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 9gpb_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 YPXXXXXEGK 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 0.000 176.290 176.300 -0.017 0.000 0.893 10 R CA 0.000 56.090 56.100 -0.016 0.000 0.921 10 R CB 0.000 30.291 30.300 -0.015 0.000 0.687 11 K N 0.539 120.930 120.400 -0.015 0.000 2.410 11 K HA 0.326 4.645 4.320 -0.001 0.000 0.200 11 K C 0.647 177.238 176.600 -0.015 0.000 1.023 11 K CA 0.335 56.613 56.287 -0.015 0.000 1.149 11 K CB 0.360 32.853 32.500 -0.012 0.000 0.859 11 K HN 0.167 nan 8.250 nan 0.000 0.514 12 Q N 0.386 120.177 119.800 -0.016 0.000 2.280 12 Q HA 0.198 4.537 4.340 -0.001 0.000 0.201 12 Q C -0.460 175.529 176.000 -0.018 0.000 0.890 12 Q CA 0.121 55.915 55.803 -0.016 0.000 0.947 12 Q CB 0.405 29.134 28.738 -0.015 0.000 1.081 12 Q HN 0.370 nan 8.270 nan 0.000 0.502 13 I N 0.739 121.297 120.570 -0.021 0.000 2.377 13 I HA 0.251 4.420 4.170 -0.001 0.000 0.282 13 I C 0.106 176.208 176.117 -0.024 0.000 1.091 13 I CA -0.503 60.783 61.300 -0.024 0.000 1.207 13 I CB 0.467 38.450 38.000 -0.028 0.000 1.429 13 I HN -0.117 nan 8.210 nan 0.000 0.491 14 S N 4.438 120.126 115.700 -0.020 0.000 2.715 14 S HA 0.703 5.172 4.470 -0.001 0.000 0.307 14 S C -0.402 174.190 174.600 -0.014 0.000 1.119 14 S CA -0.666 57.524 58.200 -0.017 0.000 0.937 14 S CB 2.341 65.533 63.200 -0.012 0.000 1.150 14 S HN 0.221 nan 8.310 nan 0.000 0.521 15 V N 2.738 122.646 119.914 -0.010 0.000 2.320 15 V HA 0.508 4.627 4.120 -0.001 0.000 0.265 15 V C 0.848 176.944 176.094 0.004 0.000 1.048 15 V CA -0.305 61.994 62.300 -0.003 0.000 0.865 15 V CB -0.117 31.706 31.823 0.000 0.000 1.043 15 V HN 1.011 nan 8.190 nan 0.000 0.474 16 R N 4.585 125.089 120.500 0.006 0.000 2.081 16 R HA 0.373 4.712 4.340 -0.001 0.000 0.158 16 R C 1.755 178.067 176.300 0.019 0.000 1.886 16 R CA 1.025 57.130 56.100 0.009 0.000 1.479 16 R CB -0.370 29.932 30.300 0.004 0.000 1.254 16 R HN 0.556 nan 8.270 nan 0.000 0.475 17 G N 0.693 109.504 108.800 0.018 0.000 3.189 17 G HA2 0.156 4.115 3.960 -0.001 0.000 0.225 17 G HA3 0.156 4.115 3.960 -0.001 0.000 0.225 17 G C 0.215 175.138 174.900 0.040 0.000 1.159 17 G CA -0.227 44.889 45.100 0.025 0.000 0.763 17 G HN 0.174 nan 8.290 nan 0.000 0.549 18 L N 1.140 122.390 121.223 0.045 0.000 2.762 18 L HA 0.504 4.843 4.340 -0.001 0.000 0.250 18 L C 0.951 177.882 176.870 0.103 0.000 1.160 18 L CA 0.092 54.963 54.840 0.051 0.000 0.951 18 L CB -2.233 39.840 42.059 0.023 0.000 1.148 18 L HN 0.335 nan 8.230 nan 0.000 0.424 19 A N -1.878 121.039 122.820 0.161 0.000 2.586 19 A HA 0.498 4.818 4.320 -0.001 0.000 0.303 19 A C 0.493 178.207 177.584 0.216 0.000 0.915 19 A CA -0.124 52.082 52.037 0.281 0.000 0.626 19 A CB -0.658 18.714 19.000 0.620 0.000 1.331 19 A HN 0.089 nan 8.150 nan 0.000 0.424 20 G N -0.043 108.862 108.800 0.175 0.000 3.434 20 G HA2 0.548 4.507 3.960 -0.001 0.000 0.258 20 G HA3 0.548 4.507 3.960 -0.001 0.000 0.258 20 G C 0.959 175.854 174.900 -0.008 0.000 1.128 20 G CA 1.180 46.320 45.100 0.066 0.000 0.792 20 G HN 2.041 nan 8.290 nan 0.000 0.539 21 V N 0.642 120.487 119.914 -0.115 0.000 0.689 21 V HA -0.374 3.745 4.120 -0.001 0.000 0.092 21 V C 1.861 177.867 176.094 -0.146 0.000 0.795 21 V CA 2.050 64.175 62.300 -0.291 0.000 3.101 21 V CB -0.925 30.786 31.823 -0.187 0.000 0.198 21 V HN 0.372 nan 8.190 nan 0.000 0.107 22 E N 1.755 121.893 120.200 -0.104 0.000 2.482 22 E HA -0.117 4.233 4.350 -0.001 0.000 0.209 22 E C 0.448 177.030 176.600 -0.029 0.000 1.192 22 E CA 0.492 56.857 56.400 -0.059 0.000 0.948 22 E CB -1.110 28.561 29.700 -0.047 0.000 0.907 22 E HN 0.581 nan 8.360 nan 0.000 0.597 23 N N -0.010 118.679 118.700 -0.018 0.000 2.417 23 N HA 0.045 4.784 4.740 -0.001 0.000 0.274 23 N C 0.922 176.445 175.510 0.021 0.000 0.987 23 N CA -0.195 52.858 53.050 0.006 0.000 0.912 23 N CB 1.619 40.115 38.487 0.016 0.000 1.177 23 N HN -0.239 nan 8.380 nan 0.000 0.490 24 V N 3.082 123.005 119.914 0.015 0.000 2.490 24 V HA -0.171 3.948 4.120 -0.001 0.000 0.250 24 V C 1.817 177.925 176.094 0.023 0.000 1.061 24 V CA 1.839 64.149 62.300 0.018 0.000 1.064 24 V CB -0.307 31.521 31.823 0.009 0.000 0.670 24 V HN 0.703 nan 8.190 nan 0.000 0.461 25 T N -1.567 113.001 114.554 0.023 0.000 2.983 25 T HA -0.017 4.332 4.350 -0.001 0.000 0.250 25 T C 1.620 176.346 174.700 0.043 0.000 1.037 25 T CA 0.433 62.547 62.100 0.024 0.000 1.142 25 T CB -0.039 68.838 68.868 0.014 0.000 0.876 25 T HN 0.403 nan 8.240 nan 0.000 0.455 26 E N 0.957 121.189 120.200 0.053 0.000 2.494 26 E HA 0.018 4.367 4.350 -0.001 0.000 0.193 26 E C 1.177 177.849 176.600 0.120 0.000 1.074 26 E CA 0.240 56.684 56.400 0.074 0.000 0.867 26 E CB 0.070 29.812 29.700 0.071 0.000 0.924 26 E HN 0.428 nan 8.360 nan 0.000 0.502 27 L N -2.526 118.773 121.223 0.127 0.000 2.515 27 L HA 0.235 4.574 4.340 -0.001 0.000 0.223 27 L C 1.818 178.785 176.870 0.161 0.000 1.079 27 L CA 0.534 55.485 54.840 0.184 0.000 0.857 27 L CB -0.283 41.903 42.059 0.211 0.000 1.050 27 L HN -0.219 nan 8.230 nan 0.000 0.476 28 K N 0.953 121.412 120.400 0.098 0.000 2.283 28 K HA -0.123 4.196 4.320 -0.001 0.000 0.202 28 K C 1.978 178.641 176.600 0.106 0.000 1.048 28 K CA 0.764 57.095 56.287 0.073 0.000 0.948 28 K CB 0.076 32.585 32.500 0.016 0.000 0.742 28 K HN 0.313 nan 8.250 nan 0.000 0.458 29 K N 0.490 120.945 120.400 0.091 0.000 2.366 29 K HA -0.075 4.245 4.320 -0.001 0.000 0.198 29 K C 0.906 177.555 176.600 0.082 0.000 1.044 29 K CA 0.922 57.250 56.287 0.068 0.000 0.973 29 K CB 0.177 32.706 32.500 0.047 0.000 0.767 29 K HN 0.049 nan 8.250 nan 0.000 0.475 30 N N -0.509 118.278 118.700 0.146 0.000 2.409 30 N HA 0.005 4.745 4.740 -0.001 0.000 0.174 30 N C 1.028 176.720 175.510 0.304 0.000 1.037 30 N CA 0.171 53.321 53.050 0.167 0.000 0.898 30 N CB 0.017 38.630 38.487 0.209 0.000 1.010 30 N HN 0.094 nan 8.380 nan 0.000 0.445 31 F N 1.005 121.043 119.950 0.146 0.000 2.325 31 F HA 0.128 4.654 4.527 -0.001 0.000 0.299 31 F C 1.701 177.584 175.800 0.138 0.000 1.090 31 F CA 1.070 59.166 58.000 0.160 0.000 1.392 31 F CB -0.019 39.056 39.000 0.125 0.000 1.053 31 F HN 0.081 nan 8.300 nan 0.000 0.521 32 N N -0.092 118.794 118.700 0.310 0.000 2.173 32 N HA -0.125 4.614 4.740 -0.001 0.000 0.184 32 N C 1.950 177.469 175.510 0.016 0.000 1.025 32 N CA 0.352 53.509 53.050 0.177 0.000 0.852 32 N CB -0.125 38.393 38.487 0.050 0.000 0.998 32 N HN 0.131 nan 8.380 nan 0.000 0.427 33 R N 1.116 121.554 120.500 -0.104 0.000 2.113 33 R HA -0.158 4.181 4.340 -0.001 0.000 0.244 33 R C 1.738 177.862 176.300 -0.293 0.000 1.142 33 R CA 1.686 57.626 56.100 -0.268 0.000 0.953 33 R CB -0.943 29.185 30.300 -0.287 0.000 0.860 33 R HN 0.521 nan 8.270 nan 0.000 0.438 34 H N -0.660 118.330 119.070 -0.132 0.000 2.403 34 H HA -0.025 4.530 4.556 -0.001 0.000 0.298 34 H C 1.777 176.944 175.328 -0.269 0.000 1.059 34 H CA 0.848 56.760 56.048 -0.227 0.000 1.363 34 H CB -0.103 29.488 29.762 -0.286 0.000 1.410 34 H HN 0.027 nan 8.280 nan 0.000 0.528 35 L N 0.336 121.455 121.223 -0.172 0.000 2.127 35 L HA -0.200 4.139 4.340 -0.001 0.000 0.211 35 L C 1.374 177.968 176.870 -0.460 0.000 1.089 35 L CA 1.808 56.453 54.840 -0.326 0.000 0.757 35 L CB -0.217 41.630 42.059 -0.354 0.000 0.899 35 L HN 0.284 nan 8.230 nan 0.000 0.434 36 H N -2.237 116.647 119.070 -0.309 0.000 2.312 36 H HA 0.098 4.653 4.556 -0.001 0.000 0.327 36 H C 1.677 176.856 175.328 -0.249 0.000 1.111 36 H CA 1.673 57.502 56.048 -0.364 0.000 1.578 36 H CB -0.751 28.596 29.762 -0.692 0.000 1.494 36 H HN 0.068 nan 8.280 nan 0.000 0.583 37 F N 0.838 120.801 119.950 0.022 0.000 2.307 37 F HA -0.137 4.389 4.527 -0.001 0.000 0.301 37 F C 2.172 177.911 175.800 -0.101 0.000 1.076 37 F CA 1.267 59.235 58.000 -0.054 0.000 1.383 37 F CB -1.171 37.781 39.000 -0.080 0.000 1.055 37 F HN 0.203 nan 8.300 nan 0.000 0.526 38 T N -0.950 113.591 114.554 -0.022 0.000 2.980 38 T HA 0.052 4.401 4.350 -0.001 0.000 0.239 38 T C 1.818 176.435 174.700 -0.139 0.000 1.011 38 T CA 0.326 62.354 62.100 -0.121 0.000 1.171 38 T CB -0.523 68.147 68.868 -0.329 0.000 0.873 38 T HN 0.042 nan 8.240 nan 0.000 0.431 39 L N 1.730 122.852 121.223 -0.168 0.000 2.509 39 L HA 0.250 4.589 4.340 -0.001 0.000 0.222 39 L C 0.184 176.973 176.870 -0.136 0.000 1.123 39 L CA 0.427 55.169 54.840 -0.162 0.000 0.856 39 L CB -0.425 41.523 42.059 -0.185 0.000 0.985 39 L HN 0.079 nan 8.230 nan 0.000 0.456 40 V N 0.224 120.067 119.914 -0.119 0.000 5.827 40 V HA -0.312 3.807 4.120 -0.001 0.000 0.194 40 V C 0.308 176.326 176.094 -0.127 0.000 0.697 40 V CA 0.847 63.093 62.300 -0.091 0.000 0.531 40 V CB -2.132 29.667 31.823 -0.040 0.000 0.266 40 V HN 0.359 nan 8.190 nan 0.000 0.447 41 K N 1.307 121.579 120.400 -0.214 0.000 2.509 41 K HA 0.739 5.059 4.320 -0.001 0.000 0.266 41 K C -0.649 175.736 176.600 -0.359 0.000 0.987 41 K CA -0.475 55.670 56.287 -0.236 0.000 0.868 41 K CB 2.978 35.327 32.500 -0.252 0.000 1.421 41 K HN 0.599 nan 8.250 nan 0.000 0.444 42 D N -1.169 119.085 120.400 -0.244 0.000 2.559 42 D HA 0.287 4.927 4.640 -0.001 0.000 0.250 42 D C 0.384 176.654 176.300 -0.051 0.000 1.135 42 D CA -0.675 53.217 54.000 -0.178 0.000 0.955 42 D CB 0.744 41.523 40.800 -0.036 0.000 1.442 42 D HN 0.304 nan 8.370 nan 0.000 0.471 43 R N 0.245 120.789 120.500 0.074 0.000 2.241 43 R HA 0.064 4.404 4.340 -0.001 0.000 0.224 43 R C 1.016 177.383 176.300 0.112 0.000 1.101 43 R CA 1.135 57.334 56.100 0.164 0.000 0.995 43 R CB -0.976 29.426 30.300 0.169 0.000 0.870 43 R HN 0.440 nan 8.270 nan 0.000 0.463 44 N N 0.018 118.753 118.700 0.058 0.000 2.392 44 N HA 0.014 4.753 4.740 -0.001 0.000 0.177 44 N C 0.702 176.225 175.510 0.022 0.000 1.066 44 N CA 0.881 53.957 53.050 0.043 0.000 0.895 44 N CB 0.533 39.037 38.487 0.029 0.000 0.988 44 N HN 0.111 nan 8.380 nan 0.000 0.457 45 V N 0.415 120.324 119.914 -0.007 0.000 3.612 45 V HA 0.266 4.385 4.120 -0.001 0.000 0.268 45 V C 0.804 176.846 176.094 -0.087 0.000 1.365 45 V CA -0.081 62.197 62.300 -0.037 0.000 1.044 45 V CB 0.408 32.205 31.823 -0.043 0.000 0.820 45 V HN 0.138 nan 8.190 nan 0.000 0.444 46 A N 0.382 123.116 122.820 -0.144 0.000 2.401 46 A HA 0.528 4.847 4.320 -0.001 0.000 0.259 46 A C 0.323 177.691 177.584 -0.360 0.000 1.103 46 A CA 0.460 52.291 52.037 -0.344 0.000 0.789 46 A CB 0.328 18.939 19.000 -0.647 0.000 1.035 46 A HN 0.219 nan 8.150 nan 0.000 0.491 47 T N 2.908 117.249 114.554 -0.356 0.000 2.927 47 T HA 0.475 4.824 4.350 -0.001 0.000 0.281 47 T C -1.353 173.237 174.700 -0.183 0.000 0.998 47 T CA -1.541 60.443 62.100 -0.194 0.000 1.019 47 T CB 1.022 69.808 68.868 -0.137 0.000 1.061 47 T HN 0.522 nan 8.240 nan 0.000 0.518 48 P HA -0.264 nan 4.420 nan 0.000 0.216 48 P C 1.345 178.682 177.300 0.061 0.000 1.167 48 P CA 1.597 64.788 63.100 0.153 0.000 0.933 48 P CB 0.001 31.762 31.700 0.102 0.000 0.793 49 R N -0.147 120.320 120.500 -0.055 0.000 2.261 49 R HA -0.152 4.188 4.340 -0.001 0.000 0.236 49 R C 1.747 177.929 176.300 -0.197 0.000 1.141 49 R CA 1.742 57.740 56.100 -0.171 0.000 1.001 49 R CB -0.627 29.523 30.300 -0.249 0.000 0.866 49 R HN 0.129 nan 8.270 nan 0.000 0.468 50 D N -0.531 119.771 120.400 -0.164 0.000 2.162 50 D HA -0.091 4.548 4.640 -0.001 0.000 0.205 50 D C 1.361 177.535 176.300 -0.210 0.000 0.964 50 D CA 1.084 54.982 54.000 -0.170 0.000 0.847 50 D CB -0.122 40.459 40.800 -0.364 0.000 0.988 50 D HN 0.304 nan 8.370 nan 0.000 0.480 51 Y N -0.068 120.229 120.300 -0.005 0.000 2.373 51 Y HA -0.138 4.411 4.550 -0.001 0.000 0.293 51 Y C 2.170 178.102 175.900 0.053 0.000 1.129 51 Y CA 0.290 58.394 58.100 0.006 0.000 1.226 51 Y CB -0.694 37.921 38.460 0.258 0.000 1.000 51 Y HN 0.065 nan 8.280 nan 0.000 0.549 52 Y N -0.450 119.922 120.300 0.120 0.000 2.163 52 Y HA -0.235 4.314 4.550 -0.001 0.000 0.288 52 Y C 1.795 177.717 175.900 0.038 0.000 1.136 52 Y CA 1.070 59.203 58.100 0.055 0.000 1.147 52 Y CB -1.044 37.359 38.460 -0.095 0.000 0.987 52 Y HN 0.010 nan 8.280 nan 0.000 0.509 53 F N 0.591 120.217 119.950 -0.540 0.000 2.202 53 F HA -0.114 4.412 4.527 -0.001 0.000 0.301 53 F C 2.623 178.215 175.800 -0.347 0.000 1.082 53 F CA 0.967 58.623 58.000 -0.575 0.000 1.313 53 F CB -1.330 37.517 39.000 -0.255 0.000 1.024 53 F HN 0.238 nan 8.300 nan 0.000 0.495 54 A N -0.386 122.358 122.820 -0.127 0.000 1.897 54 A HA -0.110 4.209 4.320 -0.001 0.000 0.215 54 A C 2.134 179.609 177.584 -0.182 0.000 1.181 54 A CA 1.279 53.163 52.037 -0.256 0.000 0.620 54 A CB -1.010 17.587 19.000 -0.672 0.000 0.821 54 A HN 0.305 nan 8.150 nan 0.000 0.443 55 L N -0.202 121.004 121.223 -0.028 0.000 2.093 55 L HA 0.013 4.352 4.340 -0.001 0.000 0.208 55 L C 2.592 179.502 176.870 0.067 0.000 1.085 55 L CA 1.980 56.950 54.840 0.217 0.000 0.755 55 L CB -0.794 41.483 42.059 0.364 0.000 0.904 55 L HN 0.333 nan 8.230 nan 0.000 0.435 56 A N -1.215 121.495 122.820 -0.185 0.000 1.902 56 A HA -0.275 4.045 4.320 -0.001 0.000 0.217 56 A C 2.136 179.391 177.584 -0.549 0.000 1.181 56 A CA 1.977 53.798 52.037 -0.359 0.000 0.623 56 A CB -1.042 17.466 19.000 -0.819 0.000 0.818 56 A HN 0.665 nan 8.150 nan 0.000 0.443 57 H N -0.918 117.849 119.070 -0.506 0.000 2.423 57 H HA -0.047 4.509 4.556 -0.001 0.000 0.297 57 H C 2.311 177.311 175.328 -0.547 0.000 1.075 57 H CA 1.902 57.570 56.048 -0.634 0.000 1.342 57 H CB -0.005 29.219 29.762 -0.897 0.000 1.395 57 H HN 0.477 nan 8.280 nan 0.000 0.530 58 T N -0.310 114.147 114.554 -0.161 0.000 2.737 58 T HA -0.113 4.237 4.350 -0.001 0.000 0.265 58 T C 2.194 176.971 174.700 0.128 0.000 1.038 58 T CA 1.399 63.531 62.100 0.055 0.000 1.144 58 T CB -0.333 68.672 68.868 0.228 0.000 0.866 58 T HN 0.119 nan 8.240 nan 0.000 0.434 59 V N 1.285 121.320 119.914 0.201 0.000 2.626 59 V HA -0.049 4.070 4.120 -0.001 0.000 0.252 59 V C 2.499 178.772 176.094 0.297 0.000 1.067 59 V CA 1.207 63.682 62.300 0.293 0.000 1.081 59 V CB -0.700 31.325 31.823 0.337 0.000 0.686 59 V HN 0.318 nan 8.190 nan 0.000 0.468 60 R N 0.174 120.804 120.500 0.217 0.000 2.115 60 R HA -0.157 4.182 4.340 -0.001 0.000 0.230 60 R C 1.944 178.326 176.300 0.137 0.000 1.111 60 R CA 1.650 57.871 56.100 0.202 0.000 0.976 60 R CB -0.193 30.073 30.300 -0.056 0.000 0.870 60 R HN 0.497 nan 8.270 nan 0.000 0.445 61 D N -0.947 119.475 120.400 0.037 0.000 2.183 61 D HA -0.096 4.543 4.640 -0.001 0.000 0.203 61 D C 0.996 177.301 176.300 0.009 0.000 0.969 61 D CA 1.186 55.185 54.000 -0.001 0.000 0.842 61 D CB -0.130 40.627 40.800 -0.072 0.000 0.957 61 D HN 0.424 nan 8.370 nan 0.000 0.484 62 H N -0.579 118.575 119.070 0.141 0.000 2.543 62 H HA 0.186 4.741 4.556 -0.001 0.000 0.269 62 H C 1.636 177.038 175.328 0.123 0.000 1.005 62 H CA -0.173 55.947 56.048 0.120 0.000 1.146 62 H CB 0.672 30.500 29.762 0.111 0.000 1.353 62 H HN 0.082 nan 8.280 nan 0.000 0.595 63 L N -0.330 121.042 121.223 0.249 0.000 2.590 63 L HA -0.018 4.321 4.340 -0.001 0.000 0.181 63 L C 2.118 179.150 176.870 0.270 0.000 1.134 63 L CA 0.440 55.415 54.840 0.226 0.000 0.850 63 L CB -0.045 42.157 42.059 0.238 0.000 1.172 63 L HN 0.226 nan 8.230 nan 0.000 0.498 64 V N -2.139 117.969 119.914 0.324 0.000 3.140 64 V HA -0.058 4.061 4.120 -0.001 0.000 0.269 64 V C 1.977 178.179 176.094 0.181 0.000 1.149 64 V CA 1.519 64.029 62.300 0.350 0.000 1.162 64 V CB -1.779 30.171 31.823 0.211 0.000 0.756 64 V HN 0.477 nan 8.190 nan 0.000 0.523 65 G N 1.117 110.013 108.800 0.159 0.000 2.434 65 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.214 65 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.214 65 G C 1.714 176.683 174.900 0.116 0.000 1.202 65 G CA 0.777 45.944 45.100 0.113 0.000 0.788 65 G HN 0.509 nan 8.290 nan 0.000 0.539 66 R N -1.095 119.492 120.500 0.145 0.000 2.083 66 R HA -0.140 4.199 4.340 -0.001 0.000 0.237 66 R C 2.282 178.693 176.300 0.184 0.000 1.137 66 R CA 1.397 57.573 56.100 0.127 0.000 0.951 66 R CB -0.616 29.748 30.300 0.107 0.000 0.851 66 R HN 0.476 nan 8.270 nan 0.000 0.434 67 W N 2.294 123.599 121.300 0.010 0.000 2.331 67 W HA -0.172 4.488 4.660 -0.001 0.000 0.291 67 W C 1.574 178.092 176.519 -0.002 0.000 1.214 67 W CA 1.075 58.421 57.345 0.002 0.000 1.228 67 W CB -0.167 29.304 29.460 0.017 0.000 1.135 67 W HN 0.020 nan 8.180 nan 0.000 0.537 68 I N 0.276 120.900 120.570 0.091 0.000 2.233 68 I HA -0.200 3.969 4.170 -0.001 0.000 0.243 68 I C 2.267 178.396 176.117 0.021 0.000 1.093 68 I CA 1.368 62.651 61.300 -0.028 0.000 1.380 68 I CB -1.629 36.342 38.000 -0.049 0.000 1.067 68 I HN -0.125 nan 8.210 nan 0.000 0.413 69 R N 0.656 121.178 120.500 0.035 0.000 2.115 69 R HA -0.022 4.317 4.340 -0.001 0.000 0.226 69 R C 2.377 178.677 176.300 0.001 0.000 1.100 69 R CA 1.158 57.264 56.100 0.010 0.000 0.980 69 R CB -1.107 29.190 30.300 -0.005 0.000 0.875 69 R HN 0.267 nan 8.270 nan 0.000 0.445 70 T N 0.494 115.051 114.554 0.006 0.000 2.652 70 T HA -0.183 4.166 4.350 -0.001 0.000 0.267 70 T C 1.597 176.144 174.700 -0.256 0.000 1.039 70 T CA 1.481 63.510 62.100 -0.119 0.000 1.153 70 T CB -0.198 68.636 68.868 -0.058 0.000 0.863 70 T HN 0.103 nan 8.240 nan 0.000 0.428 71 Q N 0.907 120.706 119.800 -0.002 0.000 2.170 71 Q HA -0.027 4.312 4.340 -0.001 0.000 0.203 71 Q C 2.365 178.410 176.000 0.075 0.000 0.976 71 Q CA 1.459 57.316 55.803 0.091 0.000 0.858 71 Q CB -0.319 28.534 28.738 0.191 0.000 0.907 71 Q HN 0.593 nan 8.270 nan 0.000 0.433 72 Q N -1.221 118.607 119.800 0.046 0.000 2.020 72 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 72 Q C 1.968 178.046 176.000 0.131 0.000 0.982 72 Q CA 1.535 57.384 55.803 0.077 0.000 0.838 72 Q CB -0.334 28.427 28.738 0.038 0.000 0.899 72 Q HN 0.652 nan 8.270 nan 0.000 0.423 73 H N -0.664 118.353 119.070 -0.089 0.000 2.252 73 H HA -0.228 4.327 4.556 -0.001 0.000 0.292 73 H C 1.613 176.936 175.328 -0.008 0.000 1.082 73 H CA 1.772 57.753 56.048 -0.112 0.000 1.229 73 H CB -0.005 29.588 29.762 -0.281 0.000 1.353 73 H HN 0.278 nan 8.280 nan 0.000 0.488 74 Y N -0.719 119.638 120.300 0.095 0.000 2.569 74 Y HA -0.201 4.348 4.550 -0.001 0.000 0.293 74 Y C 2.253 178.217 175.900 0.106 0.000 1.144 74 Y CA 0.763 58.876 58.100 0.020 0.000 1.321 74 Y CB -1.034 37.440 38.460 0.023 0.000 0.982 74 Y HN 0.428 nan 8.280 nan 0.000 0.558 75 Y N 1.020 121.428 120.300 0.180 0.000 2.184 75 Y HA -0.111 4.439 4.550 -0.001 0.000 0.290 75 Y C 1.989 177.957 175.900 0.114 0.000 1.129 75 Y CA 1.568 59.748 58.100 0.133 0.000 1.144 75 Y CB -0.170 38.344 38.460 0.090 0.000 0.995 75 Y HN -0.021 nan 8.280 nan 0.000 0.513 76 E N 0.611 120.906 120.200 0.159 0.000 2.007 76 E HA -0.183 4.166 4.350 -0.001 0.000 0.194 76 E C 2.123 178.727 176.600 0.007 0.000 0.999 76 E CA 1.718 58.155 56.400 0.062 0.000 0.811 76 E CB -0.373 29.416 29.700 0.147 0.000 0.762 76 E HN 0.175 nan 8.360 nan 0.000 0.450 77 K N 0.805 121.268 120.400 0.105 0.000 2.362 77 K HA -0.115 4.204 4.320 -0.001 0.000 0.200 77 K C -0.353 176.276 176.600 0.048 0.000 1.046 77 K CA 0.734 57.079 56.287 0.097 0.000 0.952 77 K CB -0.186 32.412 32.500 0.163 0.000 0.753 77 K HN 0.048 nan 8.250 nan 0.000 0.466 78 D N 0.970 121.392 120.400 0.037 0.000 2.886 78 D HA -0.147 4.493 4.640 -0.001 0.000 0.221 78 D C -2.125 174.182 176.300 0.011 0.000 1.227 78 D CA 0.413 54.427 54.000 0.023 0.000 0.746 78 D CB -0.163 40.630 40.800 -0.012 0.000 0.935 78 D HN 0.311 nan 8.370 nan 0.000 0.399 79 P HA 0.025 nan 4.420 nan 0.000 0.274 79 P C 0.052 177.285 177.300 -0.113 0.000 1.260 79 P CA -0.427 62.615 63.100 -0.096 0.000 0.793 79 P CB 0.601 32.170 31.700 -0.217 0.000 1.048 80 K N 1.333 121.659 120.400 -0.124 0.000 2.349 80 K HA 0.097 4.416 4.320 -0.001 0.000 0.288 80 K C 0.152 176.603 176.600 -0.247 0.000 1.058 80 K CA -0.162 56.040 56.287 -0.143 0.000 0.953 80 K CB 0.268 32.708 32.500 -0.100 0.000 0.997 80 K HN 0.327 nan 8.250 nan 0.000 0.477 81 R N 4.428 124.758 120.500 -0.282 0.000 2.254 81 R HA 0.291 4.630 4.340 -0.001 0.000 0.318 81 R C -0.104 175.840 176.300 -0.593 0.000 1.031 81 R CA -0.514 55.327 56.100 -0.432 0.000 0.905 81 R CB 0.956 31.020 30.300 -0.393 0.000 1.050 81 R HN 0.559 nan 8.270 nan 0.000 0.456 82 I N 4.673 124.882 120.570 -0.601 0.000 2.437 82 I HA 0.242 4.411 4.170 -0.001 0.000 0.279 82 I C -1.304 174.548 176.117 -0.443 0.000 1.028 82 I CA -0.770 60.185 61.300 -0.576 0.000 1.142 82 I CB 0.544 38.066 38.000 -0.797 0.000 1.266 82 I HN 0.568 nan 8.210 nan 0.000 0.461 83 Y N 7.210 127.490 120.300 -0.033 0.000 2.336 83 Y HA 0.245 4.794 4.550 -0.001 0.000 0.335 83 Y C -0.408 175.624 175.900 0.220 0.000 1.046 83 Y CA -0.294 57.905 58.100 0.165 0.000 1.198 83 Y CB 0.618 39.139 38.460 0.101 0.000 1.182 83 Y HN 0.469 nan 8.280 nan 0.000 0.502 84 Y N 4.368 124.843 120.300 0.291 0.000 2.353 84 Y HA 0.444 4.994 4.550 -0.001 0.000 0.340 84 Y C -0.989 175.135 175.900 0.374 0.000 0.972 84 Y CA -1.606 56.656 58.100 0.270 0.000 1.157 84 Y CB 0.604 39.224 38.460 0.266 0.000 1.157 84 Y HN 0.624 nan 8.280 nan 0.000 0.495 85 L N 5.325 126.607 121.223 0.098 0.000 2.265 85 L HA 0.524 4.863 4.340 -0.001 0.000 0.288 85 L C -0.352 176.476 176.870 -0.070 0.000 1.058 85 L CA -0.122 54.781 54.840 0.105 0.000 0.809 85 L CB 0.885 42.988 42.059 0.072 0.000 1.179 85 L HN 0.670 nan 8.230 nan 0.000 0.429 86 S N 3.371 119.077 115.700 0.010 0.000 2.543 86 S HA 0.403 4.872 4.470 -0.001 0.000 0.273 86 S C -0.233 174.339 174.600 -0.047 0.000 1.152 86 S CA -0.608 57.466 58.200 -0.211 0.000 0.910 86 S CB 1.307 64.096 63.200 -0.685 0.000 1.105 86 S HN 0.527 nan 8.310 nan 0.000 0.465 87 L N 3.170 124.442 121.223 0.082 0.000 2.688 87 L HA 0.513 4.852 4.340 -0.001 0.000 0.234 87 L C 0.488 177.472 176.870 0.191 0.000 1.192 87 L CA 0.524 55.491 54.840 0.212 0.000 0.984 87 L CB -0.091 42.146 42.059 0.296 0.000 1.232 87 L HN 0.635 nan 8.230 nan 0.000 0.465 88 E N -0.448 119.729 120.200 -0.038 0.000 2.347 88 E HA 0.298 4.647 4.350 -0.001 0.000 0.285 88 E C -1.596 174.831 176.600 -0.287 0.000 0.925 88 E CA -0.467 55.916 56.400 -0.029 0.000 0.779 88 E CB 1.429 31.096 29.700 -0.056 0.000 1.233 88 E HN -0.123 nan 8.360 nan 0.000 0.414 89 F N 3.688 123.708 119.950 0.116 0.000 2.931 89 F HA 0.192 4.718 4.527 -0.001 0.000 0.375 89 F C -0.801 175.096 175.800 0.161 0.000 1.243 89 F CA -0.546 57.528 58.000 0.124 0.000 1.206 89 F CB 0.735 39.793 39.000 0.096 0.000 1.643 89 F HN 0.486 nan 8.300 nan 0.000 0.593 90 Y N 3.549 123.944 120.300 0.158 0.000 2.724 90 Y HA 0.208 4.757 4.550 -0.001 0.000 0.354 90 Y C 1.020 176.952 175.900 0.054 0.000 1.270 90 Y CA -0.465 57.682 58.100 0.078 0.000 1.902 90 Y CB -0.168 38.324 38.460 0.053 0.000 1.981 90 Y HN 0.576 nan 8.280 nan 0.000 0.428 91 M N 0.886 120.575 119.600 0.148 0.000 2.153 91 M HA 0.115 4.594 4.480 -0.001 0.000 0.257 91 M C 2.109 178.339 176.300 -0.116 0.000 1.107 91 M CA 2.414 57.710 55.300 -0.006 0.000 1.109 91 M CB -0.605 31.964 32.600 -0.051 0.000 1.240 91 M HN 0.534 nan 8.290 nan 0.000 0.436 92 G N -0.217 108.487 108.800 -0.160 0.000 2.179 92 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.220 92 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.220 92 G C 0.120 174.909 174.900 -0.185 0.000 0.990 92 G CA 0.042 45.027 45.100 -0.192 0.000 0.646 92 G HN 0.416 nan 8.290 nan 0.000 0.517 93 R N -1.276 119.109 120.500 -0.191 0.000 4.963 93 R HA 0.152 4.491 4.340 -0.001 0.000 0.301 93 R C 0.571 176.721 176.300 -0.251 0.000 0.836 93 R CA 0.308 56.301 56.100 -0.177 0.000 1.344 93 R CB -0.532 29.666 30.300 -0.171 0.000 1.336 93 R HN 0.146 nan 8.270 nan 0.000 0.587 94 T N 2.477 116.822 114.554 -0.348 0.000 2.953 94 T HA 0.059 4.409 4.350 -0.001 0.000 0.247 94 T C 1.812 176.161 174.700 -0.585 0.000 1.029 94 T CA 0.339 62.059 62.100 -0.633 0.000 1.144 94 T CB 0.081 68.186 68.868 -1.271 0.000 0.870 94 T HN 0.375 nan 8.240 nan 0.000 0.446 95 L N 1.226 122.232 121.223 -0.363 0.000 2.017 95 L HA -0.365 3.974 4.340 -0.001 0.000 0.234 95 L C 2.727 179.554 176.870 -0.072 0.000 1.097 95 L CA 2.134 56.950 54.840 -0.040 0.000 0.816 95 L CB -0.523 41.724 42.059 0.314 0.000 0.914 95 L HN 0.386 nan 8.230 nan 0.000 0.444 96 Q N -0.754 119.003 119.800 -0.072 0.000 2.181 96 Q HA -0.247 4.092 4.340 -0.001 0.000 0.205 96 Q C 1.842 177.779 176.000 -0.106 0.000 0.980 96 Q CA 1.731 57.492 55.803 -0.071 0.000 0.862 96 Q CB -0.072 28.612 28.738 -0.090 0.000 0.905 96 Q HN 0.536 nan 8.270 nan 0.000 0.429 97 N N -0.942 117.657 118.700 -0.168 