739 178.796 176.117 -0.100 0.000 1.102 802 I CA 1.090 62.293 61.300 -0.161 0.000 1.385 802 I CB -0.587 37.324 38.000 -0.148 0.000 1.064 802 I HN 0.121 nan 8.210 nan 0.000 0.414 803 R N 1.303 121.764 120.500 -0.065 0.000 2.127 803 R HA -0.138 4.202 4.340 -0.001 0.000 0.238 803 R C 1.945 178.226 176.300 -0.033 0.000 1.134 803 R CA 1.255 57.336 56.100 -0.032 0.000 0.975 803 R CB -0.871 29.414 30.300 -0.025 0.000 0.865 803 R HN 0.481 nan 8.270 nan 0.000 0.447 804 N N 0.528 119.187 118.700 -0.067 0.000 2.039 804 N HA -0.116 4.623 4.740 -0.001 0.000 0.193 804 N C 2.022 177.513 175.510 -0.032 0.000 1.044 804 N CA 1.411 54.423 53.050 -0.063 0.000 0.847 804 N CB -0.254 38.159 38.487 -0.123 0.000 1.030 804 N HN 0.218 nan 8.380 nan 0.000 0.422 805 I N 1.433 121.968 120.570 -0.059 0.000 2.226 805 I HA -0.221 3.949 4.170 -0.001 0.000 0.245 805 I C 2.360 178.467 176.117 -0.016 0.000 1.100 805 I CA 0.961 62.238 61.300 -0.038 0.000 1.374 805 I CB -0.400 37.547 38.000 -0.089 0.000 1.057 805 I HN 0.046 nan 8.210 nan 0.000 0.413 806 A N 0.202 123.008 122.820 -0.023 0.000 2.076 806 A HA -0.192 4.127 4.320 -0.001 0.000 0.220 806 A C 2.340 179.927 177.584 0.006 0.000 1.160 806 A CA 2.250 54.288 52.037 0.002 0.000 0.653 806 A CB -0.955 18.058 19.000 0.023 0.000 0.801 806 A HN 0.405 nan 8.150 nan 0.000 0.455 807 T N -0.122 114.435 114.554 0.005 0.000 2.904 807 T HA -0.068 4.281 4.350 -0.001 0.000 0.267 807 T C 2.132 176.806 174.700 -0.043 0.000 1.059 807 T CA 1.364 63.461 62.100 -0.004 0.000 1.137 807 T CB -0.241 68.650 68.868 0.038 0.000 0.879 807 T HN 0.544 nan 8.240 nan 0.000 0.467 808 S N 1.158 116.871 115.700 0.021 0.000 2.423 808 S HA -0.139 4.331 4.470 -0.001 0.000 0.238 808 S C 2.371 176.951 174.600 -0.034 0.000 1.028 808 S CA 1.047 59.290 58.200 0.071 0.000 1.000 808 S CB -0.896 62.380 63.200 0.125 0.000 0.797 808 S HN 0.669 nan 8.310 nan 0.000 0.487 809 G N 1.865 110.625 108.800 -0.067 0.000 2.505 809 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.220 809 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.220 809 G C 1.208 176.033 174.900 -0.124 0.000 1.145 809 G CA 1.171 46.237 45.100 -0.057 0.000 0.761 809 G HN 0.513 nan 8.290 nan 0.000 0.571 810 K N -0.329 119.871 120.400 -0.333 0.000 2.519 810 K HA -0.010 4.310 4.320 -0.001 0.000 0.196 810 K C 0.750 177.256 176.600 -0.157 0.000 1.041 810 K CA 0.335 56.433 56.287 -0.315 0.000 0.954 810 K CB -0.182 32.031 32.500 -0.477 0.000 0.774 810 K HN 0.324 nan 8.250 nan 0.000 0.480 811 F N 1.030 121.023 119.950 0.072 0.000 2.660 811 F HA 0.122 4.649 4.527 -0.001 0.000 0.297 811 F C 0.564 176.420 175.800 0.093 0.000 1.132 811 F CA -0.751 57.298 58.000 0.082 0.000 1.372 811 F CB -0.338 38.707 39.000 0.076 0.000 1.003 811 F HN -0.109 nan 8.300 nan 0.000 0.524 812 S N -1.427 114.410 115.700 0.228 0.000 2.541 812 S HA 0.263 4.733 4.470 -0.001 0.000 0.283 812 S C 1.228 175.947 174.600 0.199 0.000 1.196 812 S CA -0.286 58.024 58.200 0.183 0.000 1.062 812 S CB 1.663 64.925 63.200 0.103 0.000 1.009 812 S HN 0.161 nan 8.310 nan 0.000 0.502 813 S N 1.883 117.720 115.700 0.229 0.000 2.419 813 S HA -0.170 4.299 4.470 -0.001 0.000 0.235 813 S C 1.108 175.788 174.600 0.133 0.000 1.019 813 S CA 1.236 59.599 58.200 0.273 0.000 0.982 813 S CB -0.644 62.769 