0.000 2.467 97 N HA -0.060 4.680 4.740 -0.001 0.000 0.184 97 N C 0.822 176.241 175.510 -0.150 0.000 1.106 97 N CA 1.041 53.989 53.050 -0.170 0.000 0.892 97 N CB 0.353 38.703 38.487 -0.227 0.000 0.969 97 N HN 0.222 nan 8.380 nan 0.000 0.454 98 T N 0.325 114.775 114.554 -0.174 0.000 2.852 98 T HA 0.041 4.390 4.350 -0.001 0.000 0.256 98 T C 2.157 176.839 174.700 -0.030 0.000 1.038 98 T CA 0.432 62.459 62.100 -0.121 0.000 1.141 98 T CB -0.041 68.740 68.868 -0.145 0.000 0.869 98 T HN 0.111 nan 8.240 nan 0.000 0.439 99 M N 1.805 121.398 119.600 -0.012 0.000 2.073 99 M HA -0.143 4.336 4.480 -0.001 0.000 0.258 99 M C 2.725 179.025 176.300 0.000 0.000 1.070 99 M CA 1.890 57.200 55.300 0.016 0.000 1.103 99 M CB -1.058 31.558 32.600 0.025 0.000 1.321 99 M HN 0.334 nan 8.290 nan 0.000 0.405 100 V N -1.505 118.407 119.914 -0.002 0.000 2.323 100 V HA -0.143 3.976 4.120 -0.001 0.000 0.244 100 V C 1.513 177.632 176.094 0.042 0.000 1.041 100 V CA 2.096 64.415 62.300 0.031 0.000 1.025 100 V CB -1.264 30.597 31.823 0.063 0.000 0.656 100 V HN 0.358 nan 8.190 nan 0.000 0.451 101 N N 0.207 118.943 118.700 0.060 0.000 2.571 101 N HA 0.058 4.798 4.740 -0.001 0.000 0.189 101 N C 1.116 176.573 175.510 -0.088 0.000 1.154 101 N CA 0.787 53.869 53.050 0.053 0.000 0.907 101 N CB 0.075 38.635 38.487 0.121 0.000 0.977 101 N HN 0.408 nan 8.380 nan 0.000 0.449 102 L N -1.466 119.720 121.223 -0.061 0.000 2.537 102 L HA 0.437 4.776 4.340 -0.001 0.000 0.224 102 L C 1.191 178.014 176.870 -0.077 0.000 1.065 102 L CA 0.481 55.286 54.840 -0.059 0.000 0.860 102 L CB -0.072 41.986 42.059 -0.002 0.000 1.086 102 L HN 0.114 nan 8.230 nan 0.000 0.482 103 A N -1.638 121.142 122.820 -0.067 0.000 3.447 103 A HA -0.146 4.173 4.320 -0.001 0.000 0.209 103 A C 0.927 178.493 177.584 -0.030 0.000 0.759 103 A CA 0.625 52.626 52.037 -0.060 0.000 2.053 103 A CB -1.728 17.229 19.000 -0.073 0.000 0.714 103 A HN 0.056 nan 8.150 nan 0.000 0.635 104 L N 2.010 123.223 121.223 -0.017 0.000 2.784 104 L HA 0.035 4.374 4.340 -0.001 0.000 0.247 104 L C 1.730 178.612 176.870 0.019 0.000 1.162 104 L CA 1.959 56.800 54.840 0.001 0.000 0.881 104 L CB -1.941 40.132 42.059 0.024 0.000 1.032 104 L HN 0.750 nan 8.230 nan 0.000 0.446 105 E N 1.632 121.840 120.200 0.012 0.000 1.997 105 E HA -0.261 4.088 4.350 -0.001 0.000 0.201 105 E C 1.631 178.238 176.600 0.011 0.000 1.011 105 E CA 1.738 58.148 56.400 0.016 0.000 0.847 105 E CB -0.001 29.702 29.700 0.004 0.000 0.787 105 E HN 0.770 nan 8.360 nan 0.000 0.472 106 N N -0.260 118.438 118.700 -0.002 0.000 2.573 106 N HA -0.063 4.676 4.740 -0.001 0.000 0.187 106 N C 1.424 176.931 175.510 -0.005 0.000 1.107 106 N CA 0.662 53.706 53.050 -0.009 0.000 0.918 106 N CB 0.037 38.513 38.487 -0.019 0.000 0.966 106 N HN 0.094 nan 8.380 nan 0.000 0.448 107 A N -0.292 122.528 122.820 0.001 0.000 2.208 107 A HA 0.120 4.439 4.320 -0.001 0.000 0.209 107 A C 1.892 179.489 177.584 0.021 0.000 1.161 107 A CA 0.106 52.145 52.037 0.004 0.000 0.782 107 A CB -0.303 18.694 19.000 -0.005 0.000 0.816 107 A HN 0.562 nan 8.150 nan 0.000 0.477 108 C N -1.454 117.865 119.300 0.032 0.000 2.674 108 C HA 0.088 4.548 4.460 -0.001 0.000 0.276 108 C C 2.173 177.181 174.990 0.030 0.000 1.300 108 C CA 0.592 59.641 59.018 0.052 0.000 1.732 108 C CB -0.329 27.462 27.740 0.086 0.000 2.076 108 C HN 0.731 nan 8.230 nan 0.000 0.548 109 D N 1.235 121.644 120.400 0.016 0.000 2.103 109 D HA -0.121 4.519 4.640 -0.001 0.000 0.199 109 D C 2.079 178.384 176.300 0.009 0.000 0.978 109 D CA 1.276 55.277 54.000 0.002 0.000 0.829 109 D CB -0.134 40.653 40.800 -0.022 0.000 0.981 109 D HN 0.501 nan 8.370 nan 0.000 0.464 110 E N -0.190 120.015 120.200 0.008 0.000 2.012 110 E HA -0.214 4.135 4.350 -0.001 0.000 0.197 110 E C 2.087 178.703 176.600 0.026 0.000 1.007 110 E CA 1.146 57.564 56.400 0.030 0.000 0.816 110 E CB -0.248 29.462 29.700 0.017 0.000 0.762 110 E HN 0.276 nan 8.360 nan 0.000 0.451 111 A N 0.418 123.234 122.820 -0.007 0.000 1.915 111 A HA -0.253 4.066 4.320 -0.001 0.000 0.220 111 A C 2.272 179.770 177.584 -0.143 0.000 1.198 111 A CA 2.617 54.619 52.037 -0.057 0.000 0.647 111 A CB -1.322 17.648 19.000 -0.049 0.000 0.825 111 A HN 0.511 nan 8.150 nan 0.000 0.456 112 T N -5.407 109.066 114.554 -0.135 0.000 3.380 112 T HA 0.246 4.595 4.350 -0.001 0.000 0.250 112 T C 0.640 175.300 174.700 -0.067 0.000 1.082 112 T CA 0.943 62.912 62.100 -0.217 0.000 0.968 112 T CB -0.204 68.573 68.868 -0.151 0.000 1.027 112 T HN 0.565 nan 8.240 nan 0.000 0.575 113 Y N -0.372 119.836 120.300 -0.154 0.000 2.524 113 Y HA 0.383 4.932 4.550 -0.001 0.000 0.276 113 Y C 2.043 177.882 175.900 -0.100 0.000 1.155 113 Y CA -0.296 57.738 58.100 -0.109 0.000 1.165 113 Y CB 0.453 38.870 38.460 -0.072 0.000 1.306 113 Y HN 0.126 nan 8.280 nan 0.000 0.522 114 Q N -0.063 119.708 119.800 -0.048 0.000 2.291 114 Q HA -0.080 4.259 4.340 -0.001 0.000 0.205 114 Q C 1.371 177.274 176.000 -0.161 0.000 0.970 114 Q CA 1.239 56.981 55.803 -0.102 0.000 0.876 114 Q CB 0.127 28.845 28.738 -0.033 0.000 0.935 114 Q HN 0.436 nan 8.270 nan 0.000 0.455 115 L N -1.424 119.680 121.223 -0.197 0.000 2.270 115 L HA 0.145 4.484 4.340 -0.001 0.000 0.210 115 L C 1.157 177.879 176.870 -0.247 0.000 1.104 115 L CA 1.684 56.380 54.840 -0.240 0.000 0.804 115 L CB 0.200 42.027 42.059 -0.386 0.000 0.937 115 L HN 0.325 nan 8.230 nan 0.000 0.450 116 G N -1.347 107.287 108.800 -0.277 0.000 2.141 116 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.195 116 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.195 116 G C 0.027 174.805 174.900 -0.204 0.000 1.012 116 G CA 0.319 45.241 45.100 -0.297 0.000 0.696 116 G HN 0.255 nan 8.290 nan 0.000 0.508 117 L N -0.852 120.283 121.223 -0.148 0.000 2.755 117 L HA 0.959 5.298 4.340 -0.001 0.000 0.243 117 L C 0.135 177.039 176.870 0.057 0.000 1.579 117 L CA -0.876 53.914 54.840 -0.084 0.000 1.669 117 L CB 0.725 42.701 42.059 -0.138 0.000 2.294 117 L HN 0.051 nan 8.230 nan 0.000 0.588 118 D N -0.733 119.708 120.400 0.067 0.000 2.365 118 D HA 0.197 4.836 4.640 -0.001 0.000 0.235 118 D C 0.188 176.529 176.300 0.069 0.000 1.368 118 D CA -0.309 53.743 54.000 0.087 0.000 1.001 118 D CB 1.258 42.105 40.800 0.078 0.000 1.364 118 D HN 0.501 nan 8.370 nan 0.000 0.577 119 M N 2.313 121.949 119.600 0.060 0.000 2.346 119 M HA -0.118 4.361 4.480 -0.001 0.000 0.263 119 M C 1.255 177.592 176.300 0.062 0.000 1.064 119 M CA 1.632 56.977 55.300 0.074 0.000 1.083 119 M CB 0.312 32.948 32.600 0.059 0.000 1.399 119 M HN 0.467 nan 8.290 nan 0.000 0.435 120 E N -0.175 120.045 120.200 0.032 0.000 2.086 120 E HA -0.229 4.120 4.350 -0.001 0.000 0.190 120 E C 1.735 178.349 176.600 0.023 0.000 0.975 120 E CA 1.276 57.685 56.400 0.015 0.000 0.813 120 E CB 0.080 29.778 29.700 -0.004 0.000 0.768 120 E HN 0.561 nan 8.360 nan 0.000 0.457 121 E N 0.868 121.090 120.200 0.037 0.000 2.058 121 E HA -0.209 4.141 4.350 -0.001 0.000 0.194 121 E C 1.943 178.577 176.600 0.056 0.000 0.997 121 E CA 1.438 57.864 56.400 0.043 0.000 0.801 121 E CB -0.467 29.265 29.700 0.053 0.000 0.746 121 E HN 0.290 nan 8.360 nan 0.000 0.450 122 L N 0.368 121.649 121.223 0.097 0.000 2.043 122 L HA -0.229 4.110 4.340 -0.001 0.000 0.212 122 L C 2.628 179.553 176.870 0.092 0.000 1.075 122 L CA 2.061 56.991 54.840 0.150 0.000 0.752 122 L CB -0.668 41.538 42.059 0.245 0.000 0.891 122 L HN 0.298 nan 8.230 nan 0.000 0.432 123 E N -0.159 120.082 120.200 0.068 0.000 2.130 123 E HA -0.225 4.124 4.350 -0.001 0.000 0.196 123 E C 1.797 178.334 176.600 -0.106 0.000 0.998 123 E CA 1.013 57.413 56.400 0.000 0.000 0.806 123 E CB -0.023 29.677 29.700 0.001 0.000 0.738 123 E HN 0.442 nan 8.360 nan 0.000 0.459 124 E N 0.144 120.300 120.200 -0.073 0.000 2.511 124 E HA -0.083 4.266 4.350 -0.001 0.000 0.196 124 E C 1.351 177.882 176.600 -0.115 0.000 1.066 124 E CA 0.209 56.558 56.400 -0.085 0.000 0.871 124 E CB 0.186 29.864 29.700 -0.037 0.000 0.863 124 E HN 0.248 nan 8.360 nan 0.000 0.520 125 I N 1.061 121.520 120.570 -0.185 0.000 2.928 125 I HA -0.103 4.066 4.170 -0.001 0.000 0.266 125 I C 1.181 177.078 176.117 -0.366 0.000 1.234 125 I CA 0.472 61.636 61.300 -0.226 0.000 1.483 125 I CB -0.019 37.879 38.000 -0.170 0.000 1.097 125 I HN -0.044 nan 8.210 nan 0.000 0.455 126 E N 2.511 122.395 120.200 -0.527 0.000 2.265 126 E HA 0.006 4.355 4.350 -0.001 0.000 0.272 126 E C -0.075 176.443 176.600 -0.137 0.000 1.067 126 E CA -0.210 55.912 56.400 -0.462 0.000 0.900 126 E CB 0.426 29.833 29.700 -0.489 0.000 1.017 126 E HN 0.184 nan 8.360 nan 0.000 0.431 127 E N 3.305 123.507 120.200 0.004 0.000 2.418 127 E HA -0.010 4.339 4.350 -0.001 0.000 0.261 127 E C -0.679 175.953 176.600 0.052 0.000 1.070 127 E CA 0.147 56.609 56.400 0.104 0.000 0.931 127 E CB 0.523 30.387 29.700 0.273 0.000 0.954 127 E HN 0.492 nan 8.360 nan 0.000 0.439 128 D N 0.489 120.888 120.400 -0.001 0.000 2.389 128 D HA 0.174 4.813 4.640 -0.001 0.000 0.247 128 D C -0.381 175.760 176.300 -0.265 0.000 1.128 128 D CA 0.043 53.978 54.000 -0.107 0.000 0.884 128 D CB 0.690 41.428 40.800 -0.103 0.000 1.194 128 D HN 0.392 nan 8.370 nan 0.000 0.441 129 A N 2.733 125.331 122.820 -0.370 0.000 2.639 129 A HA 0.391 4.710 4.320 -0.001 0.000 0.295 129 A C 1.105 178.292 177.584 -0.662 0.000 1.443 129 A CA -0.266 51.294 52.037 -0.795 0.000 1.117 129 A CB -0.526 18.191 19.000 -0.471 0.000 1.098 129 A HN 0.566 nan 8.150 nan 0.000 0.552 130 G N 2.102 110.247 108.800 -1.090 0.000 2.852 130 G HA2 0.399 4.359 3.960 -0.001 0.000 0.280 130 G HA3 0.399 4.359 3.960 -0.001 0.000 0.280 130 G C 0.257 175.127 174.900 -0.051 0.000 0.731 130 G CA -0.195 44.633 45.100 -0.454 0.000 2.037 130 G HN 0.563 nan 8.290 nan 0.000 0.560 131 L N 1.452 122.723 121.223 0.079 0.000 2.959 131 L HA 0.367 4.706 4.340 -0.001 0.000 0.259 131 L C 1.134 178.127 176.870 0.204 0.000 1.185 131 L CA -0.024 54.976 54.840 0.266 0.000 0.998 131 L CB -0.236 41.961 42.059 0.229 0.000 1.337 131 L HN 0.429 nan 8.230 nan 0.000 0.555 132 G N -0.401 108.386 108.800 -0.022 0.000 2.921 132 G HA2 0.404 4.364 3.960 -0.001 0.000 0.291 132 G HA3 0.404 4.364 3.960 -0.001 0.000 0.291 132 G C 0.004 174.502 174.900 -0.670 0.000 1.370 132 G CA 0.005 44.809 45.100 -0.494 0.000 0.847 132 G HN 0.004 nan 8.290 nan 0.000 0.532 133 N N -2.916 115.212 118.700 -0.954 0.000 2.072 133 N HA 0.337 5.076 4.740 -0.001 0.000 0.246 133 N C 0.608 175.897 175.510 -0.367 0.000 1.215 133 N CA 1.393 54.136 53.050 -0.512 0.000 0.799 133 N CB 0.998 39.346 38.487 -0.232 0.000 1.407 133 N HN 1.090 nan 8.380 nan 0.000 0.489 134 G N -1.365 107.195 108.800 -0.400 0.000 2.512 134 G HA2 0.304 4.263 3.960 -0.001 0.000 0.186 134 G HA3 0.304 4.263 3.960 -0.001 0.000 0.186 134 G C -0.141 174.844 174.900 0.141 0.000 1.189 134 G CA -0.054 45.104 45.100 0.098 0.000 0.994 134 G HN 0.139 nan 8.290 nan 0.000 0.506 135 G N 0.057 108.923 108.800 0.110 0.000 3.155 135 G HA2 0.308 4.268 3.960 -0.001 0.000 0.213 135 G HA3 0.308 4.268 3.960 -0.001 0.000 0.213 135 G C 1.004 175.898 174.900 -0.009 0.000 1.196 135 G CA 0.554 45.702 45.100 0.080 0.000 0.846 135 G HN 0.365 nan 8.290 nan 0.000 0.516 136 L N -0.301 120.878 121.223 -0.074 0.000 2.537 136 L HA 0.271 4.610 4.340 -0.001 0.000 0.224 136 L C 2.243 179.024 176.870 -0.148 0.000 1.065 136 L CA 1.356 56.084 54.840 -0.187 0.000 0.860 136 L CB -0.271 41.659 42.059 -0.215 0.000 1.086 136 L HN 0.260 nan 8.230 nan 0.000 0.482 137 G N -0.187 108.561 108.800 -0.087 0.000 2.408 137 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.213 137 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.213 137 G C 1.544 176.540 174.900 0.159 0.000 1.177 137 G CA 0.326 45.407 45.100 -0.031 0.000 0.802 137 G HN 0.200 nan 8.290 nan 0.000 0.533 138 R N -0.136 120.552 120.500 0.313 0.000 2.193 138 R HA 0.076 4.416 4.340 -0.001 0.000 0.229 138 R C 2.177 178.560 176.300 0.138 0.000 1.110 138 R CA 0.712 56.985 56.100 0.288 0.000 0.988 138 R CB -0.602 29.879 30.300 0.302 0.000 0.871 138 R HN 0.364 nan 8.270 nan 0.000 0.458 139 L N -0.357 120.889 121.223 0.039 0.000 1.993 139 L HA 0.166 4.505 4.340 -0.001 0.000 0.206 139 L C 2.053 178.829 176.870 -0.155 0.000 1.074 139 L CA 2.198 56.984 54.840 -0.089 0.000 0.746 139 L CB -1.214 40.746 42.059 -0.165 0.000 0.896 139 L HN 0.184 nan 8.230 nan 0.000 0.435 140 A N -0.363 122.398 122.820 -0.097 0.000 1.940 140 A HA -0.161 4.158 4.320 -0.001 0.000 0.219 140 A C 2.434 180.196 177.584 0.296 0.000 1.176 140 A CA 2.033 54.158 52.037 0.147 0.000 0.631 140 A CB -1.267 17.848 19.000 0.192 0.000 0.814 140 A HN 0.607 nan 8.150 nan 0.000 0.446 141 A N -0.916 122.071 122.820 0.278 0.000 1.917 141 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 141 A C 2.349 180.063 177.584 0.217 0.000 1.182 141 A CA 1.905 54.110 52.037 0.280 0.000 0.633 141 A CB -1.339 17.811 19.000 0.249 0.000 0.819 141 A HN 0.621 nan 8.150 nan 0.000 0.448 142 C N -1.822 117.612 119.300 0.223 0.000 2.462 142 C HA -0.023 4.436 4.460 -0.001 0.000 0.278 142 C C 2.338 177.514 174.990 0.310 0.000 1.253 142 C CA 0.623 59.793 59.018 0.254 0.000 1.713 142 C CB -1.625 26.288 27.740 0.290 0.000 2.049 142 C HN 0.629 nan 8.230 nan 0.000 0.477 143 F N 1.099 121.095 119.950 0.077 0.000 2.373 143 F HA -0.077 4.449 4.527 -0.001 0.000 0.300 143 F C 2.133 177.918 175.800 -0.026 0.000 1.080 143 F CA 0.789 58.779 58.000 -0.017 0.000 1.417 143 F CB -1.227 37.669 39.000 -0.173 0.000 1.070 143 F HN 0.254 nan 8.300 nan 0.000 0.546 144 L N -0.833 120.522 121.223 0.220 0.000 2.209 144 L HA -0.149 4.190 4.340 -0.001 0.000 0.207 144 L C 2.179 179.075 176.870 0.044 0.000 1.094 144 L CA 1.191 56.099 54.840 0.114 0.000 0.790 144 L CB -0.399 41.741 42.059 0.135 0.000 0.932 144 L HN 0.007 nan 8.230 nan 0.000 0.447 145 D N -0.283 120.152 120.400 0.058 0.000 2.097 145 D HA -0.148 4.491 4.640 -0.001 0.000 0.197 145 D C 2.118 178.427 176.300 0.015 0.000 0.984 145 D CA 1.271 55.281 54.000 0.016 0.000 0.826 145 D CB 0.247 41.054 40.800 0.012 0.000 0.973 145 D HN -0.014 nan 8.370 nan 0.000 0.460 146 S N -0.756 114.964 115.700 0.032 0.000 2.522 146 S HA 0.050 4.519 4.470 -0.001 0.000 0.227 146 S C 1.851 176.445 174.600 -0.009 0.000 0.986 146 S CA 0.270 58.473 58.200 0.005 0.000 0.929 146 S CB -0.084 63.117 63.200 0.001 0.000 0.769 146 S HN 0.345 nan 8.310 nan 0.000 0.529 147 M N 0.574 120.166 119.600 -0.012 0.000 2.388 147 M HA 0.080 4.559 4.480 -0.001 0.000 0.265 147 M C 2.391 178.674 176.300 -0.028 0.000 1.088 147 M CA 0.780 56.065 55.300 -0.025 0.000 1.134 147 M CB -0.355 32.212 32.600 -0.056 0.000 1.384 147 M HN 0.376 nan 8.290 nan 0.000 0.447 148 A N 0.137 122.941 122.820 -0.027 0.000 1.897 148 A HA -0.096 4.224 4.320 -0.001 0.000 0.215 148 A C 2.166 179.757 177.584 0.011 0.000 1.181 148 A CA 1.918 53.940 52.037 -0.025 0.000 0.620 148 A CB -0.919 18.055 19.000 -0.043 0.000 0.821 148 A HN 0.387 nan 8.150 nan 0.000 0.443 149 T N 0.365 114.934 114.554 0.025 0.000 2.812 149 T HA 0.034 4.383 4.350 -0.001 0.000 0.264 149 T C 1.173 175.899 174.700 0.043 0.000 1.042 149 T CA 0.595 62.727 62.100 0.053 0.000 1.140 149 T CB -0.185 68.721 68.868 0.063 0.000 0.870 149 T HN 0.173 nan 8.240 nan 0.000 0.445 150 L N 1.798 123.036 121.223 0.025 0.000 2.855 150 L HA 0.147 4.487 4.340 -0.001 0.000 0.257 150 L C 2.043 178.932 176.870 0.032 0.000 1.206 150 L CA 0.764 55.619 54.840 0.025 0.000 1.042 150 L CB -1.808 40.260 42.059 0.014 0.000 1.321 150 L HN 0.548 nan 8.230 nan 0.000 0.417 151 G N 0.224 109.050 108.800 0.044 0.000 2.343 151 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.264 151 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.264 151 G C 0.669 175.597 174.900 0.047 0.000 0.989 151 G CA 0.420 45.558 45.100 0.063 0.000 0.627 151 G HN 0.416 nan 8.290 nan 0.000 0.549 152 L N 0.651 121.870 121.223 -0.006 0.000 2.485 152 L HA 0.410 4.749 4.340 -0.001 0.000 0.275 152 L C 1.490 178.236 176.870 -0.205 0.000 1.207 152 L CA 0.254 55.040 54.840 -0.090 0.000 0.855 152 L CB 0.752 42.776 42.059 -0.060 0.000 1.114 152 L HN 0.277 nan 8.230 nan 0.000 0.485 153 A N 3.447 126.022 122.820 -0.409 0.000 3.074 153 A HA 0.532 4.851 4.320 -0.001 0.000 0.251 153 A C 0.550 177.840 177.584 -0.491 0.000 1.695 153 A CA -0.140 51.476 52.037 -0.702 0.000 1.343 153 A CB -0.707 17.711 19.000 -0.969 0.000 1.078 153 A HN 0.699 nan 8.150 nan 0.000 0.644 154 A N 0.579 123.165 122.820 -0.391 0.000 2.290 154 A HA 0.667 4.987 4.320 -0.001 0.000 0.310 154 A C -0.913 176.467 177.584 -0.341 0.000 1.202 154 A CA -0.314 51.538 52.037 -0.309 0.000 0.837 154 A CB 0.238 19.096 19.000 -0.236 0.000 1.139 154 A HN 0.492 nan 8.150 nan 0.000 0.509 155 Y N 0.871 121.076 120.300 -0.159 0.000 2.341 155 Y HA 0.523 5.072 4.550 -0.001 0.000 0.337 155 Y C 0.982 176.960 175.900 0.130 0.000 1.014 155 Y CA -0.262 57.831 58.100 -0.013 0.000 1.111 155 Y CB 2.113 40.688 38.460 0.191 0.000 1.194 155 Y HN 0.761 nan 8.280 nan 0.000 0.462 156 G N 2.860 111.739 108.800 0.132 0.000 2.370 156 G HA2 0.498 4.457 3.960 -0.001 0.000 0.317 156 G HA3 0.498 4.457 3.960 -0.001 0.000 0.317 156 G C -1.827 173.095 174.900 0.037 0.000 1.162 156 G CA -0.353 44.856 45.100 0.182 0.000 0.922 156 G HN 0.489 nan 8.290 nan 0.000 0.454 157 Y N 1.075 121.539 120.300 0.274 0.000 2.391 157 Y HA 0.679 5.229 4.550 -0.001 0.000 0.341 157 Y C 0.714 176.909 175.900 0.493 0.000 0.965 157 Y CA -0.039 58.224 58.100 0.272 0.000 1.067 157 Y CB 2.772 41.444 38.460 0.353 0.000 1.199 157 Y HN 0.873 nan 8.280 nan 0.000 0.450 158 G N 2.012 111.178 108.800 0.611 0.000 2.772 158 G HA2 0.657 4.616 3.960 -0.001 0.000 0.284 158 G HA3 0.657 4.616 3.960 -0.001 0.000 0.284 158 G C -1.766 173.382 174.900 0.413 0.000 1.217 158 G CA -0.740 44.727 45.100 0.610 0.000 0.831 158 G HN 0.434 nan 8.290 nan 0.000 0.523 159 I N 0.172 120.855 120.570 0.189 0.000 2.646 159 I HA 0.506 4.675 4.170 -0.001 0.000 0.299 159 I C -0.092 175.839 176.117 -0.310 0.000 1.036 159 I CA -0.856 60.464 61.300 0.033 0.000 1.074 159 I CB 2.523 40.535 38.000 0.021 0.000 1.258 159 I HN 0.345 nan 8.210 nan 0.000 0.430 160 R N 4.692 125.092 120.500 -0.167 0.000 2.215 160 R HA 0.341 4.680 4.340 -0.001 0.000 0.337 160 R C -1.731 174.487 176.300 -0.137 0.000 1.010 160 R CA -0.501 55.503 56.100 -0.160 0.000 0.871 160 R CB 0.468 30.662 30.300 -0.175 0.000 1.134 160 R HN 0.397 nan 8.270 nan 0.000 0.477 161 Y N 3.002 123.393 120.300 0.153 0.000 2.365 161 Y HA 0.079 4.628 4.550 -0.001 0.000 0.340 161 Y C 1.213 177.058 175.900 -0.092 0.000 1.016 161 Y CA -0.625 57.525 58.100 0.083 0.000 1.196 161 Y CB 1.316 39.872 38.460 0.161 0.000 1.167 161 Y HN 0.652 nan 8.280 nan 0.000 0.509 162 E N 1.856 121.947 120.200 -0.181 0.000 2.130 162 E HA -0.192 4.157 4.350 -0.001 0.000 0.196 162 E C 0.608 176.605 176.600 -1.005 0.000 0.998 162 E CA 1.935 57.895 56.400 -0.732 0.000 0.806 162 E CB -0.195 28.923 29.700 -0.971 0.000 0.738 162 E HN 0.698 nan 8.360 nan 0.000 0.459 163 F N -1.659 118.334 119.950 0.073 0.000 2.706 163 F HA 0.390 4.916 4.527 -0.001 0.000 0.313 163 F C 1.571 177.534 175.800 0.272 0.000 1.096 163 F CA 0.212 58.292 58.000 0.132 0.000 1.219 163 F CB 0.195 39.233 39.000 0.064 0.000 1.051 163 F HN 0.092 nan 8.300 nan 0.000 0.568 164 G N 1.919 110.973 108.800 0.423 0.000 2.622 164 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.307 164 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.307 164 G C -0.251 174.677 174.900 0.046 0.000 1.226 164 G CA 0.305 45.578 45.100 0.288 0.000 0.997 164 G HN 0.298 nan 8.290 nan 0.000 0.551 165 I N 0.911 121.500 120.570 0.032 0.000 2.740 165 I HA 0.601 4.770 4.170 -0.001 0.000 0.303 165 I C 1.060 177.198 176.117 0.035 0.000 1.044 165 I CA -1.387 59.909 61.300 -0.007 0.000 1.064 165 I CB 1.398 39.322 38.000 -0.126 0.000 1.249 165 I HN 0.790 nan 8.210 nan 0.000 0.433 166 F N 3.795 123.791 119.950 0.077 0.000 2.670 166 F HA -0.062 4.464 4.527 -0.001 0.000 0.325 166 F C -0.344 175.531 175.800 0.124 0.000 1.125 166 F CA -0.015 58.044 58.000 0.098 0.000 1.345 166 F CB -0.402 38.643 39.000 0.076 0.000 1.019 166 F HN 0.404 nan 8.300 nan 0.000 0.640 167 N N 1.198 120.091 118.700 0.322 0.000 2.430 167 N HA 0.142 4.882 4.740 -0.001 0.000 0.292 167 N C -0.922 174.835 175.510 0.411 0.000 1.051 167 N CA -0.844 52.353 53.050 0.246 0.000 0.917 167 N CB 1.037 39.651 38.487 0.210 0.000 1.164 167 N HN 0.670 nan 8.380 nan 0.000 0.484 168 Q N 1.739 121.753 119.800 0.357 0.000 2.317 168 Q HA 0.267 4.607 4.340 -0.001 0.000 0.229 168 Q C -1.076 175.071 176.000 0.246 0.000 0.984 168 Q CA -0.030 56.016 55.803 0.405 0.000 0.911 168 Q CB 0.879 29.837 28.738 0.366 0.000 1.217 168 Q HN 0.307 nan 8.270 nan 0.000 0.501 169 K N 2.670 123.189 120.400 0.199 0.000 2.695 169 K HA 0.270 4.589 4.320 -0.001 0.000 0.255 169 K C -1.440 175.222 176.600 0.104 0.000 1.016 169 K CA -0.357 56.006 56.287 0.126 0.000 0.928 169 K CB 0.730 33.300 32.500 0.116 0.000 1.235 169 K HN 0.469 nan 8.250 nan 0.000 0.467 170 I N 4.439 125.049 120.570 0.066 0.000 2.483 170 I HA 0.104 4.273 4.170 -0.001 0.000 0.291 170 I C -0.355 175.780 176.117 0.029 0.000 1.112 170 I CA -0.275 61.048 61.300 0.038 0.000 1.350 170 I CB -0.567 37.446 38.000 0.022 0.000 1.419 170 I HN 0.542 nan 8.210 nan 0.000 0.523 171 C N 3.763 123.102 119.300 0.066 0.000 2.481 171 C HA 0.586 5.045 4.460 -0.001 0.000 0.324 171 C C 1.147 176.208 174.990 0.119 0.000 1.170 171 C CA -0.393 58.670 59.018 0.075 0.000 1.361 171 C CB 1.003 28.796 27.740 0.087 0.000 1.977 171 C HN 1.042 nan 8.230 nan 0.000 0.459 172 G N 1.892 110.732 108.800 0.067 0.000 2.187 172 G HA2 0.112 4.072 3.960 -0.001 0.000 0.261 172 G HA3 0.112 4.072 3.960 -0.001 0.000 0.261 172 G C 1.161 175.988 174.900 -0.122 0.000 1.000 172 G CA 1.381 46.518 45.100 0.062 0.000 0.718 172 G HN 2.492 nan 8.290 nan 0.000 0.519 173 G N -2.369 106.318 108.800 -0.188 0.000 2.279 173 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.223 173 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.223 173 G C 0.689 175.298 174.900 -0.484 0.000 1.015 173 G CA 0.485 45.337 45.100 -0.415 0.000 0.621 173 G HN 1.083 nan 8.290 nan 0.000 0.506 174 W N 1.199 122.439 121.300 -0.100 0.000 1.966 174 W HA 0.631 5.290 4.660 -0.001 0.000 0.367 174 W C 0.957 177.432 176.519 -0.074 0.000 1.451 174 W CA -0.168 57.120 57.345 -0.096 0.000 1.538 174 W CB 0.315 29.737 29.460 -0.063 0.000 1.251 174 W HN 0.239 nan 8.180 nan 0.000 0.671 175 Q N 1.415 121.368 119.800 0.256 0.000 2.290 175 Q HA 0.468 4.808 4.340 -0.001 0.000 0.259 175 Q C -1.243 174.820 176.000 0.104 0.000 0.941 175 Q CA -0.463 55.437 55.803 0.161 0.000 0.912 175 Q CB 0.897 29.730 28.738 0.158 0.000 1.244 175 Q HN 0.488 nan 8.270 nan 0.000 0.441 176 M N 3.913 123.569 119.600 0.092 0.000 2.243 176 M HA 0.227 4.706 4.480 -0.001 0.000 0.324 176 M C -0.874 175.447 176.300 0.037 0.000 1.031 176 M CA -0.645 54.675 55.300 0.035 0.000 0.949 176 M CB 1.839 34.470 32.600 0.052 0.000 1.615 176 M HN 0.494 nan 8.290 nan 0.000 0.430 177 E N 3.076 123.219 120.200 -0.096 0.000 1.936 177 E HA 0.107 4.456 4.350 -0.001 0.000 0.267 177 E C -0.891 175.724 176.600 0.024 0.000 1.076 177 E CA -0.142 56.169 56.400 -0.149 0.000 0.870 177 E CB 0.218 29.423 29.700 -0.825 0.000 1.093 177 E HN 0.615 nan 8.360 nan 0.000 0.411 178 E N 2.693 122.983 120.200 0.151 0.000 2.028 178 E HA 0.374 4.723 4.350 -0.001 0.000 0.266 178 E C -0.392 176.317 176.600 0.180 0.000 0.962 178 E CA -0.627 55.850 56.400 0.129 0.000 0.784 178 E CB 0.654 30.427 29.700 0.122 0.000 1.114 178 E HN 0.553 nan 8.360 nan 0.000 0.414 179 A N 4.161 127.069 122.820 0.146 0.000 2.642 179 A HA -0.141 4.178 4.320 -0.001 0.000 0.228 179 A C 0.197 177.903 177.584 0.205 0.000 1.045 179 A CA 0.618 52.751 52.037 0.160 0.000 0.760 179 A CB 0.181 19.195 19.000 0.023 0.000 0.958 179 A HN 0.726 nan 8.150 nan 0.000 0.505 180 D N 0.799 121.367 120.400 0.281 0.000 2.472 180 D HA 0.300 4.940 4.640 -0.001 0.000 0.234 180 D C -1.041 175.508 176.300 0.415 0.000 1.088 180 D CA -0.316 53.876 54.000 0.320 0.000 0.882 180 D CB 0.793 41.773 40.800 0.301 0.000 1.037 180 D HN 0.386 nan 8.370 nan 0.000 0.520 181 D N 4.769 125.369 120.400 0.334 0.000 2.639 181 D HA 0.024 4.664 4.640 -0.001 0.000 0.233 181 D C 1.421 177.777 176.300 0.093 0.000 1.161 181 D CA -0.692 53.450 54.000 0.235 0.000 1.003 181 D CB -0.093 40.844 