63.200 0.354 0.000 0.789 813 S HN 0.824 nan 8.310 nan 0.000 0.490 814 D N 1.535 121.993 120.400 0.096 0.000 2.116 814 D HA -0.157 4.482 4.640 -0.001 0.000 0.193 814 D C 2.122 178.449 176.300 0.045 0.000 0.998 814 D CA 1.032 55.062 54.000 0.051 0.000 0.836 814 D CB -0.263 40.556 40.800 0.031 0.000 0.951 814 D HN 0.289 nan 8.370 nan 0.000 0.449 815 R N 0.623 121.161 120.500 0.064 0.000 2.061 815 R HA -0.098 4.242 4.340 -0.001 0.000 0.230 815 R C 2.223 178.555 176.300 0.053 0.000 1.140 815 R CA 1.673 57.804 56.100 0.053 0.000 0.940 815 R CB -0.773 29.565 30.300 0.063 0.000 0.839 815 R HN 0.151 nan 8.270 nan 0.000 0.429 816 T N 2.085 116.702 114.554 0.104 0.000 2.759 816 T HA -0.130 4.220 4.350 -0.001 0.000 0.269 816 T C 1.919 176.663 174.700 0.074 0.000 1.042 816 T CA 1.298 63.472 62.100 0.125 0.000 1.140 816 T CB -0.130 68.911 68.868 0.288 0.000 0.864 816 T HN 0.121 nan 8.240 nan 0.000 0.455 817 I N 1.877 122.405 120.570 -0.069 0.000 2.315 817 I HA -0.018 4.151 4.170 -0.001 0.000 0.248 817 I C 2.947 179.069 176.117 0.008 0.000 1.117 817 I CA 0.724 61.962 61.300 -0.103 0.000 1.404 817 I CB -1.791 36.154 38.000 -0.092 0.000 1.071 817 I HN 0.217 nan 8.210 nan 0.000 0.419 818 A N 0.346 123.174 122.820 0.013 0.000 1.933 818 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 818 A C 2.252 179.822 177.584 -0.023 0.000 1.175 818 A CA 1.410 53.458 52.037 0.017 0.000 0.628 818 A CB -0.542 18.468 19.000 0.015 0.000 0.814 818 A HN 0.533 nan 8.150 nan 0.000 0.444 819 Q N -1.925 117.837 119.800 -0.063 0.000 2.137 819 Q HA -0.122 4.217 4.340 -0.001 0.000 0.198 819 Q C 1.799 177.642 176.000 -0.262 0.000 0.960 819 Q CA 1.374 57.092 55.803 -0.142 0.000 0.847 819 Q CB -0.248 28.388 28.738 -0.170 0.000 0.915 819 Q HN 0.828 nan 8.270 nan 0.000 0.448 820 Y N 0.599 120.625 120.300 -0.456 0.000 2.352 820 Y HA -0.149 4.400 4.550 -0.001 0.000 0.292 820 Y C 2.363 177.793 175.900 -0.784 0.000 1.136 820 Y CA 0.833 58.397 58.100 -0.894 0.000 1.227 820 Y CB -0.495 36.921 38.460 -1.740 0.000 0.991 820 Y HN 0.133 nan 8.280 nan 0.000 0.545 821 A N 0.600 123.338 122.820 -0.137 0.000 1.851 821 A HA -0.228 4.092 4.320 -0.001 0.000 0.216 821 A C 2.306 179.956 177.584 0.110 0.000 1.195 821 A CA 2.038 54.200 52.037 0.209 0.000 0.622 821 A CB -0.607 18.499 19.000 0.177 0.000 0.831 821 A HN 0.388 nan 8.150 nan 0.000 0.444 822 R N -0.703 119.803 120.500 0.009 0.000 2.061 822 R HA -0.093 4.246 4.340 -0.001 0.000 0.230 822 R C 2.214 178.493 176.300 -0.035 0.000 1.140 822 R CA 1.771 57.867 56.100 -0.007 0.000 0.940 822 R CB -0.343 29.942 30.300 -0.024 0.000 0.839 822 R HN 0.616 nan 8.270 nan 0.000 0.429 823 E N -0.146 119.998 120.200 -0.094 0.000 2.170 823 E HA -0.013 4.337 4.350 -0.001 0.000 0.191 823 E C 1.737 178.288 176.600 -0.081 0.000 0.981 823 E CA 0.837 57.182 56.400 -0.092 0.000 0.830 823 E CB 0.248 29.873 29.700 -0.126 0.000 0.775 823 E HN 0.318 nan 8.360 nan 0.000 0.470 824 I N -1.335 119.176 120.570 -0.099 0.000 2.962 824 I HA -0.013 4.157 4.170 -0.001 0.000 0.246 824 I C 1.672 177.899 176.117 0.184 0.000 1.091 824 I CA 0.038 61.338 61.300 0.000 0.000 1.469 824 I CB -0.208 37.733 38.000 -0.098 0.000 1.324 824 I HN 0.113 nan 8.210 nan 0.000 0.461 825 W N 1.660 123.024 121.300 0.107 0.000 2.381 825 W HA 0.119 4.779 