40.800 0.228 0.000 1.034 181 D HN 0.535 nan 8.370 nan 0.000 0.514 182 W N 2.007 123.359 121.300 0.087 0.000 2.379 182 W HA -0.130 4.529 4.660 -0.001 0.000 0.307 182 W C 0.768 177.333 176.519 0.077 0.000 1.200 182 W CA 0.087 57.485 57.345 0.089 0.000 1.297 182 W CB -0.854 28.664 29.460 0.098 0.000 1.140 182 W HN 0.224 nan 8.180 nan 0.000 0.507 183 L N 3.556 124.293 121.223 -0.810 0.000 2.650 183 L HA -0.010 4.329 4.340 -0.001 0.000 0.235 183 L C 2.797 179.465 176.870 -0.338 0.000 1.149 183 L CA 0.911 55.317 54.840 -0.724 0.000 0.887 183 L CB -0.867 40.403 42.059 -1.314 0.000 1.021 183 L HN -0.020 nan 8.230 nan 0.000 0.441 184 R N -0.628 119.723 120.500 -0.249 0.000 2.073 184 R HA -0.228 4.112 4.340 -0.001 0.000 0.234 184 R C 1.111 177.292 176.300 -0.198 0.000 1.134 184 R CA 1.875 57.823 56.100 -0.253 0.000 0.952 184 R CB -1.471 28.617 30.300 -0.353 0.000 0.850 184 R HN 0.375 nan 8.270 nan 0.000 0.433 185 Y N 1.388 121.752 120.300 0.106 0.000 2.553 185 Y HA 0.285 4.835 4.550 -0.001 0.000 0.303 185 Y C 1.374 177.324 175.900 0.083 0.000 1.194 185 Y CA 0.582 58.787 58.100 0.175 0.000 1.305 185 Y CB -0.475 38.216 38.460 0.385 0.000 1.045 185 Y HN 0.602 nan 8.280 nan 0.000 0.514 186 G N 0.862 109.733 108.800 0.118 0.000 2.655 186 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.680 186 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.680 186 G C -1.078 173.884 174.900 0.103 0.000 1.302 186 G CA -0.575 44.519 45.100 -0.011 0.000 0.872 186 G HN 0.383 nan 8.290 nan 0.000 0.540 187 N N 0.445 119.184 118.700 0.065 0.000 2.581 187 N HA 0.636 5.375 4.740 -0.001 0.000 0.279 187 N C -1.014 174.497 175.510 0.000 0.000 1.124 187 N CA -1.380 51.797 53.050 0.210 0.000 0.833 187 N CB 2.144 40.858 38.487 0.377 0.000 1.338 187 N HN 0.154 nan 8.380 nan 0.000 0.533 188 P HA -0.150 nan 4.420 nan 0.000 0.218 188 P C 0.302 177.176 177.300 -0.709 0.000 1.154 188 P CA 1.596 64.224 63.100 -0.787 0.000 0.872 188 P CB 0.000 30.908 31.700 -1.321 0.000 0.790 189 W N 0.446 121.769 121.300 0.038 0.000 3.180 189 W HA 0.078 4.737 4.660 -0.001 0.000 0.254 189 W C 1.106 177.681 176.519 0.093 0.000 1.318 189 W CA -0.383 56.996 57.345 0.057 0.000 1.608 189 W CB -0.222 29.279 29.460 0.068 0.000 1.124 189 W HN 0.064 nan 8.180 nan 0.000 0.694 190 E N 0.821 121.152 120.200 0.218 0.000 2.299 190 E HA 0.435 4.784 4.350 -0.001 0.000 0.265 190 E C -0.979 175.721 176.600 0.167 0.000 0.911 190 E CA -0.943 55.605 56.400 0.247 0.000 0.789 190 E CB 1.962 31.856 29.700 0.325 0.000 1.246 190 E HN -0.212 nan 8.360 nan 0.000 0.427 191 K N 1.150 121.639 120.400 0.148 0.000 2.378 191 K HA 0.527 4.846 4.320 -0.001 0.000 0.252 191 K C -1.089 175.369 176.600 -0.237 0.000 0.931 191 K CA -0.691 55.592 56.287 -0.007 0.000 0.794 191 K CB 2.028 34.533 32.500 0.008 0.000 1.181 191 K HN 0.678 nan 8.250 nan 0.000 0.425 192 A N 3.026 125.562 122.820 -0.473 0.000 2.322 192 A HA 0.432 4.751 4.320 -0.001 0.000 0.269 192 A C -0.114 177.141 177.584 -0.548 0.000 1.094 192 A CA -0.338 51.131 52.037 -0.946 0.000 0.807 192 A CB 0.441 19.020 19.000 -0.701 0.000 1.047 192 A HN 0.691 nan 8.150 nan 0.000 0.487 193 R N 1.530 121.724 120.500 -0.510 0.000 2.701 193 R HA 0.195 4.535 4.340 -0.001 0.000 0.281 193 R C -2.485 173.596 176.300 -0.364 0.000 1.367 193 R CA -1.390 54.446 56.100 -0.440 0.000 1.510 193 R CB 0.265 30.333 30.300 -0.388 0.000 1.306 193 R HN 0.437 nan 8.270 nan 0.000 0.682 194 P HA -0.297 nan 4.420 nan 0.000 0.222 194 P C 1.384 178.595 177.300 -0.148 0.000 1.154 194 P CA 1.611 64.617 63.100 -0.157 0.000 0.874 194 P CB 0.296 31.914 31.700 -0.137 0.000 0.787 195 E N -0.822 119.206 120.200 -0.287 0.000 2.153 195 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 195 E C 0.364 176.892 176.600 -0.120 0.000 0.988 195 E CA 1.301 57.538 56.400 -0.272 0.000 0.811 195 E CB -0.830 28.598 29.700 -0.452 0.000 0.746 195 E HN 0.274 nan 8.360 nan 0.000 0.466 196 F N 1.973 121.942 119.950 0.032 0.000 2.942 196 F HA 0.364 4.890 4.527 -0.001 0.000 0.324 196 F C 0.013 175.898 175.800 0.142 0.000 1.265 196 F CA -0.993 57.052 58.000 0.076 0.000 1.255 196 F CB 0.205 39.249 39.000 0.073 0.000 1.048 196 F HN -0.316 nan 8.300 nan 0.000 0.512 197 T N 3.201 117.891 114.554 0.226 0.000 2.780 197 T HA 0.654 5.003 4.350 -0.001 0.000 0.294 197 T C 0.065 174.886 174.700 0.202 0.000 0.949 197 T CA -0.082 62.157 62.100 0.232 0.000 1.074 197 T CB 0.652 69.608 68.868 0.146 0.000 0.910 197 T HN 0.100 nan 8.240 nan 0.000 0.501 198 L N 5.583 126.924 121.223 0.198 0.000 2.303 198 L HA 0.688 5.028 4.340 -0.001 0.000 0.266 198 L C -2.271 174.641 176.870 0.069 0.000 1.011 198 L CA -2.598 52.304 54.840 0.103 0.000 0.818 198 L CB 1.507 43.590 42.059 0.040 0.000 1.326 198 L HN 0.359 nan 8.230 nan 0.000 0.435 199 P HA 0.233 nan 4.420 nan 0.000 0.286 199 P C -1.140 176.204 177.300 0.073 0.000 1.261 199 P CA -0.412 62.749 63.100 0.100 0.000 0.821 199 P CB 2.047 33.841 31.700 0.156 0.000 1.013 200 V N 3.942 123.925 119.914 0.114 0.000 2.347 200 V HA 0.219 4.338 4.120 -0.001 0.000 0.280 200 V C 0.718 176.905 176.094 0.156 0.000 1.021 200 V CA -0.577 61.761 62.300 0.062 0.000 0.847 200 V CB 0.029 31.922 31.823 0.117 0.000 0.990 200 V HN 0.572 nan 8.190 nan 0.000 0.444 201 H N 4.291 123.277 119.070 -0.140 0.000 2.652 201 H HA 0.473 5.029 4.556 -0.001 0.000 0.349 201 H C -1.078 174.058 175.328 -0.320 0.000 1.099 201 H CA 0.250 56.156 56.048 -0.237 0.000 1.417 201 H CB 1.204 30.633 29.762 -0.555 0.000 1.457 201 H HN 0.465 nan 8.280 nan 0.000 0.568 202 F N -0.024 119.922 119.950 -0.008 0.000 2.643 202 F HA 0.123 4.650 4.527 -0.001 0.000 0.314 202 F C -0.100 175.829 175.800 0.214 0.000 1.096 202 F CA -0.539 57.509 58.000 0.080 0.000 0.953 202 F CB 0.741 39.772 39.000 0.052 0.000 1.345 202 F HN 0.581 nan 8.300 nan 0.000 0.468 203 Y N 0.542 121.129 120.300 0.479 0.000 2.835 203 Y HA -0.126 4.423 4.550 -0.001 0.000 0.470 203 Y C 1.511 177.688 175.900 0.460 0.000 1.154 203 Y CA 1.289 59.601 58.100 0.354 0.000 2.680 203 Y CB -1.847 36.742 38.460 0.216 0.000 1.184 203 Y HN 1.275 nan 8.280 nan 0.000 0.622 204 G N 0.659 109.753 108.800 0.490 0.000 2.752 204 G HA2 0.035 3.995 3.960 -0.001 0.000 0.234 204 G HA3 0.035 3.995 3.960 -0.001 0.000 0.234 204 G C -0.599 174.588 174.900 0.478 0.000 1.367 204 G CA 0.671 46.015 45.100 0.407 0.000 0.879 204 G HN 1.242 nan 8.290 nan 0.000 0.563 205 R N -2.418 118.363 120.500 0.468 0.000 2.710 205 R HA 0.717 5.056 4.340 -0.001 0.000 0.270 205 R C -0.428 176.093 176.300 0.369 0.000 1.021 205 R CA -0.983 55.321 56.100 0.340 0.000 0.889 205 R CB 1.033 31.453 30.300 0.200 0.000 1.243 205 R HN 0.761 nan 8.270 nan 0.000 0.464 206 V N 0.415 120.451 119.914 0.203 0.000 3.264 206 V HA 0.327 4.446 4.120 -0.001 0.000 0.304 206 V C 0.191 176.371 176.094 0.144 0.000 1.086 206 V CA -0.120 62.266 62.300 0.143 0.000 1.090 206 V CB 1.041 32.894 31.823 0.051 0.000 1.112 206 V HN 0.882 nan 8.190 nan 0.000 0.472 207 E N 0.407 120.672 120.200 0.108 0.000 2.651 207 E HA 0.183 4.532 4.350 -0.001 0.000 0.360 207 E C -1.105 175.553 176.600 0.097 0.000 0.932 207 E CA -0.508 55.968 56.400 0.126 0.000 0.761 207 E CB 0.621 30.386 29.700 0.108 0.000 1.462 207 E HN 0.897 nan 8.360 nan 0.000 0.392 208 H N 1.546 120.648 119.070 0.053 0.000 2.690 208 H HA 0.264 4.819 4.556 -0.001 0.000 0.365 208 H C 0.584 175.937 175.328 0.042 0.000 1.142 208 H CA 0.939 57.015 56.048 0.046 0.000 1.417 208 H CB 1.548 31.331 29.762 0.034 0.000 1.446 208 H HN 0.560 nan 8.280 nan 0.000 0.599 209 T N -2.301 112.347 114.554 0.157 0.000 2.693 209 T HA 0.137 4.486 4.350 -0.001 0.000 0.278 209 T C 1.519 176.277 174.700 0.097 0.000 0.994 209 T CA -0.263 61.898 62.100 0.101 0.000 1.033 209 T CB 0.693 69.600 68.868 0.065 0.000 1.342 209 T HN 0.569 nan 8.240 nan 0.000 0.538 210 S N 0.524 116.265 115.700 0.068 0.000 2.389 210 S HA -0.322 4.147 4.470 -0.001 0.000 0.229 210 S C 1.952 176.590 174.600 0.063 0.000 1.048 210 S CA 2.056 60.291 58.200 0.058 0.000 1.117 210 S CB -0.929 62.299 63.200 0.046 0.000 1.020 210 S HN 0.733 nan 8.310 nan 0.000 0.430 211 Q N 1.525 121.361 119.800 0.059 0.000 2.373 211 Q HA 0.408 4.747 4.340 -0.001 0.000 0.210 211 Q C 1.006 177.047 176.000 0.068 0.000 0.913 211 Q CA 0.930 56.769 55.803 0.059 0.000 0.911 211 Q CB 0.301 29.067 28.738 0.047 0.000 1.040 211 Q HN 0.682 nan 8.270 nan 0.000 0.521 212 G N -1.069 107.768 108.800 0.061 0.000 3.111 212 G HA2 0.704 4.663 3.960 -0.001 0.000 0.158 212 G HA3 0.704 4.663 3.960 -0.001 0.000 0.158 212 G C -1.530 173.343 174.900 -0.046 0.000 1.161 212 G CA -0.182 44.941 45.100 0.039 0.000 1.025 212 G HN 0.270 nan 8.290 nan 0.000 0.619 213 A N -0.707 122.025 122.820 -0.147 0.000 2.572 213 A HA 0.775 5.095 4.320 -0.001 0.000 0.295 213 A C -1.156 176.366 177.584 -0.104 0.000 1.072 213 A CA -0.578 51.279 52.037 -0.300 0.000 0.691 213 A CB 1.923 20.496 19.000 -0.713 0.000 1.291 213 A HN 0.328 nan 8.150 nan 0.000 0.404 214 K N 0.263 120.637 120.400 -0.044 0.000 2.118 214 K HA 0.409 4.728 4.320 -0.001 0.000 0.254 214 K C -1.509 175.184 176.600 0.154 0.000 0.961 214 K CA -0.229 56.093 56.287 0.058 0.000 0.876 214 K CB 2.034 34.574 32.500 0.066 0.000 1.077 214 K HN 0.744 nan 8.250 nan 0.000 0.440 215 W N 4.349 125.644 121.300 -0.008 0.000 2.291 215 W HA 0.274 4.933 4.660 -0.001 0.000 0.288 215 W C -0.777 175.775 176.519 0.055 0.000 0.976 215 W CA -1.082 56.273 57.345 0.017 0.000 1.744 215 W CB -0.218 29.247 29.460 0.009 0.000 1.815 215 W HN 0.276 nan 8.180 nan 0.000 0.396 216 V N 0.958 120.977 119.914 0.174 0.000 3.513 216 V HA 0.580 4.699 4.120 -0.001 0.000 0.297 216 V C 0.489 176.617 176.094 0.057 0.000 1.058 216 V CA -0.073 62.266 62.300 0.065 0.000 1.003 216 V CB 1.044 32.916 31.823 0.083 0.000 1.236 216 V HN 0.377 nan 8.190 nan 0.000 0.436 217 D N -0.513 119.912 120.400 0.040 0.000 2.870 217 D HA -0.138 4.501 4.640 -0.001 0.000 0.228 217 D C 0.410 176.729 176.300 0.031 0.000 1.147 217 D CA 1.434 55.465 54.000 0.051 0.000 0.757 217 D CB -1.478 39.378 40.800 0.094 0.000 1.091 217 D HN 1.364 nan 8.370 nan 0.000 0.429 218 T N -2.651 111.868 114.554 -0.059 0.000 2.909 218 T HA 0.407 4.756 4.350 -0.001 0.000 0.289 218 T C 0.196 174.858 174.700 -0.064 0.000 1.005 218 T CA -0.752 61.294 62.100 -0.090 0.000 1.084 218 T CB 2.402 71.069 68.868 -0.334 0.000 0.975 218 T HN 0.060 nan 8.240 nan 0.000 0.509 219 Q N 1.269 121.107 119.800 0.063 0.000 2.260 219 Q HA 0.502 4.842 4.340 -0.001 0.000 0.242 219 Q C -1.239 174.809 176.000 0.081 0.000 0.932 219 Q CA -0.521 55.348 55.803 0.109 0.000 0.891 219 Q CB 1.542 30.422 28.738 0.236 0.000 1.222 219 Q HN 0.684 nan 8.270 nan 0.000 0.453 220 V N 2.160 122.117 119.914 0.072 0.000 2.962 220 V HA 0.554 4.673 4.120 -0.001 0.000 0.313 220 V C -0.867 175.334 176.094 0.178 0.000 1.099 220 V CA -0.736 61.582 62.300 0.031 0.000 0.971 220 V CB 2.556 34.276 31.823 -0.171 0.000 1.028 220 V HN 0.585 nan 8.190 nan 0.000 0.430 221 V N 4.399 124.470 119.914 0.262 0.000 2.524 221 V HA 0.437 4.556 4.120 -0.001 0.000 0.297 221 V C -0.419 175.848 176.094 0.287 0.000 1.035 221 V CA -0.499 61.955 62.300 0.257 0.000 0.867 221 V CB 1.681 33.687 31.823 0.305 0.000 1.004 221 V HN 0.661 nan 8.190 nan 0.000 0.426 222 L N 3.715 125.061 121.223 0.205 0.000 2.426 222 L HA 0.609 4.948 4.340 -0.001 0.000 0.271 222 L C 0.802 177.870 176.870 0.330 0.000 1.169 222 L CA -0.020 54.946 54.840 0.209 0.000 0.836 222 L CB 0.776 42.914 42.059 0.131 0.000 1.112 222 L HN 0.752 nan 8.230 nan 0.000 0.465 223 A N 5.646 128.625 122.820 0.265 0.000 2.341 223 A HA 0.518 4.837 4.320 -0.001 0.000 0.326 223 A C -0.274 177.613 177.584 0.505 0.000 1.402 223 A CA -0.389 51.821 52.037 0.287 0.000 0.957 223 A CB 0.273 19.145 19.000 -0.214 0.000 1.151 223 A HN 0.778 nan 8.150 nan 0.000 0.533 224 M N 6.331 126.256 119.600 0.541 0.000 2.101 224 M HA 0.394 4.873 4.480 -0.001 0.000 0.340 224 M C -2.534 174.019 176.300 0.421 0.000 1.057 224 M CA -2.327 53.233 55.300 0.433 0.000 0.984 224 M CB 2.033 34.817 32.600 0.308 0.000 1.560 224 M HN 0.353 nan 8.290 nan 0.000 0.435 225 P HA 0.135 nan 4.420 nan 0.000 0.275 225 P C -1.892 175.391 177.300 -0.028 0.000 1.227 225 P CA 0.140 63.108 63.100 -0.221 0.000 0.781 225 P CB 0.495 31.930 31.700 -0.441 0.000 0.906 226 Y N 0.489 120.668 120.300 -0.202 0.000 2.346 226 Y HA 0.215 4.764 4.550 -0.001 0.000 0.332 226 Y C 0.107 175.958 175.900 -0.081 0.000 0.985 226 Y CA -0.587 57.462 58.100 -0.085 0.000 1.112 226 Y CB 1.345 39.786 38.460 -0.032 0.000 1.170 226 Y HN 0.229 nan 8.280 nan 0.000 0.447 227 D N 2.703 123.175 120.400 0.121 0.000 2.522 227 D HA 0.139 4.778 4.640 -0.001 0.000 0.218 227 D C -0.097 176.294 176.300 0.152 0.000 1.149 227 D CA 0.056 54.153 54.000 0.161 0.000 0.981 227 D CB 0.405 41.433 40.800 0.381 0.000 1.041 227 D HN 0.369 nan 8.370 nan 0.000 0.518 228 T N 3.405 117.981 114.554 0.037 0.000 2.919 228 T HA 0.285 4.634 4.350 -0.001 0.000 0.302 228 T C -2.186 172.375 174.700 -0.232 0.000 1.031 228 T CA -0.925 61.179 62.100 0.007 0.000 1.127 228 T CB 1.171 70.040 68.868 0.002 0.000 0.952 228 T HN 0.223 nan 8.240 nan 0.000 0.540 229 P HA 0.471 nan 4.420 nan 0.000 0.296 229 P C -1.360 175.730 177.300 -0.350 0.000 1.310 229 P CA -0.736 61.994 63.100 -0.617 0.000 0.900 229 P CB 1.419 32.449 31.700 -1.118 0.000 1.111 230 V N -0.395 119.305 119.914 -0.356 0.000 2.350 230 V HA 0.479 4.598 4.120 -0.001 0.000 0.285 230 V C -2.452 173.515 176.094 -0.211 0.000 1.014 230 V CA -2.950 59.209 62.300 -0.235 0.000 0.831 230 V CB 1.309 33.018 31.823 -0.190 0.000 1.000 230 V HN 0.427 nan 8.190 nan 0.000 0.433 231 P HA 0.264 nan 4.420 nan 0.000 0.271 231 P C 0.406 177.676 177.300 -0.050 0.000 1.218 231 P CA 0.533 63.578 63.100 -0.092 0.000 0.780 231 P CB 1.372 33.034 31.700 -0.063 0.000 0.901 232 G N 1.740 110.525 108.800 -0.025 0.000 2.444 232 G HA2 0.215 4.175 3.960 -0.001 0.000 0.268 232 G HA3 0.215 4.175 3.960 -0.001 0.000 0.268 232 G C -1.165 173.773 174.900 0.065 0.000 1.203 232 G CA -0.376 44.737 45.100 0.021 0.000 0.835 232 G HN 0.437 nan 8.290 nan 0.000 0.543 233 Y N 1.230 121.504 120.300 -0.044 0.000 2.465 233 Y HA 0.194 4.743 4.550 -0.001 0.000 0.331 233 Y C 1.526 177.410 175.900 -0.027 0.000 1.102 233 Y CA -0.236 57.839 58.100 -0.043 0.000 1.358 233 Y CB 0.464 38.894 38.460 -0.050 0.000 1.213 233 Y HN 0.717 nan 8.280 nan 0.000 0.525 234 R N 2.866 123.109 120.500 -0.429 0.000 3.363 234 R HA -0.273 4.066 4.340 -0.001 0.000 0.239 234 R C 0.090 176.287 176.300 -0.172 0.000 0.966 234 R CA 1.246 57.107 56.100 -0.398 0.000 0.651 234 R CB -1.383 28.488 30.300 -0.715 0.000 1.041 234 R HN 0.750 nan 8.270 nan 0.000 0.478 235 N N -0.915 117.740 118.700 -0.076 0.000 2.241 235 N HA 0.028 4.767 4.740 -0.001 0.000 0.238 235 N C -0.367 175.135 175.510 -0.014 0.000 1.244 235 N CA -0.108 52.924 53.050 -0.030 0.000 0.880 235 N CB 0.373 38.865 38.487 0.009 0.000 1.179 235 N HN 0.119 nan 8.380 nan 0.000 0.513 236 N N -0.536 118.150 118.700 -0.025 0.000 2.778 236 N HA -0.163 4.576 4.740 -0.001 0.000 0.249 236 N C -0.561 174.956 175.510 0.012 0.000 1.069 236 N CA 0.981 54.027 53.050 -0.007 0.000 0.831 236 N CB -1.709 36.774 38.487 -0.007 0.000 1.142 236 N HN 0.464 nan 8.380 nan 0.000 0.573 237 V N -0.285 119.639 119.914 0.017 0.000 2.427 237 V HA 0.690 4.809 4.120 -0.001 0.000 0.286 237 V C -0.227 175.862 176.094 -0.007 0.000 1.034 237 V CA -0.544 61.769 62.300 0.021 0.000 0.893 237 V CB 1.949 33.806 31.823 0.056 0.000 0.982 237 V HN -0.084 nan 8.190 nan 0.000 0.452 238 V N 7.674 127.571 119.914 -0.029 0.000 2.524 238 V HA 0.543 4.662 4.120 -0.001 0.000 0.297 238 V C -0.129 175.814 176.094 -0.252 0.000 1.035 238 V CA -0.759 61.468 62.300 -0.122 0.000 0.867 238 V CB 1.778 33.563 31.823 -0.064 0.000 1.004 238 V HN 0.975 nan 8.190 nan 0.000 0.426 239 N N 1.788 120.292 118.700 -0.325 0.000 2.478 239 N HA 0.468 5.207 4.740 -0.001 0.000 0.275 239 N C -0.251 174.904 175.510 -0.592 0.000 1.221 239 N CA -0.410 52.407 53.050 -0.388 0.000 0.979 239 N CB 1.713 40.013 38.487 -0.311 0.000 1.202 239 N HN 0.500 nan 8.380 nan 0.000 0.564 240 T N 1.624 115.883 114.554 -0.492 0.000 2.753 240 T HA 0.324 4.674 4.350 -0.001 0.000 0.297 240 T C 0.549 175.054 174.700 -0.325 0.000 0.981 240 T CA -0.345 61.521 62.100 -0.389 0.000 0.956 240 T CB 0.177 68.998 68.868 -0.079 0.000 0.936 240 T HN 0.171 nan 8.240 nan 0.000 0.463 241 M N 3.222 122.620 119.600 -0.337 0.000 2.233 241 M HA 0.380 4.859 4.480 -0.001 0.000 0.350 241 M C 0.360 176.452 176.300 -0.347 0.000 1.176 241 M CA -0.152 54.928 55.300 -0.365 0.000 1.150 241 M CB 0.713 33.082 32.600 -0.386 0.000 1.530 241 M HN 0.366 nan 8.290 nan 0.000 0.459 242 R N 3.291 123.492 120.500 -0.498 0.000 2.507 242 R HA 0.505 4.844 4.340 -0.001 0.000 0.298 242 R C -2.287 173.713 176.300 -0.500 0.000 1.087 242 R CA -0.413 55.362 56.100 -0.541 0.000 0.917 242 R CB 0.695 30.486 30.300 -0.847 0.000 1.173 242 R HN 0.494 nan 8.270 nan 0.000 0.472 243 L N 4.786 125.802 121.223 -0.346 0.000 2.313 243 L HA 0.570 4.910 4.340 -0.001 0.000 0.283 243 L C -0.821 175.933 176.870 -0.194 0.000 1.013 243 L CA -0.441 54.287 54.840 -0.188 0.000 0.816 243 L CB 1.103 43.115 42.059 -0.079 0.000 1.236 243 L HN 0.561 nan 8.230 nan 0.000 0.419 244 W N 1.968 123.363 121.300 0.157 0.000 2.251 244 W HA 0.609 5.268 4.660 -0.001 0.000 0.329 244 W C 0.606 177.272 176.519 0.246 0.000 1.234 244 W CA -0.131 57.329 57.345 0.192 0.000 1.228 244 W CB 1.149 30.647 29.460 0.063 0.000 1.135 244 W HN 0.397 nan 8.180 nan 0.000 0.576 245 S N 1.034 117.076 115.700 0.570 0.000 2.536 245 S HA 0.751 5.220 4.470 -0.001 0.000 0.287 245 S C -0.774 174.142 174.600 0.526 0.000 1.101 245 S CA -0.761 57.667 58.200 0.380 0.000 0.950 245 S CB 0.879 64.198 63.200 0.197 0.000 1.056 245 S HN 0.509 nan 8.310 nan 0.000 0.481 246 A N 4.180 127.189 122.820 0.315 0.000 2.289 246 A HA 0.586 4.905 4.320 -0.001 0.000 0.298 246 A C -0.265 177.403 177.584 0.141 0.000 1.208 246 A CA -0.381 51.775 52.037 0.198 0.000 0.845 246 A CB 0.308 19.153 19.000 -0.258 0.000 1.125 246 A HN 0.694 nan 8.150 nan 0.000 0.517 247 K N 2.045 122.543 120.400 0.164 0.000 2.307 247 K HA 0.539 4.859 4.320 -0.001 0.000 0.263 247 K C -0.022 176.610 176.600 0.052 0.000 0.973 247 K CA -0.394 55.948 56.287 0.092 0.000 0.846 247 K CB 1.989 34.544 32.500 0.092 0.000 1.100 247 K HN 0.845 nan 8.250 nan 0.000 0.438 248 A N 4.632 127.464 122.820 0.021 0.000 2.483 248 A HA 0.233 4.553 4.320 -0.001 0.000 0.238 248 A C -2.253 175.229 177.584 -0.170 0.000 1.070 248 A CA -0.992 51.047 52.037 0.004 0.000 0.770 248 A CB -0.427 18.624 19.000 0.085 0.000 1.008 248 A HN 0.378 nan 8.150 nan 0.000 0.497 249 P HA 0.036 nan 4.420 nan 0.000 0.260 249 P C -0.636 176.065 177.300 -0.998 0.000 1.185 249 P CA 0.531 63.325 63.100 -0.510 0.000 0.763 249 P CB 0.061 31.517 31.700 -0.408 0.000 0.776 250 N N 2.314 120.704 118.700 -0.516 0.000 3.131 250 N HA 0.096 4.835 4.740 -0.001 0.000 0.312 250 N C -0.124 175.227 175.510 -0.264 0.000 1.433 250 N CA 0.042 52.856 53.050 -0.393 0.000 1.141 250 N CB -0.099 38.286 38.487 -0.170 0.000 1.431 250 N HN 0.259 nan 8.380 nan 0.000 0.523 251 D N -0.466 119.704 120.400 -0.382 0.000 2.369 251 D HA 0.087 4.727 4.640 -0.001 0.000 0.211 251 D C -0.375 176.037 176.300 0.186 0.000 1.077 251 D CA 0.223 54.174 54.000 -0.080 0.000 0.842 251 D CB 0.269 41.069 40.800 0.000 0.000 0.947 251 D HN 0.176 nan 8.370 nan 0.000 0.509 252 F N 1.021 120.983 119.950 0.021 0.000 2.379 252 F HA 0.323 4.849 4.527 -0.001 0.000 0.332 252 F C 1.448 177.263 175.800 0.026 0.000 1.096 252 F CA -1.104 56.910 58.000 0.024 0.000 1.105 252 F CB 0.843 39.855 39.000 0.020 0.000 1.189 252 F HN 0.037 nan 8.300 nan 0.000 0.515 253 N N -0.135 118.708 118.700 0.239 0.000 2.460 253 N HA -0.071 4.668 4.740 -0.001 0.000 0.321 253 N C -0.081 175.494 175.510 0.107 0.000 1.630 253 N CA 0.722 53.850 53.050 0.130 0.000 3.228 253 N CB -0.273 38.278 38.487 0.108 0.000 1.565 253 N HN 0.477 nan 8.380 nan 0.000 1.135 254 L N -1.192 120.112 121.223 0.136 0.000 4.451 254 L HA 0.305 4.644 4.340 -0.001 0.000 0.483 254 L C -1.205 175.771 176.870 0.177 0.000 0.849 254 L CA 0.088 55.017 54.840 0.149 0.000 2.090 254 L CB -0.218 41.959 42.059 0.196 0.000 2.430 254 L HN 0.207 nan 8.230 nan 0.000 0.555 255 K N 1.624 122.122 120.400 0.164 0.000 2.412 255 K HA 0.236 4.555 4.320 -0.001 0.000 0.284 255 K C 0.210 176.885 176.600 0.126 0.000 1.046 255 K CA 1.400 57.753 56.287 0.111 0.000 0.999 255 K CB 0.361 32.910 32.500 0.082 0.000 0.941 255 K HN 0.429 nan 8.250 nan 0.000 0.474 256 D N 4.071 124.516 120.400 0.075 0.000 4.386 256 D HA -0.165 4.475 4.640 -0.001 0.000 0.100 256 D C -0.348 176.055 176.300 0.173 0.000 0.408 256 D CA 0.083 54.132 54.000 0.081 0.000 0.586 256 D CB -0.972 39.885 40.800 0.094 0.000 1.626 256 D HN 0.498 nan 8.370 nan 0.000 0.094 257 F N 0.398 120.362 119.950 0.024 0.000 3.057 257 F HA -0.261 4.265 4.527 -0.001 0.000 0.287 257 F C 1.344 177.145 175.800 0.002 0.000 0.834 257 F CA 1.401 59.409 58.000 0.013 0.000 1.147 257 F CB -2.385 36.623 39.000 0.012 0.000 1.245 257 F HN 0.473 nan 8.300 nan 0.000 0.509 258 N N 0.666 119.462 118.700 0.160 0.000 2.207 258 N HA -0.079 4.661 4.740 -0.001 0.000 0.182 258 N C 1.821 177.339 175.510 0.013 0.000 1.020 258 N CA 1.870 54.954 53.050 0.057 0.000 0.858 258 N CB -1.079 37.410 38.487 0.005 0.000 0.991 258 N HN 0.386 nan 8.380 nan 0.000 0.427 259 V N -1.761 118.155 119.914 0.005 0.000 2.379 259 V HA 0.157 4.276 4.120 -0.001 0.000 0.245 259 V C 2.301 178.400 176.094 0.008 0.000 1.044 259 V CA 1.478 63.771 62.300 -0.012 0.000 1.036 259 V CB -1.717 30.092 31.823 -0.023 0.000 0.664 259 V HN 0.378 nan 8.190 nan 0.000 0.453 260 G N 1.520 110.311 108.800 -0.016 0.000 3.130 260 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.309 260 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.309 260 G C 0.978 175.840 174.900 -0.063 0.000 1.284 260 G CA 1.304 46.342 45.100 -0.103 0.000 1.295 260 G HN 1.685 nan 8.290 nan 0.000 1.019 261 G N -2.115 106.652 108.800 -0.055 0.000 3.161 261 G HA2 0.509 4.468 3.960 -0.001 0.000 0.293 261 G HA3 0.509 4.468 3.960 -0.001 0.000 0.293 261 G C -0.602 174.341 174.900 0.072 0.000 0.893 261 G CA 0.240 45.307 45.100 -0.055 0.000 1.756 261 G HN 0.972 nan 8.290 nan 0.000 0.549 262 Y N -0.292 119.972 120.300 -0.059 0.000 2.744 262 Y HA -0.177 4.372 4.550 -0.001 0.000 0.023 262 Y C 1.128 176.991 175.900 -0.062 0.000 2.040 262 Y CA -1.008 57.060 58.100 -0.054 0.000 1.260 262 Y CB -1.335 37.095 38.460 -0.050 0.000 1.936 262 Y HN 0.489 nan 8.280 nan 0.000 0.277 263 I N 2.796 123.383 120.570 0.029 0.000 2.118 263 I HA -0.418 3.751 4.170 -0.001 0.000 0.241 263 I C 1.864 177.893 176.117 -0.147 0.000 1.070 263 I CA 2.421 63.678 61.300 -0.071 0.000 1.327 263 I CB 0.104 38.066 38.000 -0.063 0.000 1.034 263 I HN 0.841 nan 8.210 nan 0.000 0.405 264 Q N 1.563 121.218 119.800 -0.241 0.000 2.536 264 Q HA -0.285 4.054 4.340 -0.001 0.000 0.220 264 Q C 1.700 177.600 176.000 -0.166 0.000 0.995 264 Q CA 1.862 57.528 55.803 -0.229 0.000 0.942 264 Q CB -1.560 26.982 28.738 -0.327 0.000 0.926 264 Q HN 0.639 nan 8.270 nan 0.000 0.487 265 A N 0.286 123.008 122.820 -0.162 0.000 2.172 265 A HA -0.025 4.295 4.320 -0.001 0.000 0.216 265 A C 2.089 179.555 177.584 -0.197 0.000 1.154 265 A CA 0.865 52.792 52.037 -0.182 0.000 0.701 265 A CB -0.506 18.354 19.000 -0.234 0.000 0.789 265 A HN 0.289 nan 8.150 nan 0.000 0.465 266 V N -0.584 119.233 119.914 -0.161 0.000 2.546 266 V HA -0.249 3.870 4.120 -0.001 0.000 0.254 266 V C 2.341 178.399 176.094 -0.060 0.000 1.076 266 V CA 2.006 64.248 62.300 -0.097 0.000 1.087 266 V CB -0.473 31.305 31.823 -0.076 0.000 0.674 266 V HN 0.656 nan 8.190 nan 0.000 0.470 267 L N -0.024 121.151 121.223 -0.080 0.000 2.376 267 L HA -0.107 4.232 4.340 -0.001 0.000 0.219 267 L C 2.016 178.859 176.870 -0.044 0.000 1.133 267 L CA 1.656 56.460 54.840 -0.059 0.000 0.816 267 L CB -0.294 41.720 42.059 -0.074 0.000 0.933 267 L HN 0.507 nan 8.230 nan 0.000 0.449 268 D N -0.243 120.126 120.400 -0.052 0.000 2.077 268 D HA -0.223 4.416 4.640 -0.001 0.000 0.197 268 D C 2.182 178.504 176.300 0.036 0.000 0.983 268 D CA 1.431 55.421 54.000 -0.016 0.000 0.841 268 D CB -0.026 40.757 40.800 -0.029 0.000 0.992 268 D HN 0.014 nan 8.370 nan 0.000 0.450 269 R N -0.084 120.469 120.500 0.087 0.000 2.190 269 R HA -0.226 4.114 4.340 -0.001 0.000 0.255 269 R C 2.289 178.627 176.300 0.063 0.000 1.143 269 R CA 1.882 58.060 56.100 0.129 0.000 0.965 269 R CB -0.716 29.672 30.300 0.145 0.000 0.889 269 R HN 0.499 nan 8.270 nan 0.000 0.448 270 N N 0.227 118.947 118.700 0.032 0.000 2.220 270 N HA -0.040 4.699 4.740 -0.001 0.000 0.182 270 N C 1.935 177.448 175.510 0.006 0.000 1.023 270 N CA 0.749 53.811 53.050 0.021 0.000 0.856 270 N CB -0.002 38.493 38.487 0.012 0.000 0.997 270 N HN 0.158 nan 8.380 nan 0.000 0.429 271 L N 0.840 122.059 121.223 -0.007 0.000 2.450 271 L HA -0.069 4.270 4.340 -0.001 0.000 0.224 271 L C 2.064 178.900 176.870 -0.056 0.000 1.149 271 L CA 0.268 55.095 54.840 -0.021 0.000 0.816 271 L CB -0.335 41.711 42.059 -0.022 0.000 0.932 271 L HN 0.153 nan 8.230 nan 0.000 0.449 272 A N 0.762 123.550 122.820 -0.053 0.000 2.383 272 A HA -0.094 4.225 4.320 -0.001 0.000 0.225 272 A C 2.086 179.615 177.584 -0.091 0.000 1.946 272 A CA 0.608 52.586 52.037 -0.098 0.000 0.739 272 A CB -0.752 18.231 19.000 -0.029 0.000 1.405 272 A HN 0.341 nan 8.150 nan 0.000 0.548 273 E N 1.482 121.661 120.200 -0.035 0.000 2.233 273 E HA -0.344 4.005 4.350 -0.001 0.000 0.210 273 E C 1.093 177.675 176.600 -0.030 0.000 1.046 273 E CA 2.077 58.461 56.400 -0.027 0.000 0.844 273 E CB -0.862 28.851 29.700 0.022 0.000 0.741 273 E HN 0.817 nan 8.360 nan 0.000 0.465 274 N N -0.023 118.672 118.700 -0.008 0.000 2.413 274 N HA 0.017 4.756 4.740 -0.001 0.000 0.207 274 N C 1.463 176.976 175.510 0.006 0.000 1.206 274 N CA 0.015 53.081 53.050 0.026 0.000 0.832 274 N CB -0.050 38.467 38.487 0.049 0.000 1.037 274 N HN 0.271 nan 8.380 nan 0.000 0.467 275 I N -0.451 120.068 120.570 -0.084 0.000 2.286 275 I HA -0.198 3.971 4.170 -0.001 0.000 0.248 275 I C 1.888 178.001 176.117 -0.007 0.000 1.115 275 I CA 0.970 62.192 61.300 -0.130 0.000 1.392 275 I CB -0.067 37.660 38.000 -0.456 0.000 1.065 275 I HN 0.312 nan 8.210 nan 0.000 0.418 276 S N -0.129 115.572 115.700 0.002 0.000 2.634 276 S HA 0.170 4.639 4.470 -0.001 0.000 0.221 276 S C 1.561 176.289 174.600 0.213 0.000 0.952 276 S CA -0.008 58.275 58.200 0.139 0.000 0.930 276 S CB -0.215 63.023 63.200 0.064 0.000 0.780 276 S HN 0.304 nan 8.310 nan 0.000 0.498 277 R N -0.430 120.183 120.500 0.189 0.000 2.279 277 R HA 0.322 4.662 4.340 -0.001 0.000 0.195 277 R C -0.227 176.232 176.300 0.266 0.000 0.905 277 R CA 0.217 56.472 56.100 0.258 0.000 1.044 277 R CB 0.993 31.513 30.300 0.366 0.000 1.056 277 R HN 0.256 nan 8.270 nan 0.000 0.535 278 V N 1.667 121.569 119.914 -0.020 0.000 2.668 278 V HA 0.357 4.476 4.120 -0.001 0.000 0.304 278 V C -1.222 174.374 176.094 -0.830 0.000 1.071 278 V CA -0.895 61.223 62.300 -0.304 0.000 0.894 278 V CB 2.010 33.692 31.823 -0.235 0.000 1.008 278 V HN 0.049 nan 8.190 nan 0.000 0.425 279 L N 6.246 126.904 121.223 -0.942 0.000 2.379 279 L HA 0.630 4.969 4.340 -0.001 0.000 0.269 279 L C -1.277 175.159 176.870 -0.724 0.000 1.084 279 L CA -0.482 53.740 54.840 -1.031 0.000 0.802 279 L CB 1.562 43.065 42.059 -0.927 0.000 1.175 279 L HN 0.749 nan 8.230 nan 0.000 0.448 280 Y N 3.234 123.458 120.300 -0.127 0.000 2.342 280 Y HA 0.438 4.988 4.550 -0.001 0.000 0.334 280 Y C -1.428 174.465 175.900 -0.011 0.000 1.067 280 Y CA -2.218 55.858 58.100 -0.041 0.000 1.128 280 Y CB 0.275 38.717 38.460 -0.030 0.000 1.200 280 Y HN 0.528 nan 8.280 nan 0.000 0.464 288 G N 4.180 112.899 108.800 -0.135 0.000 2.369 288 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.286 288 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.286 288 G C -0.142 174.798 174.900 0.067 0.000 0.938 288 G CA 1.435 46.535 45.100 -0.001 0.000 1.271 288 G HN 0.437 nan 8.290 nan 0.000 0.488 289 K N -0.568 119.966 120.400 0.223 0.000 2.616 289 K HA 0.332 4.651 4.320 -0.001 0.000 0.255 289 K C 0.811 177.491 176.600 0.134 0.000 0.995 289 K CA -0.449 55.917 56.287 0.131 0.000 0.860 289 K CB 0.988 33.492 32.500 0.007 0.000 1.264 289 K HN 0.120 nan 8.250 nan 0.000 0.451 290 E N 2.898 123.125 120.200 0.044 0.000 2.077 290 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 290 E C 1.147 177.720 176.600 -0.045 0.000 0.989 290 E CA 1.312 57.695 56.400 -0.029 0.000 0.800 290 E CB 0.202 29.912 29.700 0.016 0.000 0.746 290 E HN 0.605 nan 8.360 nan 0.000 0.452 291 L N 0.813 122.038 121.223 0.002 0.000 1.994 291 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 291 L C 2.675 179.598 176.870 0.089 0.000 1.071 291 L CA 1.326 56.192 54.840 0.042 0.000 0.745 291 L CB -0.300 41.819 42.059 0.100 0.000 0.892 291 L HN 0.033 nan 8.230 nan 0.000 0.431 292 R N -0.447 120.096 120.500 0.072 0.000 2.127 292 R HA -0.180 4.159 4.340 -0.001 0.000 0.238 292 R C 2.159 178.536 176.300 0.128 0.000 1.134 292 R CA 1.661 57.857 56.100 0.160 0.000 0.975 292 R CB -0.728 29.649 30.300 0.127 0.000 0.865 292 R HN 0.335 nan 8.270 nan 0.000 0.447 293 L N 0.777 121.923 121.223 -0.129 0.000 2.179 293 L HA -0.014 4.325 4.340 -0.001 0.000 0.208 293 L C 2.203 179.025 176.870 -0.079 0.000 1.096 293 L CA 1.653 56.240 54.840 -0.422 0.000 0.779 293 L CB -0.274 41.096 42.059 -1.147 0.000 0.922 293 L HN -0.075 nan 8.230 nan 0.000 0.443 294 K N -0.904 119.515 120.400 0.030 0.000 2.025 294 K HA -0.183 4.136 4.320 -0.001 0.000 0.207 294 K C 2.188 178.995 176.600 0.345 0.000 1.049 294 K CA 1.652 58.077 56.287 0.230 0.000 0.933 294 K CB -0.085 32.411 32.500 -0.008 0.000 0.714 294 K HN 0.444 nan 8.250 nan 0.000 0.438 295 Q N 0.298 120.239 119.800 0.236 0.000 2.002 295 Q HA -0.263 4.076 4.340 -0.001 0.000 0.204 295 Q C 2.067 178.271 176.000 0.340 0.000 0.988 295 Q CA 2.075 58.058 55.803 0.300 0.000 0.843 295 Q CB -0.087 28.830 28.738 0.298 0.000 0.908 295 Q HN 0.309 nan 8.270 nan 0.000 0.420 296 E N -0.357 119.998 120.200 0.258 0.000 2.065 296 E HA -0.265 4.085 4.350 -0.001 0.000 0.201 296 E C 1.777 178.490 176.600 0.189 0.000 1.016 296 E CA 1.661 58.192 56.400 0.218 0.000 0.818 296 E CB -0.288 29.520 29.700 0.179 0.000 0.749 296 E HN 0.396 nan 8.360 nan 0.000 0.453 297 Y N -0.317 120.034 120.300 0.085 0.000 2.314 297 Y HA -0.135 4.414 4.550 -0.001 0.000 0.293 297 Y C 1.767 177.691 175.900 0.041 0.000 1.129 297 Y CA 1.333 59.436 58.100 0.005 0.000 1.201 297 Y CB -0.517 37.887 38.460 -0.094 0.000 0.999 297 Y HN 0.184 nan 8.280 nan 0.000 0.541 298 F N -0.095 119.802 119.950 -0.088 0.000 2.025 298 F HA -0.266 4.260 4.527 -0.001 0.000 0.297 298 F C 2.576 178.200 175.800 -0.293 0.000 1.132 298 F CA 2.191 60.094 58.000 -0.162 0.000 1.191 298 F CB -1.206 37.864 39.000 0.117 0.000 0.963 298 F HN -0.080 nan 8.300 nan 0.000 0.481 299 V N -0.446 119.396 119.914 -0.120 0.000 2.469 299 V HA -0.222 3.898 4.120 -0.001 0.000 0.251 299 V C 2.203 178.113 176.094 -0.307 0.000 1.064 299 V CA 1.976 64.164 62.300 -0.187 0.000 1.066 299 V CB -0.435 31.468 31.823 0.133 0.000 0.667 299 V HN 0.314 nan 8.190 nan 0.000 0.461 300 V N -0.499 119.250 119.914 -0.276 0.000 2.951 300 V HA 0.067 4.187 4.120 -0.001 0.000 0.255 300 V C 2.397 178.233 176.094 -0.429 0.000 1.088 300 V CA 1.568 63.703 62.300 -0.276 0.000 1.109 300 V CB 0.121 31.868 31.823 -0.127 0.000 0.724 300 V HN 0.644 nan 8.190 nan 0.000 0.471 301 A N -0.342 122.084 122.820 -0.658 0.000 1.861 301 A HA 0.149 4.468 4.320 -0.001 0.000 0.212 301 A C 2.362 179.573 177.584 -0.621 0.000 1.199 301 A CA 1.481 53.132 52.037 -0.644 0.000 0.613 301 A CB -0.799 17.654 19.000 -0.911 0.000 0.846 301 A HN 0.579 nan 8.150 nan 0.000 0.446 302 A N -0.529 121.745 122.820 -0.911 0.000 1.841 302 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 302 A C 2.293 179.353 177.584 -0.873 0.000 1.199 302 A CA 2.541 53.871 52.037 -1.179 0.000 0.621 302 A CB -1.616 16.052 19.000 -2.220 0.000 0.835 302 A HN 0.412 nan 8.150 nan 0.000 0.445 303 T N 0.226 114.310 114.554 -0.783 0.000 2.594 303 T HA -0.239 4.110 4.350 -0.001 0.000 0.266 303 T C 1.711 176.109 174.700 -0.503 0.000 1.070 303 T CA 2.018 63.819 62.100 -0.497 0.000 1.166 303 T CB -0.513 68.085 68.868 -0.451 0.000 0.862 303 T HN 0.213 nan 8.240 nan 0.000 0.436 304 L N 0.732 121.702 121.223 -0.421 0.000 2.362 304 L HA -0.002 4.338 4.340 -0.001 0.000 0.219 304 L C 2.594 179.315 176.870 -0.249 0.000 1.134 304 L CA 1.401 56.043 54.840 -0.330 0.000 0.807 304 L CB -0.538 41.368 42.059 -0.256 0.000 0.927 304 L HN 0.300 nan 8.230 nan 0.000 0.447 305 Q N -1.237 118.420 119.800 -0.238 0.000 2.137 305 Q HA -0.181 4.159 4.340 -0.001 0.000 0.198 305 Q C 1.642 177.593 176.000 -0.081 0.000 0.960 305 Q CA 1.197 56.914 55.803 -0.142 0.000 0.847 305 Q CB 0.108 28.761 28.738 -0.142 0.000 0.915 305 Q HN 0.383 nan 8.270 nan 0.000 0.448 306 D N 0.447 120.803 120.400 -0.074 0.000 2.117 306 D HA -0.092 4.547 4.640 -0.001 0.000 0.198 306 D C 1.687 177.918 176.300 -0.115 0.000 0.982 306 D CA 0.796 54.800 54.000 0.006 0.000 0.828 306 D CB -0.012 40.912 40.800 0.206 0.000 0.967 306 D HN 0.187 nan 8.370 nan 0.000 0.464 307 I N 0.652 121.022 120.570 -0.333 0.000 2.248 307 I HA -0.267 3.902 4.170 -0.001 0.000 0.248 307 I C 2.238 178.306 176.117 -0.081 0.000 1.107 307 I CA 0.802 61.824 61.300 -0.463 0.000 1.373 307 I CB -0.102 37.471 38.000 -0.711 0.000 1.055 307 I HN 0.082 nan 8.210 nan 0.000 0.418 308 I N 0.633 121.215 120.570 0.020 0.000 2.761 308 I HA -0.188 3.981 4.170 -0.001 0.000 0.261 308 I C 2.560 178.780 176.117 0.172 0.000 1.198 308 I CA 0.850 62.274 61.300 0.206 0.000 1.482 308 I CB -0.365 37.720 38.000 0.141 0.000 1.100 308 I HN 0.344 nan 8.210 nan 0.000 0.445 309 R N 0.826 121.370 120.500 0.073 0.000 2.161 309 R HA 0.008 4.347 4.340 -0.001 0.000 0.213 309 R C 2.169 178.503 176.300 0.056 0.000 1.055 309 R CA 0.475 56.612 56.100 0.062 0.000 0.996 309 R CB -0.412 29.900 30.300 0.020 0.000 0.901 309 R HN 0.164 nan 8.270 nan 0.000 0.456 310 R N -0.111 120.422 120.500 0.055 0.000 2.115 310 R HA -0.018 4.321 4.340 -0.001 0.000 0.226 310 R C 1.811 178.152 176.300 0.069 0.000 1.100 310 R CA 1.256 57.400 56.100 0.072 0.000 0.980 310 R CB -0.293 30.059 30.300 0.086 0.000 0.875 310 R HN 0.195 nan 8.270 nan 0.000 0.445 311 F N 1.866 121.777 119.950 -0.065 0.000 2.134 311 F HA -0.163 4.364 4.527 -0.001 0.000 0.299 311 F C 1.334 177.037 175.800 -0.161 0.000 1.097 311 F CA 1.516 59.385 58.000 -0.217 0.000 1.264 311 F CB 0.099 38.985 39.000 -0.190 0.000 1.001 311 F HN -0.169 nan 8.300 nan 0.000 0.479 312 K N -0.590 119.743 120.400 -0.112 0.000 2.311 312 K HA 0.005 4.324 4.320 -0.001 0.000 0.206 312 K C 2.085 178.683 176.600 -0.003 0.000 1.056 312 K CA 0.711 56.930 56.287 -0.114 0.000 1.051 312 K CB -1.179 31.359 32.500 0.063 0.000 1.299 312 K HN 0.008 nan 8.250 nan 0.000 0.461 313 S N 1.025 116.751 115.700 0.043 0.000 2.426 313 S HA -0.235 4.234 4.470 -0.001 0.000 0.259 313 S C 1.236 175.894 174.600 0.096 0.000 1.096 313 S CA 1.904 60.137 58.200 0.054 0.000 1.219 313 S CB -0.509 62.711 63.200 0.033 0.000 1.124 313 S HN 0.367 nan 8.310 nan 0.000 0.436 314 S N 0.249 116.020 115.700 0.119 0.000 3.530 314 S HA 0.374 4.843 4.470 -0.001 0.000 0.279 314 S C 0.322 175.124 174.600 0.337 0.000 1.280 314 S CA 0.638 58.987 58.200 0.249 0.000 0.946 314 S CB -0.415 62.900 63.200 0.192 0.000 1.501 314 S HN 0.570 nan 8.310 nan 0.000 0.498 315 K N 2.641 123.279 120.400 0.397 0.000 2.822 315 K HA -0.159 4.160 4.320 -0.001 0.000 0.435 315 K C 0.173 176.851 176.600 0.131 0.000 0.376 315 K CA 1.518 57.932 56.287 0.213 0.000 1.927 315 K CB -1.932 30.537 32.500 -0.051 0.000 0.613 315 K HN 0.462 nan 8.250 nan 0.000 0.386 316 F N 1.769 121.605 119.950 -0.191 0.000 2.811 316 F HA 0.334 4.860 4.527 -0.001 0.000 0.301 316 F C 2.111 177.801 175.800 -0.184 0.000 1.151 316 F CA 0.876 58.707 58.000 -0.283 0.000 1.412 316 F CB -0.377 38.252 39.000 -0.619 0.000 1.113 316 F HN 0.373 nan 8.300 nan 0.000 0.579 317 G N 0.437 109.281 108.800 0.073 0.000 2.513 317 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.219 317 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.219 317 G C 1.755 176.667 174.900 0.020 0.000 1.160 317 G CA 1.642 46.770 45.100 0.046 0.000 0.767 317 G HN 0.509 nan 8.290 nan 0.000 0.571 318 C N -0.699 118.608 119.300 0.011 0.000 3.529 318 C HA 0.431 4.890 4.460 -0.001 0.000 0.288 318 C C 1.586 176.526 174.990 -0.083 0.000 1.353 318 C CA -0.546 58.458 59.018 -0.023 0.000 1.705 318 C CB -0.972 26.760 27.740 -0.014 0.000 2.156 318 C HN 0.314 nan 8.230 nan 0.000 0.555 319 R N 2.294 122.686 120.500 -0.180 0.000 2.486 319 R HA 0.016 4.355 4.340 -0.001 0.000 0.303 319 R C -0.070 176.031 176.300 -0.332 0.000 0.958 319 R CA 0.829 56.729 56.100 -0.333 0.000 1.077 319 R CB 0.134 30.071 30.300 -0.605 0.000 0.921 319 R HN 0.605 nan 8.270 nan 0.000 0.406 320 D N 5.081 125.358 120.400 -0.204 0.000 2.584 320 D HA 0.122 4.761 4.640 -0.001 0.000 0.254 320 D C -1.465 174.772 176.300 -0.105 0.000 1.085 320 D CA 0.280 54.211 54.000 -0.114 0.000 0.971 320 D CB -0.609 40.157 40.800 -0.058 0.000 1.103 320 D HN 0.406 nan 8.370 nan 0.000 0.453 321 P HA -0.289 nan 4.420 nan 0.000 0.272 321 P C 0.264 177.561 177.300 -0.006 0.000 0.984 321 P CA 0.929 64.005 63.100 -0.040 0.000 1.121 321 P CB -0.372 31.306 31.700 -0.036 0.000 0.831 322 V N 2.907 122.833 119.914 0.020 0.000 3.070 322 V HA -0.267 3.853 4.120 -0.001 0.000 0.204 322 V C 1.230 177.346 176.094 0.035 0.000 1.215 322 V CA 1.527 63.849 62.300 0.036 0.000 1.295 322 V CB -2.284 29.572 31.823 0.056 0.000 1.105 322 V HN 0.525 nan 8.190 nan 0.000 0.524 323 R N 2.261 122.777 120.500 0.026 0.000 3.118 323 R HA -0.250 4.089 4.340 -0.001 0.000 0.238 323 R C 0.317 176.629 176.300 0.020 0.000 0.884 323 R CA 1.172 57.289 56.100 0.029 0.000 0.601 323 R CB -3.273 27.056 30.300 0.050 0.000 1.009 323 R HN 0.887 nan 8.270 nan 0.000 0.478 324 T N -0.183 114.374 114.554 0.006 0.000 3.473 324 T HA -0.226 4.123 4.350 -0.001 0.000 0.403 324 T C 0.307 174.912 174.700 -0.159 0.000 0.768 324 T CA 1.294 63.395 62.100 0.002 0.000 2.009 324 T CB -0.887 67.979 68.868 -0.003 0.000 1.715 324 T HN 0.703 nan 8.240 nan 0.000 0.666 325 N N -0.483 118.165 118.700 -0.087 0.000 2.413 325 N HA 0.305 5.045 4.740 -0.001 0.000 0.266 325 N C 0.826 176.151 175.510 -0.310 0.000 1.238 325 N CA -0.414 52.521 53.050 -0.191 0.000 0.972 325 N CB 0.352 38.879 38.487 0.067 0.000 1.210 325 N HN 0.278 nan 8.380 nan 0.000 0.547 326 F N 0.240 120.277 119.950 0.146 0.000 2.773 326 F HA 0.124 4.651 4.527 -0.001 0.000 0.304 326 F C 1.507 177.328 175.800 0.035 0.000 1.129 326 F CA -0.231 57.777 58.000 0.013 0.000 1.378 326 F CB 0.009 38.879 39.000 -0.217 0.000 1.095 326 F HN 0.456 nan 8.300 nan 0.000 0.565 327 D N 0.927 121.405 120.400 0.131 0.000 2.158 327 D HA -0.199 4.441 4.640 -0.001 0.000 0.197 327 D C 2.128 178.501 176.300 0.121 0.000 0.995 327 D CA 1.555 55.623 54.000 0.113 0.000 0.846 327 D CB -0.003 40.860 40.800 0.105 0.000 0.941 327 D HN 0.255 nan 8.370 nan 0.000 0.456 328 A N -1.309 121.622 122.820 0.184 0.000 2.387 328 A HA 0.159 4.478 4.320 -0.001 0.000 0.234 328 A C 1.394 179.004 177.584 0.044 0.000 1.253 328 A CA -0.401 51.766 52.037 0.217 0.000 0.894 328 A CB -0.517 18.759 19.000 0.459 0.000 0.963 328 A HN 0.186 nan 8.150 nan 0.000 0.508 329 F N 2.311 122.025 119.950 -0.394 0.000 2.051 329 F HA -0.070 4.456 4.527 -0.001 0.000 0.296 329 F C -0.633 174.956 175.800 -0.350 0.000 1.122 329 F CA 2.375 59.885 58.000 -0.817 0.000 1.201 329 F CB -0.479 38.196 39.000 -0.542 0.000 0.978 329 F HN 0.195 nan 8.300 nan 0.000 0.472 330 P HA -0.098 nan 4.420 nan 0.000 0.226 330 P C 0.783 178.057 177.300 -0.043 0.000 1.153 330 P CA 1.459 64.558 63.100 -0.001 0.000 0.777 330 P CB -0.161 31.575 31.700 0.060 0.000 0.794 331 D N 0.181 120.560 120.400 -0.036 0.000 2.149 331 D HA -0.102 4.538 4.640 -0.001 0.000 0.201 331 D C 1.684 177.963 176.300 -0.035 0.000 0.972 331 D CA 1.278 55.275 54.000 -0.005 0.000 0.835 331 D CB -0.068 40.762 40.800 0.050 0.000 0.966 331 D HN 0.224 nan 8.370 nan 0.000 0.476 332 K N -0.382 119.959 120.400 -0.097 0.000 2.352 332 K HA 0.138 4.457 4.320 -0.001 0.000 0.194 332 K C -0.083 176.385 176.600 -0.219 0.000 1.038 332 K CA 0.116 56.334 56.287 -0.115 0.000 1.023 332 K CB 1.175 33.657 32.500 -0.030 0.000 0.840 332 K HN -0.113 nan 8.250 nan 0.000 0.519 333 V N 0.193 119.901 119.914 -0.344 0.000 2.876 333 V HA 0.757 4.876 4.120 -0.001 0.000 0.312 333 V C -1.291 174.700 176.094 -0.172 0.000 1.085 333 V CA -1.282 60.823 62.300 -0.324 0.000 0.945 333 V CB 1.869 33.206 31.823 -0.810 0.000 1.017 333 V HN -0.001 nan 8.190 nan 0.000 0.428 334 A N 4.314 127.083 122.820 -0.084 0.000 2.476 334 A HA 0.787 5.106 4.320 -0.001 0.000 0.280 334 A C -1.074 176.520 177.584 0.016 0.000 1.081 334 A CA -0.323 51.698 52.037 -0.027 0.000 0.753 334 A CB 0.775 19.731 19.000 -0.074 0.000 1.248 334 A HN 0.750 nan 8.150 nan 0.000 0.424 335 I N 2.280 122.906 120.570 0.093 0.000 2.301 335 I HA 0.219 4.388 4.170 -0.001 0.000 0.292 335 I C 0.355 176.560 176.117 0.146 0.000 1.046 335 I CA 0.048 61.422 61.300 0.124 0.000 1.282 335 I CB 1.345 39.385 38.000 0.067 0.000 1.409 335 I HN 0.632 nan 8.210 nan 0.000 0.484 336 Q N 6.623 126.557 119.800 0.222 0.000 2.509 336 Q HA 0.266 4.605 4.340 -0.001 0.000 0.236 336 Q C -1.092 175.026 176.000 0.196 0.000 1.073 336 Q CA -1.143 54.852 55.803 0.320 0.000 0.867 336 Q CB 1.157 30.263 28.738 0.613 0.000 1.181 336 Q HN 0.450 nan 8.270 nan 0.000 0.526 337 L N 3.346 124.652 121.223 0.138 0.000 2.638 337 L HA 0.017 4.356 4.340 -0.001 0.000 0.273 337 L C 0.539 177.451 176.870 0.071 0.000 1.147 337 L CA 0.472 55.362 54.840 0.083 0.000 0.941 337 L CB -1.209 40.921 42.059 0.118 0.000 1.251 337 L HN 0.395 nan 8.230 nan 0.000 0.479 338 N N 4.296 122.923 118.700 -0.122 0.000 2.420 338 N HA 0.080 4.819 4.740 -0.001 0.000 0.262 338 N C 0.205 175.676 175.510 -0.066 0.000 1.144 338 N CA 0.453 53.431 53.050 -0.119 0.000 0.952 338 N CB 0.191 38.428 38.487 -0.417 0.000 1.081 338 N HN 0.588 nan 8.380 nan 0.000 0.480 339 D N 0.686 121.143 120.400 0.094 0.000 4.160 339 D HA -0.208 4.431 4.640 -0.001 0.000 0.291 339 D C 0.181 176.566 176.300 0.142 0.000 2.226 339 D CA 1.587 55.630 54.000 0.071 0.000 1.157 339 D CB -0.502 40.073 40.800 -0.374 0.000 1.020 339 D HN 0.594 nan 8.370 nan 0.000 1.219 340 T N -1.957 112.654 114.554 0.095 0.000 3.100 340 T HA 0.073 4.423 4.350 -0.001 0.000 0.253 340 T C 1.521 176.339 174.700 0.197 0.000 1.118 340 T CA 1.392 63.587 62.100 0.158 0.000 1.058 340 T CB -0.414 68.572 68.868 0.196 0.000 0.953 340 T HN 0.464 nan 8.240 nan 0.000 0.515 341 H N 1.981 121.139 119.070 0.147 0.000 2.363 341 H HA 0.064 4.619 4.556 -0.001 0.000 0.301 341 H C -0.648 174.755 175.328 0.125 0.000 1.074 341 H CA 0.152 56.292 56.048 0.153 0.000 1.354 341 H CB -1.551 28.292 29.762 0.136 0.000 1.397 341 H HN 0.333 nan 8.280 nan 0.000 0.516 342 P HA -0.138 nan 4.420 nan 0.000 0.234 342 P C 1.298 178.636 177.300 0.064 0.000 1.162 342 P CA 1.342 64.498 63.100 0.093 0.000 0.759 342 P CB -0.087 31.644 31.700 0.052 0.000 0.813 343 S N -0.604 115.136 115.700 0.067 0.000 2.420 343 S HA -0.165 4.305 4.470 -0.001 0.000 0.237 343 S C 1.728 176.343 174.600 0.025 0.000 1.023 343 S CA 0.978 59.186 58.200 0.014 0.000 0.991 343 S CB -1.488 61.720 63.200 0.013 0.000 0.792 343 S HN 0.183 nan 8.310 nan 0.000 0.488 344 L N 1.060 122.323 121.223 0.066 0.000 2.633 344 L HA 0.044 4.384 4.340 -0.001 0.000 0.235 344 L C 2.795 179.700 176.870 0.058 0.000 1.163 344 L CA 0.696 55.590 54.840 0.089 0.000 0.859 344 L CB -0.993 41.171 42.059 0.175 0.000 0.973 344 L HN 0.494 nan 8.230 nan 0.000 0.451 345 A N 0.373 123.199 122.820 0.008 0.000 2.070 345 A HA -0.153 4.166 4.320 -0.001 0.000 0.220 345 A C 2.116 179.666 177.584 -0.056 0.000 1.159 345 A CA 1.265 53.279 52.037 -0.038 0.000 0.656 345 A CB -0.278 18.698 19.000 -0.039 0.000 0.800 345 A HN 0.420 nan 8.150 nan 0.000 0.453 346 I N -0.047 120.503 120.570 -0.033 0.000 2.429 346 I HA -0.053 4.117 4.170 -0.001 0.000 0.247 346 I C -0.402 175.707 176.117 -0.013 0.000 1.099 346 I CA 0.678 61.974 61.300 -0.007 0.000 1.422 346 I CB -0.885 37.147 38.000 0.053 0.000 1.112 346 I HN 0.185 nan 8.210 nan 0.000 0.430 347 P HA -0.164 nan 4.420 nan 0.000 0.219 347 P C 1.266 178.346 177.300 -0.366 0.000 1.150 347 P CA 1.578 64.573 63.100 -0.176 0.000 0.814 347 P CB 0.181 31.790 31.700 -0.151 0.000 0.787 348 E N 0.276 120.347 120.200 -0.216 0.000 2.033 348 E HA -0.107 4.242 4.350 -0.001 0.000 0.189 348 E C 2.019 178.506 176.600 -0.189 0.000 0.979 348 E CA 0.470 56.769 56.400 -0.167 0.000 0.802 348 E CB -1.332 28.428 29.700 0.099 0.000 0.763 348 E HN -0.067 nan 8.360 nan 0.000 0.449 349 L N 0.352 121.464 121.223 -0.185 0.000 1.997 349 L HA -0.213 4.126 4.340 -0.001 0.000 0.216 349 L C 2.223 178.907 176.870 -0.310 0.000 1.074 349 L CA 2.083 56.767 54.840 -0.261 0.000 0.763 349 L CB -0.701 41.207 42.059 -0.253 0.000 0.890 349 L HN 0.269 nan 8.230 nan 0.000 0.434 350 M N -1.064 118.382 119.600 -0.257 0.000 2.106 350 M HA -0.240 4.239 4.480 -0.001 0.000 0.259 350 M C 2.409 178.540 176.300 -0.282 0.000 1.068 350 M CA 1.552 56.680 55.300 -0.287 0.000 1.100 350 M CB -1.250 31.225 32.600 -0.209 0.000 1.351 350 M HN 0.351 nan 8.290 nan 0.000 0.404 351 R N 0.118 120.463 120.500 -0.258 0.000 2.081 351 R HA -0.103 4.236 4.340 -0.001 0.000 0.235 351 R C 2.012 178.213 176.300 -0.165 0.000 1.131 351 R CA 1.360 57.339 56.100 -0.202 0.000 0.960 351 R CB -0.370 29.777 30.300 -0.255 0.000 0.856 351 R HN 0.279 nan 8.270 nan 0.000 0.436 352 V N 1.218 121.011 119.914 -0.202 0.000 2.453 352 V HA -0.186 3.934 4.120 -0.001 0.000 0.247 352 V C 2.433 178.358 176.094 -0.282 0.000 1.048 352 V CA 1.240 63.416 62.300 -0.206 0.000 1.049 352 V CB -0.322 31.369 31.823 -0.220 0.000 0.672 352 V HN 0.241 nan 8.190 nan 0.000 0.457 353 L N -0.529 120.457 121.223 -0.395 0.000 2.027 353 L HA -0.100 4.239 4.340 -0.001 0.000 0.206 353 L C 2.455 179.153 176.870 -0.287 0.000 1.074 353 L CA 1.071 55.624 54.840 -0.477 0.000 0.745 353 L CB -0.725 40.975 42.059 -0.598 0.000 0.898 353 L HN 0.177 nan 8.230 nan 0.000 0.433 354 V N -0.381 119.388 119.914 -0.242 0.000 2.283 354 V HA -0.234 3.885 4.120 -0.001 0.000 0.243 354 V C 1.967 178.012 176.094 -0.081 0.000 1.039 354 V CA 1.910 64.121 62.300 -0.147 0.000 1.016 354 V CB -0.392 31.343 31.823 -0.148 0.000 0.650 354 V HN 0.365 nan 8.190 nan 0.000 0.449 355 D N -0.432 119.916 120.400 -0.086 0.000 2.201 355 D HA 0.055 4.695 4.640 -0.001 0.000 0.209 355 D C 2.080 178.355 176.300 -0.042 0.000 0.961 355 D CA 0.931 54.903 54.000 -0.047 0.000 0.861 355 D CB 0.047 40.826 40.800 -0.035 0.000 0.997 355 D HN 0.287 nan 8.370 nan 0.000 0.486 356 L N 0.490 121.673 121.223 -0.067 0.000 2.168 356 L HA 0.017 4.357 4.340 -0.001 0.000 0.203 356 L C 2.087 178.939 176.870 -0.031 0.000 1.078 356 L CA 0.656 55.467 54.840 -0.049 0.000 0.780 356 L CB -0.029 41.990 42.059 -0.066 0.000 0.939 356 L HN -0.092 nan 8.230 nan 0.000 0.451 357 E N 0.640 120.807 120.200 -0.054 0.000 2.110 357 E HA 0.033 4.382 4.350 -0.001 0.000 0.220 357 E C 0.436 177.039 176.600 0.005 0.000 0.893 357 E CA 0.420 56.821 56.400 0.001 0.000 1.027 357 E CB 0.120 29.814 29.700 -0.010 0.000 1.017 357 E HN 0.046 nan 8.360 nan 0.000 0.522 358 R N -0.471 120.025 120.500 -0.006 0.000 2.535 358 R HA 0.135 4.474 4.340 -0.001 0.000 0.078 358 R C -1.195 175.111 176.300 0.010 0.000 0.595 358 R CA 0.043 56.146 56.100 0.005 0.000 0.757 358 R CB -0.953 29.364 30.300 0.029 0.000 0.929 358 R HN 0.055 nan 8.270 nan 0.000 0.611 359 L N 0.944 122.151 121.223 -0.027 0.000 2.397 359 L HA 0.324 4.663 4.340 -0.001 0.000 0.271 359 L C 0.339 177.199 176.870 -0.017 0.000 1.148 359 L CA -0.397 54.430 54.840 -0.021 0.000 0.825 359 L CB 0.465 42.475 42.059 -0.082 0.000 1.117 359 L HN 0.151 nan 8.230 nan 0.000 0.456 360 D N 1.003 121.418 120.400 0.024 0.000 2.548 360 D HA -0.153 4.486 4.640 -0.001 0.000 0.231 360 D C 0.517 176.848 176.300 0.052 0.000 1.142 360 D CA 0.312 54.352 54.000 0.066 0.000 0.866 360 D CB 0.549 41.399 40.800 0.083 0.000 1.190 360 D HN 0.467 nan 8.370 nan 0.000 0.469 361 W N 1.550 122.875 121.300 0.040 0.000 2.338 361 W HA -0.191 4.469 4.660 -0.001 0.000 0.304 361 W C 1.499 178.084 176.519 0.109 0.000 1.212 361 W CA 1.593 58.968 57.345 0.051 0.000 1.264 361 W CB -0.008 29.467 29.460 0.024 0.000 1.142 361 W HN 