4.660 -0.001 0.000 0.301 825 W C 1.518 178.068 176.519 0.051 0.000 1.205 825 W CA 1.515 58.919 57.345 0.099 0.000 1.285 825 W CB -1.168 28.342 29.460 0.083 0.000 1.133 825 W HN 0.366 nan 8.180 nan 0.000 0.521 826 G N 0.244 109.189 108.800 0.241 0.000 2.414 826 G HA2 0.004 3.963 3.960 -0.001 0.000 0.256 826 G HA3 0.004 3.963 3.960 -0.001 0.000 0.256 826 G C -0.656 174.308 174.900 0.106 0.000 1.128 826 G CA -0.079 45.095 45.100 0.124 0.000 0.944 826 G HN 0.636 nan 8.290 nan 0.000 0.500 827 V N -3.781 116.208 119.914 0.125 0.000 2.851 827 V HA 0.880 4.999 4.120 -0.001 0.000 0.307 827 V C -0.469 175.672 176.094 0.078 0.000 1.129 827 V CA -1.640 60.711 62.300 0.083 0.000 0.932 827 V CB 2.237 34.108 31.823 0.080 0.000 1.024 827 V HN 0.230 nan 8.190 nan 0.000 0.426 828 E N 3.835 124.061 120.200 0.043 0.000 2.227 828 E HA 0.593 4.943 4.350 -0.001 0.000 0.282 828 E C -2.294 174.329 176.600 0.039 0.000 1.015 828 E CA -1.898 54.525 56.400 0.039 0.000 0.823 828 E CB 1.631 31.347 29.700 0.026 0.000 1.081 828 E HN 0.706 nan 8.360 nan 0.000 0.396 829 P HA -0.077 nan 4.420 nan 0.000 0.276 829 P C -0.895 176.426 177.300 0.035 0.000 1.337 829 P CA 0.265 63.390 63.100 0.042 0.000 0.958 829 P CB 0.403 32.127 31.700 0.040 0.000 1.078 830 S N -1.790 113.932 115.700 0.037 0.000 2.605 830 S HA 0.218 4.687 4.470 -0.001 0.000 0.324 830 S C -0.338 174.287 174.600 0.042 0.000 0.978 830 S CA -0.576 57.648 58.200 0.040 0.000 0.864 830 S CB 0.232 63.462 63.200 0.049 0.000 1.095 830 S HN 0.336 nan 8.310 nan 0.000 0.460 831 R N 1.885 122.408 120.500 0.038 0.000 2.427 831 R HA 0.149 4.488 4.340 -0.001 0.000 0.262 831 R C 0.780 177.102 176.300 0.037 0.000 0.943 831 R CA -0.096 56.028 56.100 0.040 0.000 1.081 831 R CB 0.341 30.664 30.300 0.038 0.000 1.166 831 R HN 0.746 nan 8.270 nan 0.000 0.534 832 Q N 0.589 120.410 119.800 0.035 0.000 2.394 832 Q HA 0.169 4.508 4.340 -0.001 0.000 0.248 832 Q C -0.773 175.237 176.000 0.016 0.000 0.992 832 Q CA -0.325 55.492 55.803 0.024 0.000 0.888 832 Q CB 0.926 29.678 28.738 0.024 0.000 1.257 832 Q HN -0.197 nan 8.270 nan 0.000 0.462 833 R N 1.632 122.131 120.500 -0.002 0.000 2.349 833 R HA 0.360 4.700 4.340 -0.001 0.000 0.299 833 R C -0.776 175.501 176.300 -0.039 0.000 1.027 833 R CA -0.612 55.476 56.100 -0.019 0.000 0.958 833 R CB 0.721 31.004 30.300 -0.029 0.000 1.047 833 R HN 0.642 nan 8.270 nan 0.000 0.468 834 L N 5.593 126.783 121.223 -0.056 0.000 2.452 834 L HA 0.298 4.637 4.340 -0.001 0.000 0.267 834 L C -1.611 175.201 176.870 -0.097 0.000 1.188 834 L CA -1.142 53.631 54.840 -0.111 0.000 0.821 834 L CB 0.387 42.365 42.059 -0.136 0.000 1.102 834 L HN 0.611 nan 8.230 nan 0.000 0.470 835 P HA 0.238 nan 4.420 nan 0.000 0.317 835 P C -0.754 176.503 177.300 -0.071 0.000 1.316 835 P CA 0.322 63.374 63.100 -0.080 0.000 0.744 835 P CB 0.118 31.769 31.700 -0.080 0.000 1.521 836 A N -2.631 120.156 122.820 -0.054 0.000 3.938 836 A HA -0.075 4.244 4.320 -0.001 0.000 0.617 836 A C -2.397 175.170 177.584 -0.028 0.000 0.745 836 A CA -0.061 51.953 52.037 -0.038 0.000 0.311 836 A CB -3.289 15.684 19.000 -0.045 0.000 3.551 836 A HN 0.526 nan 8.150 nan 0.000 0.519 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.105 63.100 0.008 0.000 0.800 837 P CB 0.000 31.720 31.700 0.033 0.000 0.726