0.515 nan 8.180 nan 0.000 0.512 362 D N -0.392 120.205 120.400 0.329 0.000 2.077 362 D HA -0.240 4.399 4.640 -0.001 0.000 0.196 362 D C 1.937 178.327 176.300 0.151 0.000 0.986 362 D CA 1.879 56.055 54.000 0.293 0.000 0.829 362 D CB -0.516 40.425 40.800 0.236 0.000 0.983 362 D HN -0.061 nan 8.370 nan 0.000 0.453 363 K N 1.249 121.698 120.400 0.082 0.000 2.057 363 K HA -0.051 4.268 4.320 -0.001 0.000 0.207 363 K C 1.799 178.375 176.600 -0.039 0.000 1.049 363 K CA 1.629 57.936 56.287 0.033 0.000 0.931 363 K CB -0.599 31.924 32.500 0.038 0.000 0.714 363 K HN 0.087 nan 8.250 nan 0.000 0.440 364 A N 0.418 123.171 122.820 -0.112 0.000 1.902 364 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 364 A C 2.225 179.649 177.584 -0.266 0.000 1.181 364 A CA 1.364 53.259 52.037 -0.236 0.000 0.623 364 A CB -1.259 17.543 19.000 -0.330 0.000 0.818 364 A HN 0.700 nan 8.150 nan 0.000 0.443 365 W N 1.198 122.248 121.300 -0.417 0.000 2.468 365 W HA -0.133 4.526 4.660 -0.001 0.000 0.262 365 W C 1.842 178.284 176.519 -0.129 0.000 1.241 365 W CA 1.615 58.761 57.345 -0.332 0.000 1.232 365 W CB 0.026 29.282 29.460 -0.339 0.000 1.124 365 W HN 0.684 nan 8.180 nan 0.000 0.597 366 E N 0.393 120.507 120.200 -0.144 0.000 2.012 366 E HA -0.238 4.111 4.350 -0.001 0.000 0.197 366 E C 1.908 178.388 176.600 -0.200 0.000 1.007 366 E CA 2.446 58.772 56.400 -0.123 0.000 0.816 366 E CB -0.553 29.128 29.700 -0.031 0.000 0.762 366 E HN 0.083 nan 8.360 nan 0.000 0.451 367 V N 1.164 120.967 119.914 -0.186 0.000 2.270 367 V HA -0.247 3.872 4.120 -0.001 0.000 0.245 367 V C 2.569 178.522 176.094 -0.235 0.000 1.043 367 V CA 2.189 64.398 62.300 -0.151 0.000 1.014 367 V CB -1.197 30.532 31.823 -0.156 0.000 0.645 367 V HN 0.378 nan 8.190 nan 0.000 0.447 368 T N 0.318 114.638 114.554 -0.390 0.000 2.602 368 T HA -0.325 4.025 4.350 -0.001 0.000 0.264 368 T C 1.904 176.328 174.700 -0.459 0.000 1.085 368 T CA 2.336 64.156 62.100 -0.468 0.000 1.164 368 T CB -0.685 67.760 68.868 -0.704 0.000 0.860 368 T HN 0.340 nan 8.240 nan 0.000 0.442 369 V N 1.025 120.558 119.914 -0.635 0.000 2.515 369 V HA -0.091 4.028 4.120 -0.001 0.000 0.250 369 V C 2.293 178.339 176.094 -0.081 0.000 1.058 369 V CA 1.750 63.809 62.300 -0.403 0.000 1.064 369 V CB -0.457 31.091 31.823 -0.458 0.000 0.675 369 V HN 0.425 nan 8.190 nan 0.000 0.461 370 K N -0.551 119.817 120.400 -0.052 0.000 2.217 370 K HA -0.078 4.241 4.320 -0.001 0.000 0.202 370 K C 1.965 178.690 176.600 0.208 0.000 1.051 370 K CA 1.733 58.078 56.287 0.097 0.000 0.952 370 K CB -0.146 32.353 32.500 -0.001 0.000 0.736 370 K HN 0.571 nan 8.250 nan 0.000 0.453 371 T N 0.010 114.628 114.554 0.106 0.000 3.009 371 T HA 0.020 4.369 4.350 -0.001 0.000 0.258 371 T C 1.036 175.786 174.700 0.082 0.000 1.063 371 T CA 0.350 62.525 62.100 0.126 0.000 1.139 371 T CB 0.070 69.049 68.868 0.187 0.000 0.890 371 T HN 0.125 nan 8.240 nan 0.000 0.471 372 C N 1.561 120.861 119.300 0.000 0.000 2.399 372 C HA 0.950 5.409 4.460 -0.001 0.000 0.348 372 C C 0.528 175.406 174.990 -0.186 0.000 1.183 372 C CA -1.005 57.980 59.018 -0.054 0.000 2.023 372 C CB 0.862 28.557 27.740 -0.075 0.000 2.361 372 C HN 0.637 nan 8.230 nan 0.000 0.521 373 A N 0.887 123.636 122.820 -0.118 0.000 2.599 373 A HA 0.824 5.143 4.320 -0.001 0.000 0.290 373 A C -1.839 175.795 177.584 0.083 0.000 1.101 373 A CA -0.417 51.532 52.037 -0.147 0.000 0.674 373 A CB 1.226 20.086 19.000 -0.233 0.000 1.277 373 A HN 1.322 nan 8.150 nan 0.000 0.419 374 Y N 0.356 120.614 120.300 -0.069 0.000 2.307 374 Y HA 0.592 5.141 4.550 -0.001 0.000 0.323 374 Y C -0.605 175.304 175.900 0.015 0.000 1.100 374 Y CA -0.313 57.773 58.100 -0.023 0.000 1.140 374 Y CB 1.342 39.751 38.460 -0.086 0.000 1.159 374 Y HN 0.580 nan 8.280 nan 0.000 0.436 375 T N 5.805 120.325 114.554 -0.058 0.000 2.799 375 T HA 0.089 4.439 4.350 -0.001 0.000 0.296 375 T C -0.290 174.172 174.700 -0.397 0.000 0.947 375 T CA 0.262 62.279 62.100 -0.137 0.000 1.141 375 T CB -0.259 68.706 68.868 0.161 0.000 0.891 375 T HN 0.682 nan 8.240 nan 0.000 0.533 376 N N 1.417 119.821 118.700 -0.494 0.000 2.426 376 N HA 0.264 5.003 4.740 -0.001 0.000 0.275 376 N C 0.233 175.695 175.510 -0.079 0.000 1.019 376 N CA -0.467 52.401 53.050 -0.303 0.000 0.941 376 N CB 0.705 39.090 38.487 -0.171 0.000 1.123 376 N HN 0.568 nan 8.380 nan 0.000 0.486 377 H N -0.294 118.873 119.070 0.161 0.000 2.652 377 H HA 0.181 4.736 4.556 -0.001 0.000 0.274 377 H C -0.192 175.202 175.328 0.110 0.000 1.021 377 H CA 0.093 56.248 56.048 0.179 0.000 1.187 377 H CB 0.590 30.405 29.762 0.087 0.000 1.505 377 H HN 0.507 nan 8.280 nan 0.000 0.530 378 T N -2.366 112.319 114.554 0.219 0.000 2.829 378 T HA 0.241 4.590 4.350 -0.001 0.000 0.280 378 T C 0.891 175.602 174.700 0.018 0.000 0.999 378 T CA -0.741 61.404 62.100 0.074 0.000 0.983 378 T CB 2.047 70.977 68.868 0.103 0.000 0.968 378 T HN -0.020 nan 8.240 nan 0.000 0.446 379 V N 2.749 122.592 119.914 -0.119 0.000 3.306 379 V HA 0.225 4.344 4.120 -0.001 0.000 0.264 379 V C 0.340 176.419 176.094 -0.025 0.000 1.149 379 V CA 0.421 62.660 62.300 -0.102 0.000 1.143 379 V CB -0.697 31.036 31.823 -0.150 0.000 0.767 379 V HN 0.773 nan 8.190 nan 0.000 0.476 380 I N 1.757 122.319 120.570 -0.013 0.000 2.392 380 I HA 0.392 4.561 4.170 -0.001 0.000 0.295 380 I C -1.486 174.621 176.117 -0.016 0.000 0.985 380 I CA -2.228 59.064 61.300 -0.013 0.000 1.221 380 I CB 0.858 38.849 38.000 -0.015 0.000 1.366 380 I HN 0.019 nan 8.210 nan 0.000 0.467 381 P HA -0.009 nan 4.420 nan 0.000 0.230 381 P C 0.768 178.053 177.300 -0.025 0.000 1.168 381 P CA 0.878 63.952 63.100 -0.043 0.000 0.793 381 P CB 0.501 32.165 31.700 -0.059 0.000 0.851 382 E N 1.245 121.430 120.200 -0.025 0.000 2.112 382 E HA 0.070 4.420 4.350 -0.001 0.000 0.190 382 E C 1.256 177.834 176.600 -0.036 0.000 0.979 382 E CA 0.555 56.937 56.400 -0.030 0.000 0.814 382 E CB -0.872 28.811 29.700 -0.028 0.000 0.762 382 E HN 0.079 nan 8.360 nan 0.000 0.460 383 A N 1.512 124.316 122.820 -0.028 0.000 2.923 383 A HA 0.493 4.813 4.320 -0.001 0.000 0.306 383 A C -0.689 176.896 177.584 0.003 0.000 1.542 383 A CA -0.326 51.694 52.037 -0.028 0.000 1.225 383 A CB -0.397 18.586 19.000 -0.028 0.000 1.147 383 A HN 0.211 nan 8.150 nan 0.000 0.542 384 L N 0.857 122.077 121.223 -0.005 0.000 2.596 384 L HA 0.310 4.650 4.340 -0.001 0.000 0.265 384 L C -0.206 176.656 176.870 -0.015 0.000 0.962 384 L CA -0.156 54.710 54.840 0.044 0.000 0.891 384 L CB 1.675 43.773 42.059 0.065 0.000 1.248 384 L HN 0.669 nan 8.230 nan 0.000 0.410 385 E N 3.799 123.994 120.200 -0.007 0.000 2.765 385 E HA 0.090 4.439 4.350 -0.001 0.000 0.256 385 E C -0.760 175.755 176.600 -0.141 0.000 0.935 385 E CA 0.724 57.059 56.400 -0.108 0.000 0.954 385 E CB 0.460 30.166 29.700 0.010 0.000 0.908 385 E HN 0.501 nan 8.360 nan 0.000 0.500 386 R N 3.019 123.334 120.500 -0.309 0.000 2.740 386 R HA 0.473 4.812 4.340 -0.001 0.000 0.273 386 R C -1.575 174.424 176.300 -0.501 0.000 0.998 386 R CA -0.645 55.307 56.100 -0.246 0.000 0.900 386 R CB 1.291 31.491 30.300 -0.167 0.000 1.223 386 R HN 0.444 nan 8.270 nan 0.000 0.466 387 W N 1.529 122.799 121.300 -0.050 0.000 2.819 387 W HA 0.436 5.095 4.660 -0.001 0.000 0.337 387 W C -2.208 174.262 176.519 -0.082 0.000 1.077 387 W CA -2.228 55.076 57.345 -0.069 0.000 1.226 387 W CB 1.885 31.301 29.460 -0.073 0.000 1.419 387 W HN 0.303 nan 8.180 nan 0.000 0.502 388 P HA -0.115 nan 4.420 nan 0.000 0.260 388 P C 0.926 178.233 177.300 0.012 0.000 1.185 388 P CA 0.420 63.539 63.100 0.031 0.000 0.763 388 P CB 0.494 32.093 31.700 -0.168 0.000 0.776 389 V N 2.530 122.479 119.914 0.059 0.000 2.453 389 V HA -0.307 3.812 4.120 -0.001 0.000 0.252 389 V C 1.823 177.969 176.094 0.087 0.000 1.068 389 V CA 2.295 64.634 62.300 0.064 0.000 1.070 389 V CB -2.031 29.869 31.823 0.129 0.000 0.664 389 V HN 0.665 nan 8.190 nan 0.000 0.461 390 H N -0.855 118.257 119.070 0.071 0.000 2.491 390 H HA 0.062 4.618 4.556 -0.001 0.000 0.290 390 H C 1.826 177.189 175.328 0.057 0.000 1.050 390 H CA 1.604 57.690 56.048 0.063 0.000 1.309 390 H CB -0.375 29.424 29.762 0.063 0.000 1.392 390 H HN 0.425 nan 8.280 nan 0.000 0.554 391 L N -0.144 120.933 121.223 -0.245 0.000 2.095 391 L HA -0.041 4.298 4.340 -0.001 0.000 0.204 391 L C 2.048 178.836 176.870 -0.136 0.000 1.080 391 L CA 0.669 55.397 54.840 -0.186 0.000 0.759 391 L CB -0.358 41.594 42.059 -0.178 0.000 0.914 391 L HN 0.301 nan 8.230 nan 0.000 0.439 392 L N -0.237 120.914 121.223 -0.120 0.000 1.937 392 L HA -0.269 4.070 4.340 -0.001 0.000 0.213 392 L C 2.489 179.283 176.870 -0.126 0.000 1.077 392 L CA 2.082 56.830 54.840 -0.154 0.000 0.758 392 L CB -1.439 40.543 42.059 -0.128 0.000 0.888 392 L HN 0.444 nan 8.230 nan 0.000 0.433 393 E N -1.139 119.032 120.200 -0.048 0.000 2.208 393 E HA -0.262 4.087 4.350 -0.001 0.000 0.202 393 E C 1.858 178.457 176.600 -0.001 0.000 1.014 393 E CA 2.079 58.471 56.400 -0.014 0.000 0.819 393 E CB 0.168 29.904 29.700 0.060 0.000 0.735 393 E HN 0.431 nan 8.360 nan 0.000 0.469 394 T N 0.305 114.880 114.554 0.036 0.000 2.852 394 T HA 0.044 4.393 4.350 -0.001 0.000 0.256 394 T C 1.682 176.438 174.700 0.093 0.000 1.038 394 T CA 0.636 62.809 62.100 0.121 0.000 1.141 394 T CB 0.092 69.069 68.868 0.182 0.000 0.869 394 T HN 0.118 nan 8.240 nan 0.000 0.439 395 L N 0.191 121.333 121.223 -0.135 0.000 2.095 395 L HA 0.140 4.480 4.340 -0.001 0.000 0.204 395 L C 0.849 177.563 176.870 -0.260 0.000 1.080 395 L CA 0.975 55.574 54.840 -0.401 0.000 0.759 395 L CB -0.407 41.399 42.059 -0.422 0.000 0.914 395 L HN 0.247 nan 8.230 nan 0.000 0.439 396 L N 1.029 122.023 121.223 -0.382 0.000 3.096 396 L HA 0.221 4.561 4.340 -0.001 0.000 0.247 396 L C -1.059 175.446 176.870 -0.608 0.000 1.321 396 L CA -1.664 52.783 54.840 -0.655 0.000 1.044 396 L CB -0.376 41.288 42.059 -0.657 0.000 1.434 396 L HN -0.101 nan 8.230 nan 0.000 0.533 397 P HA -0.292 nan 4.420 nan 0.000 0.218 397 P C 1.460 178.550 177.300 -0.351 0.000 1.165 397 P CA 1.499 64.379 63.100 -0.366 0.000 0.922 397 P CB 0.311 31.837 31.700 -0.289 0.000 0.794 398 R N -0.764 119.403 120.500 -0.553 0.000 2.105 398 R HA -0.140 4.199 4.340 -0.001 0.000 0.239 398 R C 2.586 178.779 176.300 -0.178 0.000 1.135 398 R CA 1.420 57.337 56.100 -0.305 0.000 0.967 398 R CB -1.476 28.654 30.300 -0.282 0.000 0.861 398 R HN 0.568 nan 8.270 nan 0.000 0.442 399 H N -0.468 118.337 119.070 -0.441 0.000 2.436 399 H HA 0.016 4.571 4.556 -0.001 0.000 0.294 399 H C 1.956 177.145 175.328 -0.232 0.000 1.048 399 H CA 0.383 56.249 56.048 -0.303 0.000 1.353 399 H CB 0.184 29.719 29.762 -0.379 0.000 1.414 399 H HN 0.046 nan 8.280 nan 0.000 0.536 400 L N 1.441 122.587 121.223 -0.128 0.000 2.201 400 L HA -0.180 4.159 4.340 -0.001 0.000 0.212 400 L C 2.268 179.113 176.870 -0.042 0.000 1.105 400 L CA 1.412 56.173 54.840 -0.132 0.000 0.775 400 L CB -0.391 41.624 42.059 -0.074 0.000 0.913 400 L HN 0.362 nan 8.230 nan 0.000 0.440 401 Q N -0.023 119.792 119.800 0.025 0.000 2.033 401 Q HA -0.173 4.166 4.340 -0.001 0.000 0.196 401 Q C 2.313 178.361 176.000 0.080 0.000 0.970 401 Q CA 1.492 57.361 55.803 0.109 0.000 0.828 401 Q CB -0.009 28.766 28.738 0.062 0.000 0.895 401 Q HN 0.540 nan 8.270 nan 0.000 0.440 402 I N 0.899 121.487 120.570 0.029 0.000 2.208 402 I HA -0.311 3.858 4.170 -0.001 0.000 0.245 402 I C 2.223 178.364 176.117 0.040 0.000 1.097 402 I CA 1.029 62.376 61.300 0.078 0.000 1.363 402 I CB -0.246 37.763 38.000 0.015 0.000 1.051 402 I HN 0.321 nan 8.210 nan 0.000 0.413 403 I N -0.427 120.113 120.570 -0.049 0.000 2.208 403 I HA -0.323 3.846 4.170 -0.001 0.000 0.245 403 I C 2.450 178.506 176.117 -0.102 0.000 1.097 403 I CA 1.601 62.833 61.300 -0.113 0.000 1.363 403 I CB -0.509 37.366 38.000 -0.208 0.000 1.051 403 I HN 0.188 nan 8.210 nan 0.000 0.413 404 Y N 0.947 121.226 120.300 -0.035 0.000 2.274 404 Y HA -0.249 4.300 4.550 -0.001 0.000 0.290 404 Y C 2.596 178.438 175.900 -0.096 0.000 1.145 404 Y CA 1.643 59.715 58.100 -0.047 0.000 1.203 404 Y CB -0.399 38.036 38.460 -0.041 0.000 0.984 404 Y HN 0.230 nan 8.280 nan 0.000 0.533 405 E N -0.033 120.177 120.200 0.016 0.000 2.140 405 E HA -0.042 4.307 4.350 -0.001 0.000 0.191 405 E C 1.993 178.368 176.600 -0.375 0.000 0.973 405 E CA 0.733 57.004 56.400 -0.216 0.000 0.829 405 E CB -0.397 29.128 29.700 -0.293 0.000 0.781 405 E HN 0.414 nan 8.360 nan 0.000 0.466 406 I N 1.111 121.543 120.570 -0.230 0.000 2.151 406 I HA -0.322 3.847 4.170 -0.001 0.000 0.243 406 I C 2.317 178.322 176.117 -0.188 0.000 1.080 406 I CA 1.568 62.701 61.300 -0.277 0.000 1.339 406 I CB -0.507 37.343 38.000 -0.251 0.000 1.039 406 I HN 0.233 nan 8.210 nan 0.000 0.409 407 N N 0.741 119.405 118.700 -0.060 0.000 2.025 407 N HA -0.282 4.458 4.740 -0.001 0.000 0.194 407 N C 1.978 177.534 175.510 0.077 0.000 1.044 407 N CA 1.995 55.090 53.050 0.074 0.000 0.851 407 N CB -0.230 38.331 38.487 0.125 0.000 1.036 407 N HN 0.409 nan 8.380 nan 0.000 0.422 408 Q N 0.057 119.855 119.800 -0.003 0.000 2.172 408 Q HA -0.099 4.240 4.340 -0.001 0.000 0.200 408 Q C 1.799 177.778 176.000 -0.035 0.000 0.964 408 Q CA 0.951 56.748 55.803 -0.009 0.000 0.855 408 Q CB -0.279 28.433 28.738 -0.045 0.000 0.918 408 Q HN 0.164 nan 8.270 nan 0.000 0.444 409 R N 0.532 120.965 120.500 -0.112 0.000 2.094 409 R HA -0.116 4.223 4.340 -0.001 0.000 0.239 409 R C 2.050 178.373 176.300 0.038 0.000 1.137 409 R CA 1.934 57.969 56.100 -0.107 0.000 0.943 409 R CB -1.315 28.828 30.300 -0.262 0.000 0.850 409 R HN 0.397 nan 8.270 nan 0.000 0.433 410 F N 0.622 120.536 119.950 -0.060 0.000 2.075 410 F HA -0.117 4.410 4.527 -0.001 0.000 0.297 410 F C 1.834 177.671 175.800 0.061 0.000 1.113 410 F CA 1.503 59.527 58.000 0.039 0.000 1.218 410 F CB -0.484 38.562 39.000 0.076 0.000 0.984 410 F HN -0.052 nan 8.300 nan 0.000 0.472 411 L N 0.078 121.330 121.223 0.048 0.000 2.131 411 L HA -0.256 4.083 4.340 -0.001 0.000 0.210 411 L C 1.929 178.750 176.870 -0.082 0.000 1.092 411 L CA 1.806 56.606 54.840 -0.067 0.000 0.759 411 L CB -0.948 41.146 42.059 0.057 0.000 0.903 411 L HN 0.263 nan 8.230 nan 0.000 0.435 412 N N -0.438 118.232 118.700 -0.050 0.000 2.166 412 N HA -0.193 4.546 4.740 -0.001 0.000 0.186 412 N C 1.988 177.455 175.510 -0.072 0.000 1.019 412 N CA 0.556 53.577 53.050 -0.048 0.000 0.856 412 N CB -0.154 38.311 38.487 -0.036 0.000 0.993 412 N HN 0.172 nan 8.380 nan 0.000 0.426 413 R N 1.459 121.905 120.500 -0.089 0.000 2.127 413 R HA -0.083 4.256 4.340 -0.001 0.000 0.238 413 R C 1.462 177.654 176.300 -0.180 0.000 1.134 413 R CA 1.037 57.075 56.100 -0.103 0.000 0.975 413 R CB -0.469 29.794 30.300 -0.061 0.000 0.865 413 R HN 0.153 nan 8.270 nan 0.000 0.447 414 V N 1.087 120.857 119.914 -0.240 0.000 2.323 414 V HA -0.146 3.973 4.120 -0.001 0.000 0.244 414 V C 2.674 178.756 176.094 -0.020 0.000 1.041 414 V CA 1.670 63.882 62.300 -0.147 0.000 1.025 414 V CB -0.899 30.820 31.823 -0.172 0.000 0.656 414 V HN 0.440 nan 8.190 nan 0.000 0.451 415 A N 0.346 123.150 122.820 -0.025 0.000 1.908 415 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 415 A C 2.467 180.019 177.584 -0.052 0.000 1.181 415 A CA 2.251 54.287 52.037 -0.001 0.000 0.627 415 A CB -0.945 18.047 19.000 -0.012 0.000 0.818 415 A HN 0.591 nan 8.150 nan 0.000 0.445 416 A N -0.401 122.368 122.820 -0.086 0.000 1.927 416 A HA 0.051 4.370 4.320 -0.001 0.000 0.220 416 A C 2.258 179.735 177.584 -0.178 0.000 1.185 416 A CA 2.354 54.328 52.037 -0.104 0.000 0.639 416 A CB -0.804 18.140 19.000 -0.093 0.000 0.820 416 A HN 1.268 nan 8.150 nan 0.000 0.451 417 A N -2.686 119.944 122.820 -0.318 0.000 2.308 417 A HA 0.537 4.856 4.320 -0.001 0.000 0.217 417 A C -0.063 176.965 177.584 -0.927 0.000 1.216 417 A CA -0.038 51.637 52.037 -0.604 0.000 0.864 417 A CB -0.011 18.511 19.000 -0.796 0.000 0.902 417 A HN 0.426 nan 8.150 nan 0.000 0.499 418 F N -0.576 119.342 119.950 -0.053 0.000 3.159 418 F HA 0.307 4.833 4.527 -0.001 0.000 0.394 418 F C -3.049 172.725 175.800 -0.043 0.000 1.214 418 F CA -2.546 55.425 58.000 -0.048 0.000 1.241 418 F CB 0.702 39.665 39.000 -0.061 0.000 2.238 418 F HN -0.113 nan 8.300 nan 0.000 0.658 419 P HA 0.320 nan 4.420 nan 0.000 0.271 419 P C 0.984 178.314 177.300 0.050 0.000 1.216 419 P CA 0.767 63.890 63.100 0.038 0.000 0.771 419 P CB 1.168 32.873 31.700 0.009 0.000 0.864 420 G N 2.572 111.393 108.800 0.035 0.000 2.212 420 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.266 420 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.266 420 G C 0.346 175.260 174.900 0.023 0.000 0.978 420 G CA 0.132 45.246 45.100 0.024 0.000 0.632 420 G HN 0.567 nan 8.290 nan 0.000 0.537 421 D N 0.560 120.984 120.400 0.040 0.000 2.896 421 D HA 0.510 5.149 4.640 -0.001 0.000 0.240 421 D C 1.878 178.163 176.300 -0.024 0.000 1.193 421 D CA 0.186 54.189 54.000 0.005 0.000 0.983 421 D CB 0.286 41.088 40.800 0.004 0.000 1.074 421 D HN 0.090 nan 8.370 nan 0.000 0.496 422 V N 0.884 120.789 119.914 -0.014 0.000 2.313 422 V HA -0.326 3.793 4.120 -0.001 0.000 0.253 422 V C 1.909 177.985 176.094 -0.031 0.000 1.070 422 V CA 2.045 64.335 62.300 -0.016 0.000 1.057 422 V CB -0.406 31.412 31.823 -0.009 0.000 0.653 422 V HN 0.478 nan 8.190 nan 0.000 0.450 423 D N -0.926 119.449 120.400 -0.043 0.000 2.384 423 D HA -0.125 4.514 4.640 -0.001 0.000 0.222 423 D C 2.229 178.483 176.300 -0.076 0.000 0.976 423 D CA 0.799 54.770 54.000 -0.048 0.000 0.915 423 D CB -0.027 40.743 40.800 -0.049 0.000 0.896 423 D HN 0.415 nan 8.370 nan 0.000 0.523 424 R N -0.715 119.718 120.500 -0.112 0.000 2.173 424 R HA 0.184 4.523 4.340 -0.001 0.000 0.208 424 R C 1.495 177.736 176.300 -0.099 0.000 1.035 424 R CA 0.166 56.163 56.100 -0.170 0.000 1.004 424 R CB 0.175 30.281 30.300 -0.323 0.000 0.917 424 R HN 0.246 nan 8.270 nan 0.000 0.462 425 L N 1.952 123.148 121.223 -0.045 0.000 2.693 425 L HA 0.009 4.348 4.340 -0.001 0.000 0.242 425 L C 0.718 177.608 176.870 0.034 0.000 1.157 425 L CA 0.761 55.601 54.840 0.000 0.000 0.929 425 L CB -0.165 41.900 42.059 0.009 0.000 1.103 425 L HN 0.224 nan 8.230 nan 0.000 0.430 426 R N -2.178 118.337 120.500 0.025 0.000 2.538 426 R HA 0.156 4.495 4.340 -0.001 0.000 0.372 426 R C 1.226 177.564 176.300 0.063 0.000 0.950 426 R CA -0.142 55.990 56.100 0.054 0.000 1.168 426 R CB -0.362 29.958 30.300 0.034 0.000 1.542 426 R HN -0.069 nan 8.270 nan 0.000 0.536 427 R N -0.533 119.984 120.500 0.028 0.000 2.435 427 R HA 0.362 4.702 4.340 -0.001 0.000 0.221 427 R C 0.922 177.221 176.300 -0.001 0.000 0.885 427 R CA 0.168 56.285 56.100 0.027 0.000 1.018 427 R CB 0.330 30.597 30.300 -0.055 0.000 1.259 427 R HN 0.048 nan 8.270 nan 0.000 0.597 428 M N 0.284 119.842 119.600 -0.069 0.000 2.248 428 M HA 0.093 4.572 4.480 -0.001 0.000 0.265 428 M C 1.196 177.638 176.300 0.237 0.000 1.079 428 M CA 0.684 55.922 55.300 -0.103 0.000 1.150 428 M CB -0.833 31.755 32.600 -0.021 0.000 1.366 428 M HN -0.103 nan 8.290 nan 0.000 0.433 429 S N 1.498 117.354 115.700 0.260 0.000 2.574 429 S HA -0.083 4.386 4.470 -0.001 0.000 0.302 429 S C 1.351 176.202 174.600 0.418 0.000 1.270 429 S CA -0.049 58.336 58.200 0.308 0.000 1.040 429 S CB 0.497 63.825 63.200 0.215 0.000 0.767 429 S HN 0.269 nan 8.310 nan 0.000 0.494 430 L N 4.107 125.512 121.223 0.304 0.000 2.209 430 L HA 0.178 4.517 4.340 -0.001 0.000 0.207 430 L C 0.691 177.648 176.870 0.145 0.000 1.094 430 L CA 0.950 55.931 54.840 0.234 0.000 0.790 430 L CB -0.259 41.881 42.059 0.134 0.000 0.932 430 L HN 0.446 nan 8.230 nan 0.000 0.447 431 V N 1.224 121.228 119.914 0.150 0.000 2.348 431 V HA 0.113 4.233 4.120 -0.001 0.000 0.270 431 V C 0.428 176.592 176.094 0.117 0.000 1.037 431 V CA -0.542 61.833 62.300 0.125 0.000 0.872 431 V CB 1.378 33.329 31.823 0.213 0.000 1.002 431 V HN 0.241 nan 8.190 nan 0.000 0.464 432 E N 3.837 124.085 120.200 0.080 0.000 2.392 432 E HA 0.257 4.606 4.350 -0.001 0.000 0.259 432 E C -0.285 176.356 176.600 0.069 0.000 1.108 432 E CA -0.126 56.312 56.400 0.064 0.000 0.916 432 E CB 0.689 30.406 29.700 0.028 0.000 0.989 432 E HN 0.597 nan 8.360 nan 0.000 0.432 433 E N 0.001 120.235 120.200 0.057 0.000 2.392 433 E HA 0.493 4.842 4.350 -0.001 0.000 0.269 433 E C 0.120 176.742 176.600 0.038 0.000 0.924 433 E CA -0.104 56.327 56.400 0.053 0.000 0.784 433 E CB 1.880 31.610 29.700 0.050 0.000 1.292 433 E HN 0.726 nan 8.360 nan 0.000 0.447 434 G N 1.227 110.048 108.800 0.035 0.000 2.826 434 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.233 434 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.233 434 G C -0.446 174.469 174.900 0.025 0.000 1.296 434 G CA -0.110 45.005 45.100 0.025 0.000 1.001 434 G HN 0.738 nan 8.290 nan 0.000 0.576 435 A N 0.047 122.878 122.820 0.019 0.000 3.004 435 A HA 0.727 5.046 4.320 -0.001 0.000 0.286 435 A C 0.639 178.238 177.584 0.026 0.000 1.632 435 A CA 0.895 52.943 52.037 0.018 0.000 1.339 435 A CB -0.906 18.099 19.000 0.009 0.000 1.136 435 A HN 2.327 nan 8.150 nan 0.000 0.577 436 V N 0.928 120.866 119.914 0.041 0.000 3.275 436 V HA -0.157 3.962 4.120 -0.001 0.000 0.466 436 V C 0.211 176.342 176.094 0.063 0.000 0.682 436 V CA 0.923 63.263 62.300 0.066 0.000 2.001 436 V CB -1.167 30.700 31.823 0.074 0.000 2.461 436 V HN 1.056 nan 8.190 nan 0.000 0.497 437 K N 6.673 127.121 120.400 0.080 0.000 2.349 437 K HA 0.499 4.819 4.320 -0.001 0.000 0.289 437 K C 0.223 176.876 176.600 0.088 0.000 1.064 437 K CA -0.514 55.824 56.287 0.085 0.000 0.947 437 K CB 0.669 33.231 32.500 0.103 0.000 1.007 437 K HN 0.673 nan 8.250 nan 0.000 0.478 438 R N 3.637 124.174 120.500 0.061 0.000 2.939 438 R HA 0.511 4.850 4.340 -0.001 0.000 0.254 438 R C -0.266 176.052 176.300 0.030 0.000 1.123 438 R CA -1.112 55.013 56.100 0.042 0.000 1.020 438 R CB 1.215 31.519 30.300 0.007 0.000 1.206 438 R HN 0.536 nan 8.270 nan 0.000 0.491 439 I N 1.609 122.193 120.570 0.023 0.000 2.412 439 I HA 0.152 4.322 4.170 -0.001 0.000 0.296 439 I C -0.185 175.928 176.117 -0.007 0.000 0.987 439 I CA -0.761 60.540 61.300 0.001 0.000 1.180 439 I CB 1.653 39.643 38.000 -0.016 0.000 1.340 439 I HN 0.433 nan 8.210 nan 0.000 0.455 440 N N 6.698 125.373 118.700 -0.041 0.000 2.462 440 N HA 0.132 4.872 4.740 -0.001 0.000 0.242 440 N C 0.665 176.139 175.510 -0.060 0.000 1.010 440 N CA -0.419 52.559 53.050 -0.120 0.000 0.939 440 N CB 1.099 39.358 38.487 -0.381 0.000 1.127 440 N HN 0.427 nan 8.380 nan 0.000 0.509 441 M N 2.529 122.121 119.600 -0.013 0.000 2.117 441 M HA -0.072 4.407 4.480 -0.001 0.000 0.262 441 M C 1.975 178.241 176.300 -0.056 0.000 1.065 441 M CA 1.042 56.351 55.300 0.016 0.000 1.114 441 M CB -1.722 30.939 32.600 0.102 0.000 1.361 441 M HN 0.639 nan 8.290 nan 0.000 0.408 442 A N -0.871 121.936 122.820 -0.021 0.000 1.972 442 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 442 A C 1.967 179.508 177.584 -0.072 0.000 1.169 442 A CA 1.532 53.547 52.037 -0.036 0.000 0.635 442 A CB -1.198 17.978 19.000 0.294 0.000 0.810 442 A HN 0.648 nan 8.150 nan 0.000 0.446 443 H N -1.315 117.704 119.070 -0.085 0.000 2.428 443 H HA 0.054 4.609 4.556 -0.001 0.000 0.296 443 H C 2.049 177.215 175.328 -0.270 0.000 1.062 443 H CA 0.745 56.679 56.048 -0.190 0.000 1.350 443 H CB 0.027 29.844 29.762 0.092 0.000 1.403 443 H HN 0.394 nan 8.280 nan 0.000 0.533 444 L N 0.219 121.395 121.223 -0.078 0.000 2.056 444 L HA -0.207 4.132 4.340 -0.001 0.000 0.207 444 L C 2.146 178.909 176.870 -0.177 0.000 1.078 444 L CA 1.006 55.780 54.840 -0.110 0.000 0.749 444 L CB -0.267 41.752 42.059 -0.068 0.000 0.901 444 L HN 0.442 nan 8.230 nan 0.000 0.433 445 C N 0.258 119.367 119.300 -0.319 0.000 2.455 445 C HA -0.183 4.276 4.460 -0.001 0.000 0.281 445 C C 2.579 177.330 174.990 -0.398 0.000 1.237 445 C CA 0.604 59.341 59.018 -0.468 0.000 1.726 445 C CB -0.811 26.264 27.740 -1.109 0.000 2.068 445 C HN 0.495 nan 8.230 nan 0.000 0.466 446 I N 1.630 121.915 120.570 -0.476 0.000 2.462 446 I HA -0.292 3.877 4.170 -0.001 0.000 0.259 446 I C 2.494 178.442 176.117 -0.280 0.000 1.156 446 I CA 1.590 62.656 61.300 -0.390 0.000 1.417 446 I CB -0.621 36.985 38.000 -0.656 0.000 1.088 446 I HN 0.399 nan 8.210 nan 0.000 0.442 447 A N 0.462 123.105 122.820 -0.295 0.000 1.935 447 A HA 0.118 4.437 4.320 -0.001 0.000 0.214 447 A C 2.282 179.960 177.584 0.157 0.000 1.178 447 A CA 1.300 53.194 52.037 -0.239 0.000 0.640 447 A CB -0.695 18.039 19.000 -0.443 0.000 0.825 447 A HN 0.424 nan 8.150 nan 0.000 0.447 448 G N -0.913 107.967 108.800 0.133 0.000 3.126 448 G HA2 0.367 4.327 3.960 -0.001 0.000 0.224 448 G HA3 0.367 4.327 3.960 -0.001 0.000 0.224 448 G C 0.111 174.919 174.900 -0.153 0.000 1.142 448 G CA 0.351 45.435 45.100 -0.025 0.000 0.759 448 G HN 0.314 nan 8.290 nan 0.000 0.550 449 S N 0.430 116.063 115.700 -0.112 0.000 2.442 449 S HA 0.286 4.756 4.470 -0.001 0.000 0.297 449 S C 0.856 175.411 174.600 -0.074 0.000 1.131 449 S CA -0.555 57.575 58.200 -0.117 0.000 1.092 449 S CB 1.199 64.348 63.200 -0.084 0.000 0.998 449 S HN 0.600 nan 8.310 nan 0.000 0.478 450 H N 0.940 119.985 119.070 -0.041 0.000 2.561 450 H HA 0.449 5.004 4.556 -0.001 0.000 0.278 450 H C 0.158 175.472 175.328 -0.024 0.000 1.014 450 H CA 0.700 56.742 56.048 -0.010 0.000 1.211 450 H CB 0.037 29.807 29.762 0.013 0.000 1.365 450 H HN 0.570 nan 8.280 nan 0.000 0.594 451 A N 0.230 122.969 122.820 -0.136 0.000 2.518 451 A HA 0.527 4.846 4.320 -0.001 0.000 0.295 451 A C -1.543 175.916 177.584 -0.208 0.000 1.052 451 A CA -0.574 51.384 52.037 -0.132 0.000 0.824 451 A CB 0.809 19.809 19.000 0.000 0.000 1.325 451 A HN 0.136 nan 8.150 nan 0.000 0.394 452 V N 4.169 123.862 119.914 -0.367 0.000 2.547 452 V HA 0.625 4.745 4.120 -0.001 0.000 0.299 452 V C -0.385 175.483 176.094 -0.377 0.000 1.040 452 V CA -0.708 61.327 62.300 -0.441 0.000 0.913 452 V CB 1.807 33.200 31.823 -0.717 0.000 0.992 452 V HN 0.985 nan 8.190 nan 0.000 0.449 453 N N 2.437 120.945 118.700 -0.321 0.000 2.242 453 N HA 0.490 5.230 4.740 -0.001 0.000 0.292 453 N C -0.319 175.032 175.510 -0.266 0.000 1.125 453 N CA -0.516 52.387 53.050 -0.245 0.000 0.783 453 N CB 2.491 40.836 38.487 -0.236 0.000 1.558 453 N HN 0.674 nan 8.380 nan 0.000 0.472 454 G N -0.377 108.263 108.800 -0.267 0.000 2.507 454 G HA2 0.368 4.328 3.960 -0.001 0.000 0.271 454 G HA3 0.368 4.328 3.960 -0.001 0.000 0.271 454 G C 0.640 175.395 174.900 -0.242 0.000 1.189 454 G CA -0.615 44.196 45.100 -0.481 0.000 0.859 454 G HN 0.347 nan 8.290 nan 0.000 0.542 455 V N 0.671 120.527 119.914 -0.097 0.000 3.052 455 V HA 0.307 4.426 4.120 -0.001 0.000 0.254 455 V C 1.500 177.666 176.094 0.120 0.000 1.100 455 V CA 1.739 64.080 62.300 0.069 0.000 1.112 455 V CB -0.444 31.447 31.823 0.113 0.000 0.738 455 V HN 0.907 nan 8.190 nan 0.000 0.469 456 A N -0.879 122.028 122.820 0.144 0.000 2.435 456 A HA 0.612 4.931 4.320 -0.001 0.000 0.296 456 A C 1.027 178.651 177.584 0.067 0.000 1.147 456 A CA -0.424 51.680 52.037 0.111 0.000 0.775 456 A CB 1.175 20.248 19.000 0.121 0.000 1.340 456 A HN 0.045 nan 8.150 nan 0.000 0.427 457 R N -0.144 120.388 120.500 0.053 0.000 2.070 457 R HA -0.181 4.158 4.340 -0.001 0.000 0.232 457 R C 1.842 178.163 176.300 0.034 0.000 1.138 457 R CA 2.539 58.657 56.100 0.031 0.000 0.936 457 R CB -0.895 29.424 30.300 0.032 0.000 0.839 457 R HN 0.820 nan 8.270 nan 0.000 0.429 458 I N -0.691 119.906 120.570 0.045 0.000 2.143 458 I HA -0.349 3.821 4.170 -0.001 0.000 0.245 458 I C 2.601 178.772 176.117 0.091 0.000 1.068 458 I CA 2.289 63.618 61.300 0.047 0.000 1.326 458 I CB -1.153 36.870 38.000 0.037 0.000 1.028 458 I HN 0.289 nan 8.210 nan 0.000 0.412 459 H N 0.839 119.914 119.070 0.010 0.000 2.357 459 H HA -0.032 4.523 4.556 -0.001 0.000 0.301 459 H C 2.290 177.644 175.328 0.044 0.000 1.082 459 H CA 1.781 57.844 56.048 0.025 0.000 1.342 459 H CB -0.418 29.361 29.762 0.027 0.000 1.389 459 H HN 0.351 nan 8.280 nan 0.000 0.511 460 S N -0.231 115.422 115.700 -0.078 0.000 2.402 460 S HA -0.098 4.371 4.470 -0.001 0.000 0.229 460 S C 1.881 176.478 174.600 -0.005 0.000 1.021 460 S CA 0.955 59.107 58.200 -0.080 0.000 0.974 460 S CB -0.010 63.164 63.200 -0.043 0.000 0.800 460 S HN 0.445 nan 8.310 nan 0.000 0.484 461 E N 1.412 121.608 120.200 -0.007 0.000 2.051 461 E HA -0.133 4.216 4.350 -0.001 0.000 0.192 461 E C 1.701 178.278 176.600 -0.038 0.000 0.991 461 E CA 0.979 57.352 56.400 -0.045 0.000 0.799 461 E CB -0.564 29.117 29.700 -0.031 0.000 0.748 461 E HN 0.765 nan 8.360 nan 0.000 0.449 462 I N -1.432 119.156 120.570 0.031 0.000 3.620 462 I HA 0.023 4.192 4.170 -0.001 0.000 0.305 462 I C 1.360 177.528 176.117 0.084 0.000 1.243 462 I CA 0.625 61.952 61.300 0.044 0.000 1.196 462 I CB -0.374 37.666 38.000 0.067 0.000 1.004 462 I HN -0.114 nan 8.210 nan 0.000 0.487 463 L N -0.344 120.942 121.223 0.105 0.000 2.693 463 L HA 0.321 4.661 4.340 -0.001 0.000 0.235 463 L C 1.771 178.702 176.870 0.102 0.000 1.127 463 L CA 0.146 55.120 54.840 0.223 0.000 0.914 463 L CB -0.104 42.231 42.059 0.459 0.000 1.193 463 L HN 0.234 nan 8.230 nan 0.000 0.502 464 K N 0.183 120.508 120.400 -0.125 0.000 2.273 464 K HA 0.115 4.434 4.320 -0.001 0.000 0.206 464 K C 1.709 178.133 176.600 -0.294 0.000 1.072 464 K CA 0.236 56.263 56.287 -0.433 0.000 0.953 464 K CB 0.320 32.361 32.500 -0.765 0.000 1.043 464 K HN -0.014 nan 8.250 nan 0.000 0.477 465 K N 0.601 120.878 120.400 -0.205 0.000 2.155 465 K HA -0.046 4.274 4.320 -0.001 0.000 0.203 465 K C 1.938 178.490 176.600 -0.080 0.000 1.052 465 K CA 1.862 58.070 56.287 -0.131 0.000 0.948 465 K CB 0.168 32.606 32.500 -0.103 0.000 0.728 465 K HN 0.296 nan 8.250 nan 0.000 0.448 466 T N -2.240 112.277 114.554 -0.062 0.000 3.138 466 T HA 0.173 4.523 4.350 -0.001 0.000 0.245 466 T C 1.851 176.515 174.700 -0.061 0.000 0.982 466 T CA -0.145 61.924 62.100 -0.051 0.000 1.134 466 T CB -0.196 68.648 68.868 -0.040 0.000 1.032 466 T HN -0.003 nan 8.240 nan 0.000 0.442 467 I N -0.770 119.744 120.570 -0.094 0.000 2.867 467 I HA 0.341 4.511 4.170 -0.001 0.000 0.265 467 I C 0.655 176.617 176.117 -0.258 0.000 1.162 467 I CA 0.549 61.709 61.300 -0.234 0.000 1.471 467 I CB 0.101 37.868 38.000 -0.389 0.000 1.123 467 I HN 0.073 nan 8.210 nan 0.000 0.440 468 F N 1.161 121.234 119.950 0.206 0.000 2.805 468 F HA 0.310 4.837 4.527 -0.001 0.000 0.317 468 F C 1.807 177.718 175.800 0.186 0.000 1.146 468 F CA -0.731 57.508 58.000 0.399 0.000 1.265 468 F CB -0.131 39.173 39.000 0.508 0.000 0.992 468 F HN -0.157 nan 8.300 nan 0.000 0.511 469 K N 0.835 121.314 120.400 0.132 0.000 2.097 469 K HA -0.290 4.030 4.320 -0.001 0.000 0.214 469 K C 0.962 177.574 176.600 0.020 0.000 1.052 469 K CA 2.645 58.945 56.287 0.022 0.000 0.932 469 K CB -0.065 32.417 32.500 -0.029 0.000 0.716 469 K HN 0.206 nan 8.250 nan 0.000 0.455 470 D N -0.508 119.847 120.400 -0.076 0.000 2.117 470 D HA -0.112 4.527 4.640 -0.001 0.000 0.197 470 D C 1.703 177.955 176.300 -0.079 0.000 0.987 470 D CA 1.200 55.076 54.000 -0.206 0.000 0.829 470 D CB -0.246 40.277 40.800 -0.462 0.000 0.961 470 D HN 0.227 nan 8.370 nan 0.000 0.460 471 F N -0.512 119.541 119.950 0.172 0.000 2.113 471 F HA -0.098 4.429 4.527 -0.001 0.000 0.297 471 F C 2.234 178.129 175.800 0.158 0.000 1.103 471 F CA 0.676 58.831 58.000 0.258 0.000 1.248 471 F CB -0.958 38.268 39.000 0.377 0.000 0.999 471 F HN -0.003 nan 8.300 nan 0.000 0.475 472 Y N 1.059 121.307 120.300 -0.088 0.000 2.274 472 Y HA -0.186 4.363 4.550 -0.001 0.000 0.290 472 Y C 2.168 178.051 175.900 -0.028 0.000 1.145 472 Y CA 1.589 59.505 58.100 -0.306 0.000 1.203 472 Y CB -0.405 37.725 38.460 -0.550 0.000 0.984 472 Y HN 0.156 nan 8.280 nan 0.000 0.533 473 E N -0.434 119.877 120.200 0.185 0.000 2.106 473 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 473 E C 1.850 178.555 176.600 0.175 0.000 0.984 473 E CA 1.544 58.053 56.400 0.182 0.000 0.806 473 E CB -0.203 29.607 29.700 0.184 0.000 0.750 473 E HN 0.486 nan 8.360 nan 0.000 0.458 474 L N -0.807 120.552 121.223 0.227 0.000 2.249 474 L HA 0.206 4.545 4.340 -0.001 0.000 0.207 474 L C 0.449 177.379 176.870 0.099 0.000 1.090 474 L CA 1.161 56.110 54.840 0.182 0.000 0.802 474 L CB -0.257 41.937 42.059 0.225 0.000 0.947 474 L HN -0.191 nan 8.230 nan 0.000 0.453 475 E N 0.524 120.782 120.200 0.096 0.000 2.795 475 E HA 0.263 4.612 4.350 -0.001 0.000 0.226 475 E C -2.017 174.443 176.600 -0.234 0.000 1.088 475 E CA -1.515 54.851 56.400 -0.057 0.000 0.812 475 E CB 1.377 31.100 29.700 0.038 0.000 1.328 475 E HN 0.140 nan 8.360 nan 0.000 0.410 476 P HA -0.215 nan 4.420 nan 0.000 0.217 476 P C 1.039 178.059 177.300 -0.466 0.000 1.150 476 P CA 1.152 63.907 63.100 -0.576 0.000 0.832 476 P CB 0.047 31.516 31.700 -0.385 0.000 0.787 477 H N -0.703 118.324 119.070 -0.071 0.000 2.547 477 H HA 0.183 4.738 4.556 -0.001 0.000 0.272 477 H C 1.240 176.625 175.328 0.095 0.000 0.989 477 H CA 0.551 56.613 56.048 0.023 0.000 1.214 477 H CB -0.412 29.357 29.762 0.012 0.000 1.389 477 H HN 0.124 nan 8.280 nan 0.000 0.577 478 K N 0.502 120.815 120.400 -0.145 0.000 2.283 478 K HA -0.021 4.298 4.320 -0.001 0.000 0.202 478 K C -0.222 176.230 176.600 -0.247 0.000 1.048 478 K CA 0.409 56.615 56.287 -0.135 0.000 0.948 478 K CB -0.022 32.296 32.500 -0.303 0.000 0.742 478 K HN 0.109 nan 8.250 nan 0.000 0.458 479 F N 2.178 122.150 119.950 0.038 0.000 2.472 479 F HA 0.091 4.617 4.527 -0.001 0.000 0.364 479 F C 0.807 176.649 175.800 0.070 0.000 1.090 479 F CA 0.100 58.159 58.000 0.097 0.000 1.188 479 F CB 0.548 39.730 39.000 0.303 0.000 1.105 479 F HN -0.073 nan 8.300 nan 0.000 0.536 480 Q N 2.081 121.887 119.800 0.010 0.000 2.572 480 Q HA 0.425 4.764 4.340 -0.001 0.000 0.284 480 Q C -0.978 174.988 176.000 -0.057 0.000 1.091 480 Q CA -1.223 54.568 55.803 -0.020 0.000 0.840 480 Q CB 2.997 31.673 28.738 -0.104 0.000 1.433 480 Q HN 0.619 nan 8.270 nan 0.000 0.471 481 N N 0.290 118.932 118.700 -0.097 0.000 2.229 481 N HA 0.266 5.006 4.740 -0.001 0.000 0.298 481 N C -1.579 173.806 175.510 -0.207 0.000 1.114 481 N CA -0.397 52.580 53.050 -0.122 0.000 0.776 481 N CB 1.344 39.795 38.487 -0.060 0.000 1.501 481 N HN 0.280 nan 8.380 nan 0.000 0.474 482 K N 2.518 122.778 120.400 -0.235 0.000 2.740 482 K HA 0.175 4.494 4.320 -0.001 0.000 0.246 482 K C -1.109 175.444 176.600 -0.078 0.000 1.021 482 K CA -0.476 55.624 56.287 -0.312 0.000 1.021 482 K CB 1.153 33.141 32.500 -0.854 0.000 1.233 482 K HN 0.515 nan 8.250 nan 0.000 0.497 483 T N 2.106 116.664 114.554 0.006 0.000 3.859 483 T HA 0.056 4.405 4.350 -0.001 0.000 0.251 483 T C 0.386 175.211 174.700 0.209 0.000 1.079 483 T CA -0.469 61.702 62.100 0.119 0.000 1.151 483 T CB -0.753 68.214 68.868 0.165 0.000 1.173 483 T HN 0.200 nan 8.240 nan 0.000 0.885 484 N N 2.810 121.666 118.700 0.260 0.000 1.794 484 N HA -0.051 4.688 4.740 -0.001 0.000 0.324 484 N C 0.827 176.538 175.510 0.334 0.000 1.301 484 N CA 0.678 53.954 53.050 0.376 0.000 0.798 484 N CB 0.281 38.970 38.487 0.337 0.000 1.038 484 N HN 0.753 nan 8.380 nan 0.000 0.506 485 G N 0.575 109.589 108.800 0.356 0.000 2.828 485 G HA2 0.672 4.631 3.960 -0.001 0.000 0.244 485 G HA3 0.672 4.631 3.960 -0.001 0.000 0.244 485 G C -0.027 175.020 174.900 0.246 0.000 1.365 485 G CA -0.252 45.025 45.100 0.294 0.000 1.041 485 G HN 0.441 nan 8.290 nan 0.000 0.560 486 I N -2.033 118.655 120.570 0.197 0.000 3.786 486 I HA 0.727 4.896 4.170 -0.001 0.000 0.267 486 I C 0.001 176.261 176.117 0.239 0.000 1.209 486 I CA -0.798 60.601 61.300 0.165 0.000 1.157 486 I CB 2.378 40.400 38.000 0.036 0.000 1.399 486 I HN 0.481 nan 8.210 nan 0.000 0.502 487 T N 1.641 116.418 114.554 0.372 0.000 2.971 487 T HA 0.471 4.821 4.350 -0.001 0.000 0.304 487 T C -2.378 172.389 174.700 0.112 0.000 1.038 487 T CA -1.553 60.667 62.100 0.200 0.000 1.007 487 T CB 1.630 70.592 68.868 0.157 0.000 1.055 487 T HN 0.225 nan 8.240 nan 0.000 0.451 488 P HA -0.042 nan 4.420 nan 0.000 0.215 488 P C 1.386 178.549 177.300 -0.228 0.000 1.153 488 P CA 0.849 63.859 63.100 -0.150 0.000 0.853 488 P CB 0.250 31.783 31.700 -0.278 0.000 0.788 489 R N -0.607 119.715 120.500 -0.296 0.000 2.097 489 R HA -0.130 4.209 4.340 -0.001 0.000 0.236 489 R C 2.474 178.584 176.300 -0.317 0.000 1.135 489 R CA 1.745 57.647 56.100 -0.330 0.000 0.934 489 R CB -1.105 29.003 30.300 -0.320 0.000 0.846 489 R HN 0.076 nan 8.270 nan 0.000 0.431 490 R N -1.168 119.088 120.500 -0.407 0.000 2.062 490 R HA -0.072 4.267 4.340 -0.001 0.000 0.229 490 R C 1.028 176.781 176.300 -0.911 0.000 1.128 490 R CA 1.522 57.161 56.100 -0.768 0.000 0.960 490 R CB -0.115 29.552 30.300 -1.055 0.000 0.855 490 R HN 0.290 nan 8.270 nan 0.000 0.432 491 W N -0.575 120.661 121.300 -0.105 0.000 3.330 491 W HA 0.293 4.952 4.660 -0.001 0.000 0.348 491 W C 1.088 177.555 176.519 -0.086 0.000 1.205 491 W CA -0.530 56.757 57.345 -0.098 0.000 1.841 491 W CB 0.511 29.926 29.460 -0.075 0.000 1.084 491 W HN 0.148 nan 8.180 nan 0.000 0.665 492 L N -2.171 119.039 121.223 -0.023 0.000 2.692 492 L HA 0.017 4.356 4.340 -0.001 0.000 0.175 492 L C 1.943 178.780 176.870 -0.056 0.000 1.112 492 L CA 0.258 55.090 54.840 -0.013 0.000 0.908 492 L CB -0.608 41.443 42.059 -0.013 0.000 1.672 492 L HN -0.306 nan 8.230 nan 0.000 0.500 493 V N 1.060 120.909 119.914 -0.108 0.000 2.237 493 V HA -0.308 3.811 4.120 -0.001 0.000 0.245 493 V C 2.345 178.377 176.094 -0.103 0.000 1.046 493 V CA 1.997 64.242 62.300 -0.093 0.000 1.007 493 V CB -0.445 31.301 31.823 -0.129 0.000 0.638 493 V HN 0.264 nan 8.190 nan 0.000 0.445 494 L N 0.479 121.600 121.223 -0.169 0.000 1.961 494 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 494 L C 2.816 179.589 176.870 -0.162 0.000 1.075 494 L CA 2.509 57.241 54.840 -0.180 0.000 0.749 494 L CB -1.125 40.772 42.059 -0.269 0.000 0.890 494 L HN 0.642 nan 8.230 nan 0.000 0.433 495 C N -1.789 117.390 119.300 -0.201 0.000 2.413 495 C HA -0.097 4.362 4.460 -0.001 0.000 0.276 495 C C 1.400 176.351 174.990 -0.065 0.000 1.236 495 C CA 0.260 59.196 59.018 -0.137 0.000 1.735 495 C CB -1.022 26.653 27.740 -0.109 0.000 2.031 495 C HN 0.556 nan 8.230 nan 0.000 0.474 496 N N 1.300 119.978 118.700 -0.035 0.000 2.804 496 N HA 0.340 5.079 4.740 -0.001 0.000 0.251 496 N C -2.365 173.151 175.510 0.010 0.000 1.250 496 N CA -1.322 51.727 53.050 -0.002 0.000 0.820 496 N CB 1.252 39.754 38.487 0.024 0.000 1.156 496 N HN 0.263 nan 8.380 nan 0.000 0.512 497 P HA 0.129 nan 4.420 nan 0.000 0.230 497 P C 1.305 178.614 177.300 0.016 0.000 1.168 497 P CA 0.403 63.506 63.100 0.006 0.000 0.793 497 P CB 0.464 32.157 31.700 -0.012 0.000 0.851 498 G N 0.307 109.117 108.800 0.017 0.000 2.408 498 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.217 498 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.217 498 G C 1.388 176.305 174.900 0.029 0.000 1.150 498 G CA 0.305 45.415 45.100 0.017 0.000 0.776 498 G HN 0.288 nan 8.290 nan 0.000 0.542 499 L N 0.260 121.512 121.223 0.049 0.000 2.270 499 L HA 0.359 4.698 4.340 -0.001 0.000 0.210 499 L C 2.840 179.759 176.870 0.082 0.000 1.104 499 L CA 1.057 55.942 54.840 0.075 0.000 0.804 499 L CB -0.014 42.100 42.059 0.092 0.000 0.937 499 L HN 0.217 nan 8.230 nan 0.000 0.450 500 A N -0.681 122.187 122.820 0.080 0.000 2.206 500 A HA -0.154 4.166 4.320 -0.001 0.000 0.211 500 A C 1.958 179.589 177.584 0.079 0.000 1.158 500 A CA 1.159 53.271 52.037 0.125 0.000 0.761 500 A CB -0.276 18.798 19.000 0.125 0.000 0.801 500 A HN 0.544 nan 8.150 nan 0.000 0.473 501 E N 0.795 121.015 120.200 0.033 0.000 2.028 501 E HA -0.116 4.233 4.350 -0.001 0.000 0.190 501 E C 1.589 178.163 176.600 -0.042 0.000 0.984 501 E CA 1.426 57.825 56.400 -0.002 0.000 0.800 501 E CB -0.343 29.350 29.700 -0.012 0.000 0.758 501 E HN 0.719 nan 8.360 nan 0.000 0.448 502 I N -1.318 119.220 120.570 -0.054 0.000 3.616 502 I HA 0.153 4.322 4.170 -0.001 0.000 0.306 502 I C 0.889 176.905 176.117 -0.168 0.000 1.232 502 I CA 0.405 61.619 61.300 -0.143 0.000 1.182 502 I CB -0.069 37.821 38.000 -0.183 0.000 1.007 502 I HN 0.117 nan 8.210 nan 0.000 0.479 503 I N 0.220 120.718 120.570 -0.121 0.000 4.033 503 I HA 0.170 4.339 4.170 -0.001 0.000 0.296 503 I C 2.698 178.639 176.117 -0.292 0.000 1.210 503 I CA 0.744 61.939 61.300 -0.175 0.000 1.341 503 I CB -0.213 37.706 38.000 -0.134 0.000 1.369 503 I HN 0.262 nan 8.210 nan 0.000 0.453 504 A N 2.287 124.961 122.820 -0.243 0.000 1.893 504 A HA -0.334 3.985 4.320 -0.001 0.000 0.222 504 A C 1.944 179.418 177.584 -0.183 0.000 1.309 504 A CA 2.984 54.892 52.037 -0.216 0.000 0.681 504 A CB -0.912 18.049 19.000 -0.065 0.000 0.842 504 A HN 0.598 nan 8.150 nan 0.000 0.468 505 E N 0.100 120.217 120.200 -0.138 0.000 2.274 505 E HA -0.103 4.246 4.350 -0.001 0.000 0.194 505 E C 1.867 178.398 176.600 -0.116 0.000 0.996 505 E CA 1.194 57.532 56.400 -0.104 0.000 0.840 505 E CB -0.370 29.278 29.700 -0.087 0.000 0.772 505 E HN 0.725 nan 8.360 nan 0.000 0.491 506 R N 0.606 120.995 120.500 -0.185 0.000 2.057 506 R HA 0.168 4.508 4.340 -0.001 0.000 0.224 506 R C 2.527 178.731 176.300 -0.159 0.000 1.136 506 R CA 1.582 57.555 56.100 -0.211 0.000 0.968 506 R CB -0.483 29.551 30.300 -0.445 0.000 0.863 506 R HN 0.420 nan 8.270 nan 0.000 0.433 507 I N -2.691 117.752 120.570 -0.213 0.000 3.462 507 I HA 0.370 4.539 4.170 -0.001 0.000 0.290 507 I C 0.429 176.491 176.117 -0.091 0.000 1.236 507 I CA 0.360 61.576 61.300 -0.141 0.000 1.418 507 I CB 0.457 38.341 38.000 -0.194 0.000 1.102 507 I HN 0.151 nan 8.210 nan 0.000 0.441 508 G N 2.174 110.903 108.800 -0.119 0.000 3.367 508 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.686 508 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.686 508 G C -0.124 174.760 174.900 -0.027 0.000 1.146 508 G CA -0.261 44.810 45.100 -0.047 0.000 0.913 508 G HN 0.355 nan 8.290 nan 0.000 0.554 509 E N 0.232 120.463 120.200 0.051 0.000 2.501 509 E HA -0.119 4.230 4.350 -0.001 0.000 0.203 509 E C 2.012 178.814 176.600 0.338 0.000 1.072 509 E CA 0.703 57.253 56.400 0.251 0.000 0.885 509 E CB 0.102 29.931 29.700 0.214 0.000 0.813 509 E HN 0.626 nan 8.360 nan 0.000 0.556 510 E N -0.075 120.248 120.200 0.204 0.000 2.273 510 E HA -0.229 4.120 4.350 -0.001 0.000 0.198 510 E C 1.742 178.468 176.600 0.210 0.000 1.002 510 E CA 1.029 57.531 56.400 0.170 0.000 0.828 510 E CB -0.160 29.604 29.700 0.107 0.000 0.747 510 E HN 0.550 nan 8.360 nan 0.000 0.491 511 Y N -0.026 120.285 120.300 0.019 0.000 2.114 511 Y HA -0.184 4.365 4.550 -0.001 0.000 0.282 511 Y C 1.957 177.850 175.900 -0.012 0.000 1.165 511 Y CA 0.968 59.071 58.100 0.005 0.000 1.148 511 Y CB -1.242 37.220 38.460 0.003 0.000 0.972 511 Y HN -0.062 nan 8.280 nan 0.000 0.504 512 I N -0.004 120.315 120.570 -0.417 0.000 2.530 512 I HA -0.231 3.938 4.170 -0.001 0.000 0.257 512 I C 2.048 177.997 176.117 -0.281 0.000 1.179 512 I CA 2.007 62.988 61.300 -0.531 0.000 1.440 512 I CB -0.317 37.328 38.000 -0.592 0.000 1.087 512 I HN 0.417 nan 8.210 nan 0.000 0.440 513 S N -1.046 114.595 115.700 -0.098 0.000 2.819 513 S HA 0.105 4.575 4.470 -0.001 0.000 0.249 513 S C -0.281 174.319 174.600 -0.000 0.000 1.030 513 S CA -0.469 57.711 58.200 -0.034 0.000 1.052 513 S CB -0.097 63.139 63.200 0.060 0.000 1.017 513 S HN 0.415 nan 8.310 nan 0.000 0.576 514 D N 0.421 120.826 120.400 0.007 0.000 2.365 514 D HA 0.288 4.928 4.640 -0.001 0.000 0.235 514 D C -0.001 176.321 176.300 0.036 0.000 1.368 514 D CA -0.375 53.639 54.000 0.023 0.000 1.001 514 D CB 0.882 41.709 40.800 0.045 0.000 1.364 514 D HN 0.129 nan 8.370 nan 0.000 0.577 515 L N 2.701 123.930 121.223 0.010 0.000 2.537 515 L HA 0.367 4.706 4.340 -0.001 0.000 0.224 515 L C 1.386 178.274 176.870 0.029 0.000 1.065 515 L CA 0.470 55.322 54.840 0.020 0.000 0.860 515 L CB 0.347 42.393 42.059 -0.021 0.000 1.086 515 L HN 0.456 nan 8.230 nan 0.000 0.482 516 D N -0.172 120.229 120.400 0.002 0.000 2.392 516 D HA -0.201 4.438 4.640 -0.001 0.000 0.228 516 D C 1.716 178.037 176.300 0.034 0.000 1.003 516 D CA 0.437 54.437 54.000 0.001 0.000 0.917 516 D CB 0.330 41.113 40.800 -0.028 0.000 0.890 516 D HN 0.532 nan 8.370 nan 0.000 0.532 517 Q N 0.485 120.319 119.800 0.056 0.000 2.308 517 Q HA -0.174 4.165 4.340 -0.001 0.000 0.209 517 Q C 2.010 178.056 176.000 0.076 0.000 0.985 517 Q CA 0.855 56.700 55.803 0.069 0.000 0.881 517 Q CB -0.246 28.546 28.738 0.090 0.000 0.917 517 Q HN 0.331 nan 8.270 nan 0.000 0.443 518 L N 0.220 121.501 121.223 0.098 0.000 2.189 518 L HA -0.225 4.114 4.340 -0.001 0.000 0.214 518 L C 2.413 179.320 176.870 0.061 0.000 1.097 518 L CA 0.879 55.774 54.840 0.092 0.000 0.764 518 L CB -0.368 41.764 42.059 0.121 0.000 0.900 518 L HN 0.249 nan 8.230 nan 0.000 0.436 519 R N 0.422 120.956 120.500 0.056 0.000 2.185 519 R HA -0.211 4.128 4.340 -0.001 0.000 0.247 519 R C 2.035 178.382 176.300 0.077 0.000 1.159 519 R CA 1.282 57.415 56.100 0.054 0.000 0.988 519 R CB -0.560 29.765 30.300 0.042 0.000 0.871 519 R HN 0.507 nan 8.270 nan 0.000 0.458 520 K N 0.443 120.903 120.400 0.101 0.000 2.002 520 K HA -0.098 4.221 4.320 -0.001 0.000 0.209 520 K C 2.104 178.891 176.600 0.312 0.000 1.048 520 K CA 1.191 57.589 56.287 0.186 0.000 0.930 520 K CB -0.352 32.259 32.500 0.185 0.000 0.714 520 K HN 0.086 nan 8.250 nan 0.000 0.438 521 L N 1.326 122.666 121.223 0.194 0.000 2.556 521 L HA -0.181 4.158 4.340 -0.001 0.000 0.230 521 L C 2.122 179.107 176.870 0.192 0.000 1.163 521 L CA 0.172 55.132 54.840 0.199 0.000 0.819 521 L CB -0.410 41.626 42.059 -0.039 0.000 0.939 521 L HN 0.137 nan 8.230 nan 0.000 0.452 522 L N -0.424 120.881 121.223 0.138 0.000 2.056 522 L HA -0.200 4.140 4.340 -0.001 0.000 0.207 522 L C 2.810 179.715 176.870 0.058 0.000 1.078 522 L CA 2.092 56.968 54.840 0.060 0.000 0.749 522 L CB -0.574 41.514 42.059 0.048 0.000 0.901 522 L HN 0.437 nan 8.230 nan 0.000 0.433 523 S N -1.815 113.923 115.700 0.064 0.000 2.382 523 S HA -0.230 4.239 4.470 -0.001 0.000 0.228 523 S C 1.913 176.454 174.600 -0.098 0.000 1.027 523 S CA 1.148 59.302 58.200 -0.076 0.000 0.991 523 S CB -1.121 61.957 63.200 -0.204 0.000 0.823 523 S HN 0.496 nan 8.310 nan 0.000 0.469 524 Y N 2.039 122.357 120.300 0.030 0.000 2.632 524 Y HA 0.143 4.692 4.550 -0.001 0.000 0.301 524 Y C 2.317 178.230 175.900 0.022 0.000 1.172 524 Y CA -0.151 58.001 58.100 0.087 0.000 1.328 524 Y CB -0.886 37.706 38.460 0.219 0.000 1.016 524 Y HN 0.074 nan 8.280 nan 0.000 0.529 525 V N 0.310 120.259 119.914 0.058 0.000 2.217 525 V HA -0.396 3.724 4.120 -0.001 0.000 0.248 525 V C 2.231 178.342 176.094 0.028 0.000 1.050 525 V CA 2.273 64.558 62.300 -0.025 0.000 1.007 525 V CB -0.563 31.240 31.823 -0.032 0.000 0.639 525 V HN 0.391 nan 8.190 nan 0.000 0.452 526 D N -0.157 120.261 120.400 0.031 0.000 2.192 526 D HA -0.207 4.432 4.640 -0.001 0.000 0.189 526 D C 1.024 177.362 176.300 0.063 0.000 1.007 526 D CA 1.608 55.630 54.000 0.036 0.000 0.859 526 D CB -0.550 40.262 40.800 0.021 0.000 0.936 526 D HN 0.667 nan 8.370 nan 0.000 0.447 527 D N 1.007 121.461 120.400 0.091 0.000 2.819 527 D HA -0.151 4.488 4.640 -0.001 0.000 0.236 527 D C 0.639 177.017 176.300 0.130 0.000 1.181 527 D CA 0.496 54.566 54.000 0.117 0.000 0.855 527 D CB 0.294 41.199 40.800 0.175 0.000 1.146 527 D HN 0.079 nan 8.370 nan 0.000 0.540 528 E N 2.659 122.911 120.200 0.087 0.000 2.461 528 E HA -0.038 4.312 4.350 -0.001 0.000 0.196 528 E C 1.142 177.791 176.600 0.082 0.000 1.129 528 E CA 0.285 56.732 56.400 0.080 0.000 0.902 528 E CB 0.061 29.792 29.700 0.051 0.000 0.963 528 E HN 0.637 nan 8.360 nan 0.000 0.503 529 A N 0.251 123.130 122.820 0.099 0.000 1.871 529 A HA -0.064 4.256 4.320 -0.001 0.000 0.211 529 A C 1.658 179.307 177.584 0.108 0.000 1.207 529 A CA 0.258 52.335 52.037 0.065 0.000 0.620 529 A CB -0.486 18.529 19.000 0.025 0.000 0.860 529 A HN 0.388 nan 8.150 nan 0.000 0.450 530 F N 0.478 120.452 119.950 0.041 0.000 2.161 530 F HA -0.168 4.358 4.527 -0.001 0.000 0.300 530 F C 1.923 177.744 175.800 0.035 0.000 1.089 530 F CA 0.917 58.939 58.000 0.037 0.000 1.282 530 F CB -0.423 38.611 39.000 0.057 0.000 1.010 530 F HN 0.132 nan 8.300 nan 0.000 0.485 531 I N 0.507 121.246 120.570 0.282 0.000 2.069 531 I HA -0.350 3.819 4.170 -0.001 0.000 0.237 531 I C 2.491 178.689 176.117 0.135 0.000 1.053 531 I CA 1.996 63.397 61.300 0.168 0.000 1.311 531 I CB -0.744 37.320 38.000 0.107 0.000 1.030 531 I HN 0.063 nan 8.210 nan 0.000 0.398 532 R N 0.125 120.683 120.500 0.096 0.000 2.120 532 R HA -0.127 4.212 4.340 -0.001 0.000 0.234 532 R C 1.757 178.093 176.300 0.060 0.000 1.123 532 R CA 1.565 57.701 56.100 0.060 0.000 0.975 532 R CB -1.382 28.938 30.300 0.033 0.000 0.866 532 R HN 0.292 nan 8.270 nan 0.000 0.446 533 D N 0.428 120.869 120.400 0.069 0.000 2.103 533 D HA -0.160 4.480 4.640 -0.001 0.000 0.190 533 D C 1.775 178.117 176.300 0.070 0.000 0.997 533 D CA 1.877 55.893 54.000 0.027 0.000 0.833 533 D CB -0.022 40.736 40.800 -0.070 0.000 0.961 533 D HN 0.048 nan 8.370 nan 0.000 0.447 534 V N 0.292 120.307 119.914 0.168 0.000 2.358 534 V HA -0.191 3.929 4.120 -0.001 0.000 0.246 534 V C 2.224 178.391 176.094 0.121 0.000 1.047 534 V CA 1.762 64.172 62.300 0.184 0.000 1.035 534 V CB -0.617 31.363 31.823 0.262 0.000 0.658 534 V HN 0.314 nan 8.190 nan 0.000 0.452 535 A N -0.720 122.160 122.820 0.100 0.000 2.172 535 A HA -0.208 4.111 4.320 -0.001 0.000 0.216 535 A C 2.195 179.796 177.584 0.028 0.000 1.154 535 A CA 1.845 53.917 52.037 0.059 0.000 0.701 535 A CB -0.385 18.633 19.000 0.030 0.000 0.789 535 A HN 0.577 nan 8.150 nan 0.000 0.465 536 K N -0.256 120.163 120.400 0.032 0.000 1.980 536 K HA -0.062 4.258 4.320 -0.001 0.000 0.208 536 K C 1.781 178.395 176.600 0.023 0.000 1.043 536 K CA 1.557 57.853 56.287 0.015 0.000 0.938 536 K CB -0.413 32.092 32.500 0.009 0.000 0.724 536 K HN 0.116 nan 8.250 nan 0.000 0.438 537 V N 1.699 121.637 119.914 0.040 0.000 2.250 537 V HA -0.347 3.773 4.120 -0.001 0.000 0.253 537 V C 2.376 178.498 176.094 0.047 0.000 1.065 537 V CA 2.386 64.714 62.300 0.046 0.000 1.039 537 V CB -0.541 31.322 31.823 0.066 0.000 0.647 537 V HN 0.379 nan 8.190 nan 0.000 0.446 538 K N -0.050 120.383 120.400 0.054 0.000 2.097 538 K HA -0.188 4.131 4.320 -0.001 0.000 0.205 538 K C 2.326 178.921 176.600 -0.009 0.000 1.050 538 K CA 1.578 57.890 56.287 0.042 0.000 0.938 538 K CB -0.295 32.242 32.500 0.061 0.000 0.718 538 K HN 0.770 nan 8.250 nan 0.000 0.442 539 Q N 0.013 119.800 119.800 -0.023 0.000 2.187 539 Q HA -0.137 4.202 4.340 -0.001 0.000 0.199 539 Q C 1.347 177.333 176.000 -0.023 0.000 0.957 539 Q CA 1.308 57.079 55.803 -0.054 0.000 0.857 539 Q CB -0.082 28.626 28.738 -0.050 0.000 0.929 539 Q HN 0.364 nan 8.270 nan 0.000 0.453 540 E N 1.107 121.309 120.200 0.004 0.000 2.046 540 E HA -0.131 4.218 4.350 -0.001 0.000 0.190 540 E C 1.797 178.426 176.600 0.048 0.000 0.982 540 E CA 1.117 57.529 56.400 0.020 0.000 0.800 540 E CB -0.061 29.652 29.700 0.021 0.000 0.756 540 E HN 0.487 nan 8.360 nan 0.000 0.449 541 N N 0.761 119.497 118.700 0.060 0.000 2.104 541 N HA -0.158 4.581 4.740 -0.001 0.000 0.190 541 N C 1.359 176.975 175.510 0.176 0.000 1.024 541 N CA 1.148 54.262 53.050 0.107 0.000 0.853 541 N CB 0.115 38.657 38.487 0.092 0.000 1.008 541 N HN -0.024 nan 8.380 nan 0.000 0.424 542 K N -0.183 120.279 120.400 0.104 0.000 2.525 542 K HA 0.018 4.337 4.320 -0.001 0.000 0.192 542 K C 0.847 177.519 176.600 0.120 0.000 1.029 542 K CA 0.142 56.492 56.287 0.104 0.000 1.029 542 K CB 0.346 32.641 32.500 -0.342 0.000 0.814 542 K HN 0.174 nan 8.250 nan 0.000 0.503 543 L N 0.632 121.910 121.223 0.092 0.000 2.349 543 L HA 0.054 4.394 4.340 -0.001 0.000 0.200 543 L C 1.915 178.845 176.870 0.100 0.000 1.064 543 L CA 1.362 56.247 54.840 0.076 0.000 0.821 543 L CB -0.354 41.727 42.059 0.036 0.000 1.027 543 L HN 0.009 nan 8.230 nan 0.000 0.476 544 K N -0.915 119.554 120.400 0.115 0.000 2.026 544 K HA -0.220 4.099 4.320 -0.001 0.000 0.208 544 K C 2.069 178.773 176.600 0.173 0.000 1.048 544 K CA 1.625 57.984 56.287 0.120 0.000 0.929 544 K CB -0.182 32.383 32.500 0.109 0.000 0.713 544 K HN 0.092 nan 8.250 nan 0.000 0.439 545 F N 1.000 121.036 119.950 0.144 0.000 2.293 545 F HA 0.019 4.545 4.527 -0.001 0.000 0.297 545 F C 1.846 177.787 175.800 0.234 0.000 1.089 545 F CA 0.927 59.050 58.000 0.204 0.000 1.377 545 F CB -0.146 38.977 39.000 0.204 0.000 1.051 545 F HN -0.054 nan 8.300 nan 0.000 0.511 546 A N -0.252 122.686 122.820 0.197 0.000 2.209 546 A HA 0.225 4.544 4.320 -0.001 0.000 0.212 546 A C 2.145 179.726 177.584 -0.006 0.000 1.158 546 A CA 1.105 53.205 52.037 0.104 0.000 0.742 546 A CB -1.162 17.972 19.000 0.223 0.000 0.790 546 A HN 0.434 nan 8.150 nan 0.000 0.472 547 A N -1.061 121.759 122.820 -0.001 0.000 1.862 547 A HA 0.088 4.408 4.320 -0.001 0.000 0.211 547 A C 1.981 179.529 177.584 -0.060 0.000 1.220 547 A CA 1.158 53.191 52.037 -0.008 0.000 0.616 547 A CB -0.939 18.081 19.000 0.033 0.000 0.878 547 A HN 0.632 nan 8.150 nan 0.000 0.453 548 Y N 0.443 120.631 120.300 -0.187 0.000 2.181 548 Y HA -0.253 4.296 4.550 -0.001 0.000 0.284 548 Y C 1.889 177.603 175.900 -0.310 0.000 1.179 548 Y CA 1.613 59.575 58.100 -0.230 0.000 1.179 548 Y CB -0.331 37.993 38.460 -0.227 0.000 0.973 548 Y HN 0.193 nan 8.280 nan 0.000 0.519 549 L N 0.935 121.833 121.223 -0.543 0.000 1.971 549 L HA -0.244 4.096 4.340 -0.001 0.000 0.215 549 L C 2.348 179.013 176.870 -0.342 0.000 1.072 549 L CA 2.118 56.648 54.840 -0.517 0.000 0.758 549 L CB -1.268 40.564 42.059 -0.379 0.000 0.889 549 L HN 0.345 nan 8.230 nan 0.000 0.433 550 E N -1.365 118.707 120.200 -0.214 0.000 2.347 550 E HA -0.165 4.184 4.350 -0.001 0.000 0.196 550 E C 2.201 178.714 176.600 -0.144 0.000 1.008 550 E CA 0.170 56.495 56.400 -0.125 0.000 0.852 550 E CB 0.137 29.802 29.700 -0.058 0.000 0.783 550 E HN 0.404 nan 8.360 nan 0.000 0.505 551 R N 1.167 121.540 120.500 -0.212 0.000 2.051 551 R HA -0.036 4.303 4.340 -0.001 0.000 0.225 551 R C 0.245 176.380 176.300 -0.274 0.000 1.155 551 R CA 0.793 56.783 56.100 -0.184 0.000 0.945 551 R CB 0.228 30.448 30.300 -0.133 0.000 0.840 551 R HN -0.093 nan 8.270 nan 0.000 0.432 552 E N 0.269 120.149 120.200 -0.534 0.000 2.146 552 E HA 0.210 4.559 4.350 -0.001 0.000 0.282 552 E C -1.078 175.073 176.600 -0.747 0.000 0.989 552 E CA -0.237 55.734 56.400 -0.716 0.000 0.799 552 E CB 0.345 29.476 29.700 -0.949 0.000 1.088 552 E HN 0.064 nan 8.360 nan 0.000 0.397 553 Y N 0.828 121.040 120.300 -0.146 0.000 2.928 553 Y HA -0.345 4.204 4.550 -0.001 0.000 0.464 553 Y C -0.186 175.653 175.900 -0.101 0.000 1.218 553 Y CA 0.145 58.190 58.100 -0.092 0.000 2.424 553 Y CB -1.160 37.253 38.460 -0.078 0.000 1.255 553 Y HN 0.483 nan 8.280 nan 0.000 0.636 554 K N -1.723 118.722 120.400 0.075 0.000 2.610 554 K HA 0.714 5.033 4.320 -0.001 0.000 0.278 554 K C -0.447 176.175 176.600 0.037 0.000 0.964 554 K CA -0.090 56.207 56.287 0.015 0.000 0.859 554 K CB 2.216 34.729 32.500 0.022 0.000 1.434 554 K HN 0.599 nan 8.250 nan 0.000 0.410 555 V N -2.605 117.330 119.914 0.034 0.000 3.110 555 V HA 0.332 4.451 4.120 -0.001 0.000 0.233 555 V C 0.113 176.278 176.094 0.119 0.000 1.550 555 V CA 0.439 62.776 62.300 0.062 0.000 1.186 555 V CB -0.255 31.589 31.823 0.034 0.000 1.052 555 V HN 1.050 nan 8.190 nan 0.000 0.452 556 H N 1.767 120.836 119.070 -0.001 0.000 3.398 556 H HA -0.102 4.453 4.556 -0.001 0.000 0.352 556 H C -1.122 174.223 175.328 0.027 0.000 1.083 556 H CA 0.525 56.575 56.048 0.005 0.000 1.109 556 H CB -0.910 28.845 29.762 -0.013 0.000 1.546 556 H HN 0.651 nan 8.280 nan 0.000 0.385 557 I N 1.857 122.380 120.570 -0.078 0.000 3.264 557 I HA 0.189 4.358 4.170 -0.001 0.000 0.309 557 I C 1.440 177.523 176.117 -0.056 0.000 1.099 557 I CA -1.070 60.188 61.300 -0.071 0.000 0.989 557 I CB 1.330 39.366 38.000 0.060 0.000 1.250 557 I HN 0.371 nan 8.210 nan 0.000 0.478 558 N N 0.914 119.636 118.700 0.037 0.000 2.463 558 N HA 0.023 4.762 4.740 -0.001 0.000 0.181 558 N C -1.395 174.131 175.510 0.026 0.000 1.078 558 N CA -0.116 52.953 53.050 0.032 0.000 0.902 558 N CB -0.345 38.182 38.487 0.067 0.000 0.970 558 N HN 0.471 nan 8.380 nan 0.000 0.451 559 P HA -0.349 nan 4.420 nan 0.000 0.237 559 P C 0.460 177.590 177.300 -0.284 0.000 1.011 559 P CA 2.231 65.303 63.100 -0.046 0.000 1.059 559 P CB -0.570 31.104 31.700 -0.044 0.000 0.692 560 N N -1.411 117.200 118.700 -0.148 0.000 2.192 560 N HA -0.119 4.620 4.740 -0.001 0.000 0.188 560 N C 0.636 176.080 175.510 -0.111 0.000 1.013 560 N CA 1.011 53.974 53.050 -0.145 0.000 0.863 560 N CB -1.016 37.433 38.487 -0.063 0.000 0.990 560 N HN 0.113 nan 8.380 nan 0.000 0.430 561 S N -0.094 115.585 115.700 -0.035 0.000 2.758 561 S HA -0.184 4.286 4.470 -0.001 0.000 0.268 561 S C 0.258 174.871 174.600 0.021 0.000 1.427 561 S CA -0.169 58.084 58.200 0.088 0.000 1.043 561 S CB 0.034 63.419 63.200 0.309 0.000 0.794 561 S HN 0.365 nan 8.310 nan 0.000 0.479 562 L N 1.768 122.914 121.223 -0.127 0.000 2.313 562 L HA 0.291 4.631 4.340 -0.001 0.000 0.282 562 L C -0.891 175.947 176.870 -0.054 0.000 1.092 562 L CA -0.184 54.289 54.840 -0.612 0.000 0.831 562 L CB 0.040 41.746 42.059 -0.588 0.000 1.159 562 L HN 0.461 nan 8.230 nan 0.000 0.442 563 F N 3.412 123.141 119.950 -0.368 0.000 2.351 563 F HA 0.217 4.743 4.527 -0.001 0.000 0.362 563 F C 0.283 176.006 175.800 -0.128 0.000 1.131 563 F CA -1.069 56.834 58.000 -0.162 0.000 1.187 563 F CB 0.336 39.291 39.000 -0.075 0.000 1.434 563 F HN 0.360 nan 8.300 nan 0.000 0.553 564 D N 3.784 124.155 120.400 -0.048 0.000 2.359 564 D HA 0.431 5.071 4.640 -0.001 0.000 0.230 564 D C -0.950 175.285 176.300 -0.109 0.000 1.118 564 D CA 0.057 54.005 54.000 -0.088 0.000 0.844 564 D CB 1.093 41.829 40.800 -0.107 0.000 1.059 564 D HN 0.229 nan 8.370 nan 0.000 0.493 565 V N 1.709 121.558 119.914 -0.109 0.000 2.841 565 V HA 0.741 4.861 4.120 -0.001 0.000 0.310 565 V C -1.116 174.868 176.094 -0.183 0.000 1.090 565 V CA -1.042 61.188 62.300 -0.116 0.000 0.930 565 V CB 1.614 33.425 31.823 -0.019 0.000 1.014 565 V HN 0.497 nan 8.190 nan 0.000 0.425 566 Q N 2.983 122.683 119.800 -0.166 0.000 2.295 566 Q HA 0.722 5.061 4.340 -0.001 0.000 0.259 566 Q C -1.458 174.411 176.000 -0.219 0.000 0.966 566 Q CA -0.729 54.956 55.803 -0.196 0.000 0.763 566 Q CB 2.149 30.801 28.738 -0.144 0.000 1.283 566 Q HN 1.646 nan 8.270 nan 0.000 0.445 567 V N 0.751 120.507 119.914 -0.263 0.000 2.340 567 V HA 0.681 4.800 4.120 -0.001 0.000 0.277 567 V C -0.602 175.218 176.094 -0.457 0.000 1.017 567 V CA -0.390 61.607 62.300 -0.505 0.000 0.820 567 V CB 0.551 31.866 31.823 -0.847 0.000 1.028 567 V HN 0.800 nan 8.190 nan 0.000 0.436 568 K N 2.279 122.494 120.400 -0.309 0.000 2.137 568 K HA 0.657 4.976 4.320 -0.001 0.000 0.251 568 K C -0.668 175.907 176.600 -0.042 0.000 1.048 568 K CA -1.325 54.880 56.287 -0.137 0.000 0.873 568 K CB 2.111 34.539 32.500 -0.120 0.000 1.442 568 K HN 0.579 nan 8.250 nan 0.000 0.467 569 R N 1.180 121.711 120.500 0.051 0.000 2.490 569 R HA 0.207 4.546 4.340 -0.001 0.000 0.278 569 R C -0.316 176.062 176.300 0.130 0.000 1.069 569 R CA -0.375 55.807 56.100 0.138 0.000 1.080 569 R CB 0.355 30.791 30.300 0.227 0.000 1.030 569 R HN 0.356 nan 8.270 nan 0.000 0.491 570 I N 5.054 125.711 120.570 0.146 0.000 2.421 570 I HA 0.149 4.318 4.170 -0.001 0.000 0.291 570 I C -0.238 175.964 176.117 0.141 0.000 1.089 570 I CA 0.388 61.751 61.300 0.104 0.000 1.354 570 I CB -0.202 37.849 38.000 0.085 0.000 1.413 570 I HN 0.620 nan 8.210 nan 0.000 0.513 571 H N 5.111 124.199 119.070 0.030 0.000 3.155 571 H HA 0.164 4.719 4.556 -0.001 0.000 0.328 571 H C 0.620 176.004 175.328 0.094 0.000 1.059 571 H CA -0.553 55.570 56.048 0.126 0.000 1.378 571 H CB 1.024 30.966 29.762 0.300 0.000 1.998 571 H HN 0.610 nan 8.280 nan 0.000 0.480 572 E N 2.431 122.884 120.200 0.422 0.000 2.196 572 E HA -0.331 4.018 4.350 -0.001 0.000 0.222 572 E C 0.852 177.329 176.600 -0.205 0.000 1.072 572 E CA 2.590 59.088 56.400 0.163 0.000 0.902 572 E CB -0.229 29.676 29.700 0.342 0.000 0.780 572 E HN 0.614 nan 8.360 nan 0.000 0.467 573 Y N -0.148 119.594 120.300 -0.929 0.000 2.553 573 Y HA 0.222 4.771 4.550 -0.001 0.000 0.303 573 Y C 0.955 176.521 175.900 -0.557 0.000 1.194 573 Y CA 0.288 57.663 58.100 -1.208 0.000 1.305 573 Y CB -0.053 37.427 38.460 -1.633 0.000 1.045 573 Y HN -0.164 nan 8.280 nan 0.000 0.514 574 K N 0.344 120.363 120.400 -0.634 0.000 2.373 574 K HA 0.219 4.538 4.320 -0.001 0.000 0.200 574 K C -0.039 176.404 176.600 -0.261 0.000 1.054 574 K CA -0.194 55.783 56.287 -0.517 0.000 1.065 574 K CB 0.420 32.667 32.500 -0.422 0.000 0.886 574 K HN 0.039 nan 8.250 nan 0.000 0.546 575 R N 1.298 121.687 120.500 -0.184 0.000 3.336 575 R HA -0.164 4.175 4.340 -0.001 0.000 0.260 575 R C 0.628 176.880 176.300 -0.081 0.000 1.032 575 R CA 0.373 56.410 56.100 -0.106 0.000 0.693 575 R CB -1.708 28.524 30.300 -0.113 0.000 1.134 575 R HN 0.248 nan 8.270 nan 0.000 0.433 576 Q N -0.008 119.757 119.800 -0.058 0.000 2.181 576 Q HA -0.156 4.183 4.340 -0.001 0.000 0.205 576 Q C 1.759 177.740 176.000 -0.032 0.000 0.980 576 Q CA 1.643 57.424 55.803 -0.037 0.000 0.862 576 Q CB -0.095 28.635 28.738 -0.013 0.000 0.905 576 Q HN 0.609 nan 8.270 nan 0.000 0.429 577 L N 0.229 121.436 121.223 -0.026 0.000 2.042 577 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 577 L C 2.351 179.234 176.870 0.022 0.000 1.076 577 L CA 0.823 55.660 54.840 -0.005 0.000 0.749 577 L CB -0.681 41.387 42.059 0.015 0.000 0.893 577 L HN 0.184 nan 8.230 nan 0.000 0.432 578 L N 0.043 121.253 121.223 -0.022 0.000 2.046 578 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 578 L C 2.018 178.860 176.870 -0.046 0.000 1.077 578 L CA 1.880 56.665 54.840 -0.093 0.000 0.747 578 L CB -0.932 40.952 42.059 -0.292 0.000 0.896 578 L HN 0.265 nan 8.230 nan 0.000 0.432 579 N N -1.472 117.222 118.700 -0.010 0.000 2.000 579 N HA -0.255 4.484 4.740 -0.001 0.000 0.198 579 N C 1.986 177.559 175.510 0.105 0.000 1.057 579 N CA 2.653 55.780 53.050 0.129 0.000 0.858 579 N CB -0.311 38.210 38.487 0.056 0.000 1.057 579 N HN 0.498 nan 8.380 nan 0.000 0.423 580 C N 0.422 119.736 119.300 0.023 0.000 2.375 580 C HA -0.175 4.284 4.460 -0.001 0.000 0.274 580 C C 2.599 177.618 174.990 0.049 0.000 1.190 580 C CA 0.638 59.643 59.018 -0.021 0.000 1.775 580 C CB -1.573 26.107 27.740 -0.100 0.000 2.067 580 C HN 0.457 nan 8.230 nan 0.000 0.463 581 L N -0.459 120.842 121.223 0.130 0.000 1.990 581 L HA -0.250 4.089 4.340 -0.001 0.000 0.213 581 L C 2.681 179.695 176.870 0.240 0.000 1.072 581 L CA 2.342 57.329 54.840 0.244 0.000 0.755 581 L CB -1.104 41.187 42.059 0.387 0.000 0.889 581 L HN 0.563 nan 8.230 nan 0.000 0.432 582 H N -0.462 118.628 119.070 0.033 0.000 2.352 582 H HA -0.139 4.417 4.556 -0.001 0.000 0.299 582 H C 2.055 177.385 175.328 0.002 0.000 1.097 582 H CA 1.617 57.637 56.048 -0.047 0.000 1.311 582 H CB 0.323 30.081 29.762 -0.005 0.000 1.377 582 H HN 0.138 nan 8.280 nan 0.000 0.504 583 V N 1.062 120.974 119.914 -0.003 0.000 3.217 583 V HA -0.122 3.997 4.120 -0.001 0.000 0.264 583 V C 2.114 178.242 176.094 0.057 0.000 1.135 583 V CA 0.929 63.171 62.300 -0.096 0.000 1.142 583 V CB -0.173 31.596 31.823 -0.091 0.000 0.754 583 V HN 0.402 nan 8.190 nan 0.000 0.484 584 I N -0.159 120.492 120.570 0.134 0.000 3.228 584 I HA -0.079 4.090 4.170 -0.001 0.000 0.279 584 I C 2.380 178.629 176.117 0.220 0.000 1.221 584 I CA 0.893 62.339 61.300 0.244 0.000 1.458 584 I CB -0.399 37.767 38.000 0.277 0.000 1.105 584 I HN 0.289 nan 8.210 nan 0.000 0.445 585 T N 1.163 115.831 114.554 0.190 0.000 2.708 585 T HA -0.144 4.205 4.350 -0.001 0.000 0.266 585 T C 1.862 176.619 174.700 0.095 0.000 1.037 585 T CA 1.145 63.344 62.100 0.165 0.000 1.146 585 T CB -0.355 68.637 68.868 0.207 0.000 0.865 585 T HN 0.066 nan 8.240 nan 0.000 0.435 586 L N 0.135 121.387 121.223 0.048 0.000 1.994 586 L HA 0.007 4.346 4.340 -0.001 0.000 0.208 586 L C 2.310 179.213 176.870 0.055 0.000 1.071 586 L CA 1.503 56.340 54.840 -0.006 0.000 0.745 586 L CB -1.287 40.702 42.059 -0.118 0.000 0.892 586 L HN 0.302 nan 8.230 nan 0.000 0.431 587 Y N 0.555 120.867 120.300 0.020 0.000 2.165 587 Y HA -0.301 4.248 4.550 -0.001 0.000 0.286 587 Y C 2.348 178.289 175.900 0.069 0.000 1.155 587 Y CA 2.078 60.217 58.100 0.063 0.000 1.164 587 Y CB -0.372 38.169 38.460 0.135 0.000 0.978 587 Y HN 0.292 nan 8.280 nan 0.000 0.513 588 N N -0.019 118.679 118.700 -0.004 0.000 2.188 588 N HA -0.144 4.595 4.740 -0.001 0.000 0.184 588 N C 1.982 177.433 175.510 -0.098 0.000 1.018 588 N CA 1.559 54.554 53.050 -0.092 0.000 0.858 588 N CB -0.356 38.140 38.487 0.015 0.000 0.989 588 N HN 0.456 nan 8.380 nan 0.000 0.426 589 R N 1.047 121.517 120.500 -0.050 0.000 2.093 589 R HA 0.069 4.408 4.340 -0.001 0.000 0.224 589 R C 1.789 178.051 176.300 -0.063 0.000 1.101 589 R CA 0.950 57.024 56.100 -0.044 0.000 0.979 589 R CB -0.797 29.494 30.300 -0.015 0.000 0.877 589 R HN 0.239 nan 8.270 nan 0.000 0.441 590 I N 1.182 121.703 120.570 -0.082 0.000 2.614 590 I HA -0.179 3.990 4.170 -0.001 0.000 0.258 590 I C 2.641 178.696 176.117 -0.103 0.000 1.189 590 I CA 1.129 62.379 61.300 -0.082 0.000 1.462 590 I CB -0.069 37.883 38.000 -0.079 0.000 1.092 590 I HN 0.301 nan 8.210 nan 0.000 0.442 591 K N 1.109 121.406 120.400 -0.171 0.000 2.067 591 K HA -0.175 4.144 4.320 -0.001 0.000 0.203 591 K C 2.191 178.731 176.600 -0.100 0.000 1.048 591 K CA 0.795 56.971 56.287 -0.184 0.000 0.954 591 K CB 0.036 32.328 32.500 -0.347 0.000 0.737 591 K HN 0.048 nan 8.250 nan 0.000 0.444 592 K N 1.163 121.511 120.400 -0.087 0.000 2.015 592 K HA -0.198 4.121 4.320 -0.001 0.000 0.220 592 K C -0.269 176.312 176.600 -0.031 0.000 1.055 592 K CA 1.857 58.115 56.287 -0.049 0.000 0.951 592 K CB -0.079 32.395 32.500 -0.044 0.000 0.725 592 K HN 0.022 nan 8.250 nan 0.000 0.449 593 E N 1.087 121.271 120.200 -0.026 0.000 1.993 593 E HA 0.112 4.461 4.350 -0.001 0.000 0.271 593 E C -1.970 174.621 176.600 -0.014 0.000 1.008 593 E CA -2.089 54.305 56.400 -0.011 0.000 0.814 593 E CB 1.655 31.355 29.700 -0.000 0.000 1.098 593 E HN 0.281 nan 8.360 nan 0.000 0.407 594 P HA -0.149 nan 4.420 nan 0.000 0.234 594 P C -0.193 177.112 177.300 0.010 0.000 1.162 594 P CA 1.061 64.154 63.100 -0.012 0.000 0.759 594 P CB 0.378 32.073 31.700 -0.008 0.000 0.813 595 N N -0.756 117.956 118.700 0.021 0.000 2.184 595 N HA 0.041 4.780 4.740 -0.001 0.000 0.206 595 N C 0.572 176.125 175.510 0.071 0.000 1.151 595 N CA -0.386 52.692 53.050 0.046 0.000 0.878 595 N CB 0.288 38.799 38.487 0.040 0.000 1.014 595 N HN -0.026 nan 8.380 nan 0.000 0.512 596 K N 2.310 122.737 120.400 0.045 0.000 2.046 596 K HA -0.064 4.255 4.320 -0.001 0.000 0.248 596 K C -0.418 176.217 176.600 0.058 0.000 1.123 596 K CA 0.122 56.436 56.287 0.044 0.000 1.145 596 K CB -0.675 31.825 32.500 0.001 0.000 1.028 596 K HN 0.099 nan 8.250 nan 0.000 0.354 597 F N 3.574 123.526 119.950 0.002 0.000 2.607 597 F HA 0.101 4.628 4.527 -0.001 0.000 0.374 597 F C -0.318 175.488 175.800 0.010 0.000 1.104 597 F CA 0.166 58.169 58.000 0.006 0.000 1.296 597 F CB 0.531 39.534 39.000 0.006 0.000 1.085 597 F HN 0.103 nan 8.300 nan 0.000 0.584 598 V N 5.751 125.038 119.914 -1.046 0.000 3.204 598 V HA 0.245 4.365 4.120 -0.001 0.000 0.298 598 V C -1.111 174.489 176.094 -0.824 0.000 1.328 598 V CA -1.102 60.627 62.300 -0.951 0.000 1.035 598 V CB 2.428 34.030 31.823 -0.368 0.000 1.095 598 V HN 0.625 nan 8.190 nan 0.000 0.442 599 V N 5.373 124.977 119.914 -0.517 0.000 2.434 599 V HA 0.135 4.254 4.120 -0.001 0.000 0.281 599 V C -2.212 173.824 176.094 -0.097 0.000 1.005 599 V CA -0.668 61.536 62.300 -0.161 0.000 1.089 599 V CB 0.491 32.306 31.823 -0.012 0.000 0.978 599 V HN 0.703 nan 8.190 nan 0.000 0.474 600 P HA 0.300 nan 4.420 nan 0.000 0.270 600 P C -0.348 176.949 177.300 -0.005 0.000 1.242 600 P CA 0.035 63.127 63.100 -0.013 0.000 0.768 600 P CB 0.415 32.131 31.700 0.026 0.000 0.820 601 R N 1.859 122.338 120.500 -0.035 0.000 2.664 601 R HA 0.652 4.992 4.340 -0.001 0.000 0.286 601 R C -0.295 175.991 176.300 -0.023 0.000 0.967 601 R CA -0.630 55.444 56.100 -0.043 0.000 0.933 601 R CB 1.316 31.551 30.300 -0.109 0.000 1.146 601 R HN 0.250 nan 8.270 nan 0.000 0.468 602 T N 1.988 116.531 114.554 -0.018 0.000 2.791 602 T HA 0.305 4.654 4.350 -0.001 0.000 0.288 602 T C -0.395 174.189 174.700 -0.192 0.000 0.999 602 T CA -0.702 61.329 62.100 -0.116 0.000 0.952 602 T CB 1.262 70.012 68.868 -0.198 0.000 0.938 602 T HN 0.250 nan 8.240 nan 0.000 0.444 603 V N 3.772 123.602 119.914 -0.140 0.000 2.394 603 V HA 0.588 4.707 4.120 -0.001 0.000 0.282 603 V C -0.209 175.816 176.094 -0.115 0.000 1.031 603 V CA -0.827 61.398 62.300 -0.125 0.000 0.881 603 V CB 0.928 32.694 31.823 -0.095 0.000 0.982 603 V HN 0.859 nan 8.190 nan 0.000 0.451 604 M N 5.799 125.325 119.600 -0.123 0.000 2.134 604 M HA 0.596 5.075 4.480 -0.001 0.000 0.310 604 M C -0.988 175.233 176.300 -0.133 0.000 0.966 604 M CA -0.026 55.209 55.300 -0.109 0.000 0.922 604 M CB 2.005 34.548 32.600 -0.094 0.000 1.537 604 M HN 0.516 nan 8.290 nan 0.000 0.424 605 I N 2.001 122.481 120.570 -0.150 0.000 2.441 605 I HA 0.907 5.076 4.170 -0.001 0.000 0.295 605 I C 0.237 176.068 176.117 -0.478 0.000 0.994 605 I CA -0.178 61.010 61.300 -0.188 0.000 1.144 605 I CB 2.092 40.084 38.000 -0.012 0.000 1.314 605 I HN 0.784 nan 8.210 nan 0.000 0.445 606 G N 3.084 111.612 108.800 -0.454 0.000 2.503 606 G HA2 0.604 4.563 3.960 -0.001 0.000 0.305 606 G HA3 0.604 4.563 3.960 -0.001 0.000 0.305 606 G C -1.269 173.427 174.900 -0.340 0.000 1.575 606 G CA -0.147 44.589 45.100 -0.606 0.000 0.890 606 G HN 0.950 nan 8.290 nan 0.000 0.612 607 G N 0.114 108.841 108.800 -0.122 0.000 2.466 607 G HA2 0.605 4.564 3.960 -0.001 0.000 0.291 607 G HA3 0.605 4.564 3.960 -0.001 0.000 0.291 607 G C -1.028 173.989 174.900 0.195 0.000 1.460 607 G CA -0.912 44.239 45.100 0.086 0.000 0.791 607 G HN 0.649 nan 8.290 nan 0.000 0.505 608 K N -0.314 120.226 120.400 0.233 0.000 2.117 608 K HA 0.711 5.030 4.320 -0.001 0.000 0.240 608 K C 1.215 178.001 176.600 0.311 0.000 1.031 608 K CA 0.164 56.632 56.287 0.303 0.000 0.909 608 K CB 1.521 34.151 32.500 0.216 0.000 1.097 608 K HN 0.573 nan 8.250 nan 0.000 0.492 609 A N 0.796 123.837 122.820 0.369 0.000 1.922 609 A HA 0.610 4.930 4.320 -0.001 0.000 0.216 609 A C -0.280 177.502 177.584 0.330 0.000 1.370 609 A CA 0.877 53.074 52.037 0.267 0.000 0.627 609 A CB -0.255 18.852 19.000 0.179 0.000 1.060 609 A HN 0.856 nan 8.150 nan 0.000 0.487 610 A N -1.845 121.188 122.820 0.354 0.000 1.508 610 A HA 0.407 4.726 4.320 -0.001 0.000 0.431 610 A C -3.197 174.504 177.584 0.194 0.000 0.186 610 A CA -0.754 51.468 52.037 0.309 0.000 0.317 610 A CB -1.698 17.473 19.000 0.285 0.000 2.389 610 A HN 0.170 nan 8.150 nan 0.000 0.419 611 P HA 0.368 nan 4.420 nan 0.000 0.265 611 P C 1.099 178.429 177.300 0.051 0.000 1.187 611 P CA 2.323 65.420 63.100 -0.005 0.000 0.766 611 P CB 0.603 32.257 31.700 -0.077 0.000 0.820 612 G N 1.660 110.493 108.800 0.054 0.000 2.324 612 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.292 612 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.292 612 G C -0.784 174.199 174.900 0.138 0.000 1.079 612 G CA -0.319 44.819 45.100 0.062 0.000 1.026 612 G HN 0.507 nan 8.290 nan 0.000 0.506 613 Y N -0.416 119.903 120.300 0.033 0.000 2.287 613 Y HA 0.447 4.996 4.550 -0.001 0.000 0.325 613 Y C 0.507 176.467 175.900 0.100 0.000 1.139 613 Y CA -1.504 56.625 58.100 0.048 0.000 1.167 613 Y CB 0.623 39.091 38.460 0.014 0.000 1.158 613 Y HN 0.338 nan 8.280 nan 0.000 0.434 614 H N 3.401 122.610 119.070 0.233 0.000 2.486 614 H HA 0.066 4.621 4.556 -0.001 0.000 0.287 614 H C 1.692 177.061 175.328 0.069 0.000 1.010 614 H CA 1.756 57.870 56.048 0.109 0.000 1.324 614 H CB 0.549 30.364 29.762 0.089 0.000 1.446 614 H HN 0.634 nan 8.280 nan 0.000 0.537 615 M N 0.111 119.760 119.600 0.083 0.000 2.123 615 M HA 0.113 4.593 4.480 -0.001 0.000 0.263 615 M C 1.947 178.080 176.300 -0.277 0.000 1.069 615 M CA 1.537 56.808 55.300 -0.047 0.000 1.133 615 M CB -0.091 32.555 32.600 0.077 0.000 1.356 615 M HN 0.288 nan 8.290 nan 0.000 0.415 616 A N -0.976 121.397 122.820 -0.746 0.000 2.258 616 A HA -0.029 4.290 4.320 -0.001 0.000 0.206 616 A C 1.847 179.276 177.584 -0.258 0.000 1.222 616 A CA 0.841 52.493 52.037 -0.642 0.000 0.822 616 A CB -0.692 17.642 19.000 -1.111 0.000 0.804 616 A HN 0.538 nan 8.150 nan 0.000 0.483 617 K N -1.955 118.361 120.400 -0.140 0.000 2.350 617 K HA 0.179 4.498 4.320 -0.001 0.000 0.196 617 K C 1.612 178.258 176.600 0.075 0.000 1.084 617 K CA 0.276 56.581 56.287 0.031 0.000 0.967 617 K CB 0.001 32.550 32.500 0.082 0.000 0.950 617 K HN 0.356 nan 8.250 nan 0.000 0.512 618 M N 1.400 120.959 119.600 -0.069 0.000 2.064 618 M HA -0.014 4.465 4.480 -0.001 0.000 0.260 618 M C 1.775 178.050 176.300 -0.041 0.000 1.073 618 M CA 1.450 56.727 55.300 -0.037 0.000 1.124 618 M CB -0.220 32.310 32.600 -0.116 0.000 1.326 618 M HN 0.033 nan 8.290 nan 0.000 0.410 619 I N -0.728 119.792 120.570 -0.084 0.000 2.335 619 I HA -0.333 3.836 4.170 -0.001 0.000 0.251 619 I C 2.158 178.169 176.117 -0.176 0.000 1.129 619 I CA 1.053 62.285 61.300 -0.113 0.000 1.402 619 I CB -0.543 37.406 38.000 -0.087 0.000 1.069 619 I HN 0.275 nan 8.210 nan 0.000 0.424 620 I N 0.677 121.120 120.570 -0.212 0.000 2.142 620 I HA -0.290 3.879 4.170 -0.001 0.000 0.240 620 I C 2.608 178.407 176.117 -0.529 0.000 1.078 620 I CA 1.321 62.349 61.300 -0.454 0.000 1.343 620 I CB -0.314 37.461 38.000 -0.376 0.000 1.046 620 I HN 0.124 nan 8.210 nan 0.000 0.405 621 K N 1.295 121.412 120.400 -0.472 0.000 2.209 621 K HA -0.110 4.209 4.320 -0.001 0.000 0.204 621 K C 1.936 178.355 176.600 -0.302 0.000 1.048 621 K CA 1.290 57.228 56.287 -0.581 0.000 0.940 621 K CB -0.384 31.525 32.500 -0.985 0.000 0.729 621 K HN 0.260 nan 8.250 nan 0.000 0.451 622 L N -0.127 120.890 121.223 -0.343 0.000 2.072 622 L HA -0.049 4.290 4.340 -0.001 0.000 0.205 622 L C 1.981 178.478 176.870 -0.622 0.000 1.079 622 L CA 1.051 55.382 54.840 -0.848 0.000 0.752 622 L CB -0.118 41.411 42.059 -0.882 0.000 0.906 622 L HN 0.184 nan 8.230 nan 0.000 0.436 623 I N -0.665 119.642 120.570 -0.438 0.000 2.493 623 I HA -0.203 3.966 4.170 -0.001 0.000 0.254 623 I C 1.040 176.959 176.117 -0.330 0.000 1.160 623 I CA 1.067 62.173 61.300 -0.324 0.000 1.445 623 I CB -0.131 37.768 38.000 -0.168 0.000 1.086 623 I HN 0.167 nan 8.210 nan 0.000 0.433 624 T N 0.240 114.546 114.554 -0.412 0.000 3.260 624 T HA 0.479 4.828 4.350 -0.001 0.000 0.254 624 T C 0.842 175.368 174.700 -0.289 0.000 0.951 624 T CA 0.389 62.282 62.100 -0.345 0.000 0.918 624 T CB 0.440 69.052 68.868 -0.428 0.000 1.098 624 T HN 0.345 nan 8.240 nan 0.000 0.563 625 A N 0.287 122.937 122.820 -0.284 0.000 1.977 625 A HA 0.450 4.769 4.320 -0.001 0.000 0.197 625 A C 1.797 179.283 177.584 -0.162 0.000 1.554 625 A CA -0.142 51.790 52.037 -0.175 0.000 1.037 625 A CB -0.080 18.848 19.000 -0.121 0.000 1.083 625 A HN 0.438 nan 8.150 nan 0.000 0.471 626 I N 0.613 120.965 120.570 -0.364 0.000 2.099 626 I HA -0.216 3.953 4.170 -0.001 0.000 0.239 626 I C 2.776 178.820 176.117 -0.121 0.000 1.066 626 I CA 1.480 62.602 61.300 -0.297 0.000 1.324 626 I CB -0.703 37.061 38.000 -0.393 0.000 1.037 626 I HN 0.388 nan 8.210 nan 0.000 0.401 627 G N 0.796 109.516 108.800 -0.133 0.000 2.606 627 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.221 627 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.221 627 G C 0.995 175.866 174.900 -0.049 0.000 1.152 627 G CA 1.851 46.911 45.100 -0.066 0.000 0.765 627 G HN 0.405 nan 8.290 nan 0.000 0.595 628 D N -0.503 119.804 120.400 -0.156 0.000 2.096 628 D HA -0.076 4.563 4.640 -0.001 0.000 0.200 628 D C 2.440 178.626 176.300 -0.190 0.000 0.980 628 D CA 1.249 55.048 54.000 -0.336 0.000 0.860 628 D CB -0.786 39.844 40.800 -0.284 0.000 1.005 628 D HN 0.049 nan 8.370 nan 0.000 0.449 629 V N 0.755 120.596 119.914 -0.122 0.000 2.546 629 V HA -0.219 3.901 4.120 -0.001 0.000 0.254 629 V C 2.025 178.044 176.094 -0.126 0.000 1.076 629 V CA 1.727 63.946 62.300 -0.135 0.000 1.087 629 V CB -0.284 31.398 31.823 -0.235 0.000 0.674 629 V HN 0.213 nan 8.190 nan 0.000 0.470 630 V N -1.080 118.767 119.914 -0.113 0.000 2.249 630 V HA -0.091 4.029 4.120 -0.001 0.000 0.239 630 V C 2.080 178.259 176.094 0.141 0.000 1.038 630 V CA 1.986 64.273 62.300 -0.022 0.000 1.005 630 V CB -1.342 30.485 31.823 0.007 0.000 0.646 630 V HN 0.541 nan 8.190 nan 0.000 0.455 631 N N 0.036 118.832 118.700 0.160 0.000 2.520 631 N HA -0.098 4.641 4.740 -0.001 0.000 0.185 631 N C 1.431 177.065 175.510 0.206 0.000 1.068 631 N CA 1.358 54.524 53.050 0.193 0.000 0.911 631 N CB -0.358 38.250 38.487 0.201 0.000 0.961 631 N HN 0.728 nan 8.380 nan 0.000 0.446 632 H N -1.061 118.034 119.070 0.042 0.000 2.592 632 H HA 0.124 4.680 4.556 -0.001 0.000 0.279 632 H C -0.469 174.883 175.328 0.040 0.000 1.089 632 H CA -0.317 55.752 56.048 0.034 0.000 1.150 632 H CB 0.712 30.480 29.762 0.010 0.000 1.575 632 H HN 0.063 nan 8.280 nan 0.000 0.547 633 D N 2.476 122.982 120.400 0.176 0.000 2.485 633 D HA 0.133 4.773 4.640 -0.001 0.000 0.221 633 D C -2.522 173.867 176.300 0.148 0.000 1.112 633 D CA -2.155 51.942 54.000 0.162 0.000 0.911 633 D CB 1.050 42.014 40.800 0.273 0.000 1.019 633 D HN 0.057 nan 8.370 nan 0.000 0.516 634 P HA 0.128 nan 4.420 nan 0.000 0.232 634 P C -0.115 177.224 177.300 0.064 0.000 1.814 634 P CA -0.155 62.992 63.100 0.079 0.000 1.085 634 P CB 1.103 32.836 31.700 0.054 0.000 1.901 635 V N 1.004 120.962 119.914 0.073 0.000 3.177 635 V HA -0.050 4.069 4.120 -0.001 0.000 0.220 635 V C 1.965 178.086 176.094 0.045 0.000 1.395 635 V CA 0.512 62.841 62.300 0.047 0.000 1.317 635 V CB 0.096 31.942 31.823 0.039 0.000 1.148 635 V HN 0.014 nan 8.190 nan 0.000 0.499 636 V N 0.773 120.734 119.914 0.078 0.000 2.379 636 V HA 0.205 4.324 4.120 -0.001 0.000 0.245 636 V C 1.994 178.136 176.094 0.080 0.000 1.044 636 V CA 1.895 64.245 62.300 0.083 0.000 1.036 636 V CB -1.176 30.752 31.823 0.176 0.000 0.664 636 V HN 0.741 nan 8.190 nan 0.000 0.453 637 G N 1.789 110.644 108.800 0.091 0.000 2.601 637 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.306 637 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.306 637 G C 0.438 175.386 174.900 0.080 0.000 1.172 637 G CA 0.498 45.651 45.100 0.089 0.000 0.966 637 G HN 0.718 nan 8.290 nan 0.000 0.542 638 D N 0.496 120.926 120.400 0.051 0.000 2.670 638 D HA 0.238 4.877 4.640 -0.001 0.000 0.255 638 D C 1.459 177.774 176.300 0.024 0.000 1.286 638 D CA -0.385 53.619 54.000 0.006 0.000 0.830 638 D CB 0.168 40.939 40.800 -0.049 0.000 1.065 638 D HN 0.490 nan 8.370 nan 0.000 0.486 639 R N 0.078 120.602 120.500 0.040 0.000 2.275 639 R HA 0.198 4.537 4.340 -0.001 0.000 0.199 639 R C 0.168 176.480 176.300 0.021 0.000 0.989 639 R CA 0.235 56.353 56.100 0.029 0.000 1.016 639 R CB 0.648 30.964 30.300 0.028 0.000 0.918 639 R HN 0.237 nan 8.270 nan 0.000 0.473 640 L N 0.722 121.970 121.223 0.041 0.000 2.641 640 L HA 0.366 4.705 4.340 -0.001 0.000 0.261 640 L C -1.697 175.196 176.870 0.039 0.000 0.926 640 L CA -0.336 54.526 54.840 0.037 0.000 0.917 640 L CB 1.894 44.001 42.059 0.080 0.000 1.361 640 L HN 0.010 nan 8.230 nan 0.000 0.417 641 R N 4.081 124.585 120.500 0.007 0.000 2.574 641 R HA 0.670 5.009 4.340 -0.001 0.000 0.288 641 R C -1.332 174.953 176.300 -0.024 0.000 1.004 641 R CA -0.745 55.356 56.100 0.002 0.000 0.895 641 R CB 2.815 33.111 30.300 -0.007 0.000 1.191 641 R HN 0.364 nan 8.270 nan 0.000 0.444 642 V N 3.926 123.831 119.914 -0.014 0.000 2.349 642 V HA 0.439 4.558 4.120 -0.001 0.000 0.284 642 V C -0.030 176.065 176.094 0.002 0.000 1.014 642 V CA -0.809 61.476 62.300 -0.026 0.000 0.826 642 V CB 1.181 32.983 31.823 -0.035 0.000 1.009 642 V HN 0.575 nan 8.190 nan 0.000 0.431 643 I N 4.501 125.068 120.570 -0.006 0.000 2.437 643 I HA 0.485 4.655 4.170 -0.001 0.000 0.298 643 I C -0.440 175.704 176.117 0.046 0.000 0.984 643 I CA -0.301 61.017 61.300 0.031 0.000 1.214 643 I CB 1.609 39.615 38.000 0.011 0.000 1.365 643 I HN 0.563 nan 8.210 nan 0.000 0.469 644 F N 6.329 126.262 119.950 -0.028 0.000 2.420 644 F HA 0.522 5.048 4.527 -0.001 0.000 0.342 644 F C -0.614 175.194 175.800 0.013 0.000 1.113 644 F CA -0.737 57.245 58.000 -0.029 0.000 1.059 644 F CB 0.902 39.866 39.000 -0.060 0.000 1.128 644 F HN 0.131 nan 8.300 nan 0.000 0.475 645 L N 6.418 127.326 121.223 -0.524 0.000 2.315 645 L HA 0.247 4.587 4.340 -0.001 0.000 0.278 645 L C -0.173 176.607 176.870 -0.150 0.000 1.088 645 L CA -0.629 54.115 54.840 -0.160 0.000 0.899 645 L CB 0.155 42.209 42.059 -0.008 0.000 1.277 645 L HN 0.625 nan 8.230 nan 0.000 0.431 646 E N 2.473 122.637 120.200 -0.059 0.000 2.376 646 E HA -0.005 4.344 4.350 -0.001 0.000 0.266 646 E C 0.450 177.089 176.600 0.066 0.000 1.009 646 E CA -0.421 55.981 56.400 0.002 0.000 0.902 646 E CB 0.394 30.002 29.700 -0.154 0.000 0.972 646 E HN 0.496 nan 8.360 nan 0.000 0.439 647 N N 1.681 120.465 118.700 0.140 0.000 2.818 647 N HA -0.249 4.491 4.740 -0.001 0.000 0.250 647 N C -1.263 174.343 175.510 0.160 0.000 1.108 647 N CA 0.503 53.652 53.050 0.165 0.000 0.745 647 N CB -1.846 36.752 38.487 0.185 0.000 1.104 647 N HN 0.734 nan 8.380 nan 0.000 0.557 648 Y N 2.334 122.670 120.300 0.061 0.000 2.846 648 Y HA -0.057 4.492 4.550 -0.001 0.000 0.352 648 Y C 1.151 177.090 175.900 0.065 0.000 1.298 648 Y CA 0.985 59.118 58.100 0.054 0.000 1.634 648 Y CB 0.137 38.596 38.460 -0.001 0.000 1.214 648 Y HN 0.283 nan 8.280 nan 0.000 0.529 649 R N 2.786 123.010 120.500 -0.459 0.000 3.176 649 R HA 0.485 4.824 4.340 -0.001 0.000 0.247 649 R C 0.114 176.093 176.300 -0.535 0.000 1.382 649 R CA -0.176 55.666 56.100 -0.430 0.000 1.040 649 R CB 0.041 30.260 30.300 -0.136 0.000 1.426 649 R HN 0.328 nan 8.270 nan 0.000 0.485 650 V N 0.602 120.241 119.914 -0.458 0.000 2.515 650 V HA -0.182 3.938 4.120 -0.001 0.000 0.250 650 V C 2.456 178.424 176.094 -0.209 0.000 1.058 650 V CA 2.296 64.388 62.300 -0.346 0.000 1.064 650 V CB -0.669 30.913 31.823 -0.401 0.000 0.675 650 V HN 0.856 nan 8.190 nan 0.000 0.461 651 S N -0.774 114.806 115.700 -0.201 0.000 2.453 651 S HA 0.021 4.490 4.470 -0.001 0.000 0.231 651 S C 1.780 176.301 174.600 -0.132 0.000 1.005 651 S CA 0.848 58.951 58.200 -0.161 0.000 0.949 651 S CB -0.144 62.979 63.200 -0.128 0.000 0.774 651 S HN 0.543 nan 8.310 nan 0.000 0.510 652 L N 0.440 121.582 121.223 -0.136 0.000 2.375 652 L HA 0.217 4.556 4.340 -0.001 0.000 0.215 652 L C 2.715 179.548 176.870 -0.061 0.000 1.108 652 L CA 0.833 55.641 54.840 -0.054 0.000 0.830 652 L CB -0.631 41.448 42.059 0.033 0.000 0.959 652 L HN 0.440 nan 8.230 nan 0.000 0.457 653 A N 0.858 123.591 122.820 -0.144 0.000 1.855 653 A HA -0.194 4.125 4.320 -0.001 0.000 0.215 653 A C 1.898 179.596 177.584 0.189 0.000 1.191 653 A CA 1.461 53.514 52.037 0.027 0.000 0.613 653 A CB -0.410 18.599 19.000 0.014 0.000 0.829 653 A HN 0.563 nan 8.150 nan 0.000 0.442 654 E N 0.427 120.714 120.200 0.144 0.000 2.516 654 E HA -0.130 4.219 4.350 -0.001 0.000 0.199 654 E C 0.397 176.953 176.600 -0.074 0.000 1.069 654 E CA 1.102 57.502 56.400 -0.001 0.000 0.876 654 E CB -0.285 29.225 29.700 -0.317 0.000 0.843 654 E HN 0.824 nan 8.360 nan 0.000 0.530 655 K N 0.085 120.432 120.400 -0.087 0.000 2.734 655 K HA 0.253 4.572 4.320 -0.001 0.000 0.200 655 K C 0.569 177.003 176.600 -0.276 0.000 1.120 655 K CA -0.074 56.147 56.287 -0.111 0.000 1.067 655 K CB 0.978 33.425 32.500 -0.089 0.000 0.771 655 K HN -0.019 nan 8.250 nan 0.000 0.481 656 V N -0.338 119.376 119.914 -0.333 0.000 3.473 656 V HA 0.119 4.238 4.120 -0.001 0.000 0.253 656 V C 1.839 177.729 176.094 -0.340 0.000 1.340 656 V CA -0.060 61.876 62.300 -0.607 0.000 1.103 656 V CB -0.116 31.466 31.823 -0.400 0.000 0.881 656 V HN 0.193 nan 8.190 nan 0.000 0.451 657 I N 0.390 120.773 120.570 -0.313 0.000 2.439 657 I HA -0.021 4.148 4.170 -0.001 0.000 0.251 657 I C -0.303 175.712 176.117 -0.169 0.000 1.139 657 I CA 0.541 61.581 61.300 -0.435 0.000 1.438 657 I CB -1.569 36.014 38.000 -0.695 0.000 1.085 657 I HN 0.258 nan 8.210 nan 0.000 0.427 658 P HA -0.369 nan 4.420 nan 0.000 0.225 658 P C 0.643 177.953 177.300 0.017 0.000 0.859 658 P CA 2.811 65.888 63.100 -0.039 0.000 1.075 658 P CB -0.126 31.529 31.700 -0.074 0.000 0.699 659 A N -2.478 120.349 122.820 0.012 0.000 2.842 659 A HA 0.599 4.919 4.320 -0.001 0.000 0.298 659 A C 0.471 178.219 177.584 0.272 0.000 1.293 659 A CA 0.238 52.398 52.037 0.205 0.000 0.959 659 A CB -0.612 18.651 19.000 0.438 0.000 1.119 659 A HN 0.283 nan 8.150 nan 0.000 0.564 660 A N 0.213 123.148 122.820 0.191 0.000 2.410 660 A HA 0.442 4.762 4.320 -0.001 0.000 0.292 660 A C 0.384 178.118 177.584 0.250 0.000 1.232 660 A CA -0.203 52.002 52.037 0.279 0.000 0.893 660 A CB 0.013 19.272 19.000 0.431 0.000 1.131 660 A HN 0.387 nan 8.150 nan 0.000 0.530 661 D N 1.671 122.206 120.400 0.224 0.000 2.232 661 D HA 0.064 4.703 4.640 -0.001 0.000 0.220 661 D C 0.405 176.846 176.300 0.235 0.000 0.982 661 D CA 0.945 55.082 54.000 0.227 0.000 0.892 661 D CB 0.012 40.789 40.800 -0.038 0.000 1.040 661 D HN 0.481 nan 8.370 nan 0.000 0.463 662 L N 1.429 122.709 121.223 0.094 0.000 2.262 662 L HA 0.218 4.558 4.340 -0.001 0.000 0.288 662 L C -0.126 176.645 176.870 -0.165 0.000 1.035 662 L CA -0.278 54.551 54.840 -0.019 0.000 0.820 662 L CB 1.343 43.375 42.059 -0.045 0.000 1.204 662 L HN -0.092 nan 8.230 nan 0.000 0.424 663 S N 4.644 120.156 115.700 -0.313 0.000 2.400 663 S HA 0.173 4.643 4.470 -0.001 0.000 0.295 663 S C 0.027 174.393 174.600 -0.391 0.000 1.113 663 S CA -0.542 57.235 58.200 -0.704 0.000 1.064 663 S CB 0.131 62.806 63.200 -0.875 0.000 0.990 663 S HN 0.581 nan 8.310 nan 0.000 0.502 664 E N 3.977 123.990 120.200 -0.312 0.000 1.986 664 E HA 0.146 4.495 4.350 -0.001 0.000 0.264 664 E C -0.430 176.094 176.600 -0.126 0.000 1.023 664 E CA -0.368 55.956 56.400 -0.127 0.000 0.834 664 E CB 0.544 30.212 29.700 -0.053 0.000 1.111 664 E HN 0.602 nan 8.360 nan 0.000 0.417 665 Q N 2.693 122.442 119.800 -0.085 0.000 2.916 665 Q HA 0.184 4.524 4.340 -0.001 0.000 0.314 665 Q C 0.551 176.543 176.000 -0.013 0.000 1.194 665 Q CA -0.143 55.611 55.803 -0.082 0.000 1.079 665 Q CB -0.211 28.471 28.738 -0.095 0.000 1.322 665 Q HN 0.620 nan 8.270 nan 0.000 0.500 666 I N -2.359 118.215 120.570 0.006 0.000 3.184 666 I HA 0.327 4.497 4.170 -0.001 0.000 0.311 666 I C -0.008 176.064 176.117 -0.076 0.000 1.243 666 I CA -0.227 61.112 61.300 0.066 0.000 1.393 666 I CB 0.340 38.405 38.000 0.108 0.000 1.471 666 I HN -0.110 nan 8.210 nan 0.000 0.540 667 S N 1.495 117.102 115.700 -0.155 0.000 2.585 667 S HA 0.355 4.824 4.470 -0.001 0.000 0.277 667 S C 0.460 174.944 174.600 -0.193 0.000 1.241 667 S CA -0.274 57.774 58.200 -0.253 0.000 1.041 667 S CB 1.234 64.210 63.200 -0.373 0.000 0.987 667 S HN 0.558 nan 8.310 nan 0.000 0.512 668 T N 3.427 117.894 114.554 -0.145 0.000 2.934 668 T HA 0.213 4.562 4.350 -0.001 0.000 0.306 668 T C 0.325 174.990 174.700 -0.059 0.000 1.042 668 T CA -0.030 62.039 62.100 -0.052 0.000 1.145 668 T CB 0.239 69.180 68.868 0.121 0.000 0.982 668 T HN 0.743 nan 8.240 nan 0.000 0.544 669 A N 2.907 125.680 122.820 -0.078 0.000 2.522 669 A HA 0.488 4.807 4.320 -0.001 0.000 0.256 669 A C 1.499 179.064 177.584 -0.032 0.000 1.086 669 A CA 0.188 52.177 52.037 -0.080 0.000 0.763 669 A CB -0.811 18.129 19.000 -0.100 0.000 1.024 669 A HN 1.642 nan 8.150 nan 0.000 0.502 670 G N 2.065 110.844 108.800 -0.034 0.000 2.149 670 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.235 670 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.235 670 G C 0.640 175.556 174.900 0.026 0.000 1.018 670 G CA 1.190 46.283 45.100 -0.011 0.000 0.728 670 G HN 1.905 nan 8.290 nan 0.000 0.508 671 T N -3.442 111.136 114.554 0.039 0.000 3.018 671 T HA 0.321 4.671 4.350 -0.001 0.000 0.246 671 T C 0.615 175.401 174.700 0.143 0.000 1.026 671 T CA 0.544 62.731 62.100 0.146 0.000 1.081 671 T CB 0.547 69.577 68.868 0.271 0.000 0.970 671 T HN 0.222 nan 8.240 nan 0.000 0.475 672 E N 1.615 121.815 120.200 -0.001 0.000 2.259 672 E HA 0.510 4.859 4.350 -0.001 0.000 0.281 672 E C 0.865 177.440 176.600 -0.043 0.000 1.037 672 E CA 0.021 56.408 56.400 -0.022 0.000 0.854 672 E CB 1.473 31.105 29.700 -0.112 0.000 1.051 672 E HN 0.438 nan 8.360 nan 0.000 0.409 673 A N 2.509 125.293 122.820 -0.061 0.000 2.121 673 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 673 A C 1.361 178.887 177.584 -0.095 0.000 1.154 673 A CA 1.571 53.473 52.037 -0.225 0.000 0.679 673 A CB 0.160 18.981 19.000 -0.298 0.000 0.795 673 A HN 0.579 nan 8.150 nan 0.000 0.458 674 S N -3.448 112.247 115.700 -0.007 0.000 5.203 674 S HA 0.472 4.942 4.470 -0.001 0.000 0.202 674 S C -0.248 174.354 174.600 0.004 0.000 1.245 674 S CA 1.001 59.221 58.200 0.033 0.000 0.991 674 S CB -0.047 63.214 63.200 0.102 0.000 1.932 674 S HN 2.072 nan 8.310 nan 0.000 0.521 675 G N 0.263 109.077 108.800 0.023 0.000 2.677 675 G HA2 0.334 4.294 3.960 -0.001 0.000 0.321 675 G HA3 0.334 4.294 3.960 -0.001 0.000 0.321 675 G C -0.139 174.765 174.900 0.006 0.000 1.449 675 G CA 0.456 45.557 45.100 0.002 0.000 1.064 675 G HN 0.714 nan 8.290 nan 0.000 0.627 676 T N 1.230 115.792 114.554 0.014 0.000 3.056 676 T HA 0.205 4.555 4.350 -0.001 0.000 0.241 676 T C 2.272 176.937 174.700 -0.060 0.000 1.006 676 T CA 1.638 63.737 62.100 -0.003 0.000 1.115 676 T CB 0.039 68.917 68.868 0.018 0.000 0.939 676 T HN 1.171 nan 8.240 nan 0.000 0.462 677 G N 1.695 110.469 108.800 -0.045 0.000 2.956 677 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.207 677 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.207 677 G C 1.198 176.184 174.900 0.144 0.000 1.162 677 G CA 0.086 45.162 45.100 -0.039 0.000 0.796 677 G HN 0.429 nan 8.290 nan 0.000 0.527 678 N N 0.232 118.985 118.700 0.088 0.000 2.388 678 N HA 0.048 4.787 4.740 -0.001 0.000 0.176 678 N C 2.122 177.702 175.510 0.117 0.000 1.062 678 N CA 0.229 53.348 53.050 0.116 0.000 0.895 678 N CB -0.002 38.495 38.487 0.016 0.000 1.018 678 N HN 0.348 nan 8.380 nan 0.000 0.456 679 M N 1.202 120.833 119.600 0.052 0.000 2.160 679 M HA -0.042 4.438 4.480 -0.001 0.000 0.264 679 M C 0.781 177.140 176.300 0.098 0.000 1.073 679 M CA 1.168 56.517 55.300 0.081 0.000 1.142 679 M CB -0.490 32.176 32.600 0.109 0.000 1.358 679 M HN -0.006 nan 8.290 nan 0.000 0.422 680 K N -0.229 120.165 120.400 -0.009 0.000 3.000 680 K HA 0.146 4.465 4.320 -0.001 0.000 0.265 680 K C -0.271 176.248 176.600 -0.134 0.000 1.260 680 K CA 0.284 56.520 56.287 -0.085 0.000 1.209 680 K CB -0.222 32.053 32.500 -0.375 0.000 1.484 680 K HN 0.127 nan 8.250 nan 0.000 0.283 681 F N 0.148 120.090 119.950 -0.013 0.000 2.370 681 F HA 0.145 4.671 4.527 -0.001 0.000 0.356 681 F C 0.534 176.329 175.800 -0.009 0.000 0.820 681 F CA -0.437 57.553 58.000 -0.017 0.000 1.018 681 F CB 0.358 39.330 39.000 -0.046 0.000 1.050 681 F HN 0.142 nan 8.300 nan 0.000 0.646 682 M N 0.343 120.051 119.600 0.180 0.000 3.310 682 M HA 0.408 4.887 4.480 -0.001 0.000 0.233 682 M C -0.267 176.098 176.300 0.109 0.000 1.267 682 M CA 0.892 56.248 55.300 0.094 0.000 1.301 682 M CB 0.537 33.166 32.600 0.048 0.000 1.186 682 M HN 0.296 nan 8.290 nan 0.000 0.515 683 L N -0.770 120.519 121.223 0.110 0.000 2.658 683 L HA 0.297 4.636 4.340 -0.001 0.000 0.222 683 L C 1.450 178.376 176.870 0.092 0.000 1.033 683 L CA 0.252 55.155 54.840 0.106 0.000 0.949 683 L CB 0.414 42.541 42.059 0.114 0.000 1.698 683 L HN 0.490 nan 8.230 nan 0.000 0.498 684 N N 0.346 119.095 118.700 0.081 0.000 2.512 684 N HA 0.043 4.782 4.740 -0.001 0.000 0.183 684 N C 0.198 175.763 175.510 0.093 0.000 1.073 684 N CA 0.634 53.725 53.050 0.069 0.000 0.911 684 N CB 0.224 38.721 38.487 0.016 0.000 0.964 684 N HN 0.375 nan 8.380 nan 0.000 0.447 685 G N 0.611 109.474 108.800 0.105 0.000 2.860 685 G HA2 0.173 4.132 3.960 -0.001 0.000 0.547 685 G HA3 0.173 4.132 3.960 -0.001 0.000 0.547 685 G C -0.922 174.077 174.900 0.165 0.000 1.103 685 G CA -0.348 44.822 45.100 0.116 0.000 1.126 685 G HN 0.413 nan 8.290 nan 0.000 0.490 686 A N 2.645 125.546 122.820 0.136 0.000 2.555 686 A HA 0.764 5.083 4.320 -0.001 0.000 0.297 686 A C -0.392 177.173 177.584 -0.032 0.000 1.060 686 A CA -0.676 51.452 52.037 0.152 0.000 0.710 686 A CB 1.192 20.382 19.000 0.317 0.000 1.282 686 A HN 1.305 nan 8.150 nan 0.000 0.399 687 L N 2.363 123.528 121.223 -0.096 0.000 2.281 687 L HA 0.369 4.708 4.340 -0.001 0.000 0.285 687 L C 0.218 176.921 176.870 -0.278 0.000 1.074 687 L CA -0.319 54.340 54.840 -0.301 0.000 0.817 687 L CB 1.434 43.239 42.059 -0.422 0.000 1.168 687 L HN 0.814 nan 8.230 nan 0.000 0.434 688 T N 2.729 117.039 114.554 -0.405 0.000 2.875 688 T HA 0.252 4.602 4.350 -0.001 0.000 0.307 688 T C 0.239 174.889 174.700 -0.084 0.000 1.013 688 T CA -0.336 61.593 62.100 -0.285 0.000 0.970 688 T CB 0.628 69.314 68.868 -0.303 0.000 0.986 688 T HN 0.332 nan 8.240 nan 0.000 0.536 689 I N 3.797 124.373 120.570 0.010 0.000 2.269 689 I HA 0.549 4.718 4.170 -0.001 0.000 0.293 689 I C 0.147 176.451 176.117 0.311 0.000 1.106 689 I CA 0.304 61.728 61.300 0.206 0.000 1.248 689 I CB -0.553 37.551 38.000 0.173 0.000 1.444 689 I HN 0.799 nan 8.210 nan 0.000 0.497 690 G N 4.433 113.465 108.800 0.387 0.000 2.673 690 G HA2 0.269 4.228 3.960 -0.001 0.000 0.292 690 G HA3 0.269 4.228 3.960 -0.001 0.000 0.292 690 G C -0.823 174.140 174.900 0.105 0.000 1.450 690 G CA -0.550 44.789 45.100 0.399 0.000 0.837 690 G HN 0.404 nan 8.290 nan 0.000 0.505 691 T N 1.347 115.743 114.554 -0.262 0.000 2.830 691 T HA -0.017 4.332 4.350 -0.001 0.000 0.282 691 T C 0.729 175.299 174.700 -0.216 0.000 1.024 691 T CA 0.797 62.613 62.100 -0.473 0.000 1.144 691 T CB 0.126 68.711 68.868 -0.472 0.000 1.035 691 T HN 0.435 nan 8.240 nan 0.000 0.507 692 M N 5.509 124.991 119.600 -0.197 0.000 2.143 692 M HA 0.251 4.730 4.480 -0.001 0.000 0.348 692 M C -0.068 176.160 176.300 -0.120 0.000 1.375 692 M CA 0.210 55.427 55.300 -0.138 0.000 1.124 692 M CB 0.033 32.557 32.600 -0.127 0.000 1.669 692 M HN 0.852 nan 8.290 nan 0.000 0.469 693 D N 2.543 122.880 120.400 -0.106 0.000 2.827 693 D HA 0.454 5.094 4.640 -0.001 0.000 0.336 693 D C 0.085 176.338 176.300 -0.078 0.000 1.374 693 D CA 0.212 54.162 54.000 -0.082 0.000 0.794 693 D CB -0.113 40.642 40.800 -0.075 0.000 1.364 693 D HN 0.752 nan 8.370 nan 0.000 0.464 694 G N 0.279 109.045 108.800 -0.056 0.000 2.591 694 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.298 694 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.298 694 G C 0.843 175.711 174.900 -0.053 0.000 1.195 694 G CA 1.840 46.912 45.100 -0.046 0.000 0.989 694 G HN 1.548 nan 8.290 nan 0.000 0.551 695 A N -0.482 122.295 122.820 -0.073 0.000 2.348 695 A HA 0.408 4.727 4.320 -0.001 0.000 0.224 695 A C 1.752 179.229 177.584 -0.177 0.000 1.227 695 A CA 1.268 53.228 52.037 -0.128 0.000 0.885 695 A CB -0.074 18.850 19.000 -0.126 0.000 0.933 695 A HN 0.516 nan 8.150 nan 0.000 0.506 696 N N 0.172 118.798 118.700 -0.124 0.000 2.520 696 N HA -0.080 4.660 4.740 -0.001 0.000 0.185 696 N C 1.409 176.760 175.510 -0.265 0.000 1.068 696 N CA 0.949 53.934 53.050 -0.108 0.000 0.911 696 N CB -0.099 38.361 38.487 -0.045 0.000 0.961 696 N HN 0.308 nan 8.380 nan 0.000 0.446 697 V N 0.930 120.707 119.914 -0.228 0.000 2.278 697 V HA -0.139 3.980 4.120 -0.001 0.000 0.231 697 V C 1.831 177.778 176.094 -0.245 0.000 1.048 697 V CA 1.243 63.408 62.300 -0.225 0.000 1.015 697 V CB -0.542 31.204 31.823 -0.127 0.000 0.652 697 V HN 0.232 nan 8.190 nan 0.000 0.466 698 E N -0.252 119.861 120.200 -0.144 0.000 2.233 698 E HA -0.307 4.042 4.350 -0.001 0.000 0.199 698 E C 2.099 178.699 176.600 -0.000 0.000 1.004 698 E CA 1.724 58.118 56.400 -0.009 0.000 0.819 698 E CB -0.292 29.485 29.700 0.128 0.000 0.738 698 E HN 0.529 nan 8.360 nan 0.000 0.478 699 M N 0.057 119.482 119.600 -0.291 0.000 2.086 699 M HA -0.156 4.323 4.480 -0.001 0.000 0.261 699 M C 2.473 178.651 176.300 -0.204 0.000 1.067 699 M CA 1.637 56.844 55.300 -0.155 0.000 1.116 699 M CB -0.154 32.383 32.600 -0.105 0.000 1.348 699 M HN 0.144 nan 8.290 nan 0.000 0.407 700 A N -0.454 121.862 122.820 -0.841 0.000 1.970 700 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 700 A C 2.011 179.473 177.584 -0.204 0.000 1.170 700 A CA 1.360 52.955 52.037 -0.738 0.000 0.645 700 A CB -0.692 17.757 19.000 -0.918 0.000 0.816 700 A HN 0.558 nan 8.150 nan 0.000 0.447 701 E N -0.152 119.970 120.200 -0.131 0.000 2.265 701 E HA -0.200 4.149 4.350 -0.001 0.000 0.196 701 E C 1.370 177.991 176.600 0.036 0.000 0.996 701 E CA 1.139 57.520 56.400 -0.031 0.000 0.832 701 E CB 0.019 29.712 29.700 -0.012 0.000 0.756 701 E HN 0.592 nan 8.360 nan 0.000 0.491 702 E N 0.353 120.611 120.200 0.097 0.000 2.024 702 E HA -0.024 4.326 4.350 -0.001 0.000 0.190 702 E C 1.956 178.638 176.600 0.136 0.000 0.974 702 E CA 0.992 57.476 56.400 0.141 0.000 0.810 702 E CB -0.482 29.373 29.700 0.258 0.000 0.775 702 E HN 0.291 nan 8.360 nan 0.000 0.453 703 A N 0.799 123.741 122.820 0.202 0.000 2.121 703 A HA 0.220 4.540 4.320 -0.001 0.000 0.218 703 A C 1.082 178.773 177.584 0.179 0.000 1.154 703 A CA 1.262 53.437 52.037 0.230 0.000 0.679 703 A CB -0.454 18.793 19.000 0.413 0.000 0.795 703 A HN 0.313 nan 8.150 nan 0.000 0.458 704 G N -0.921 107.954 108.800 0.125 0.000 3.039 704 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.686 704 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.686 704 G C 0.166 175.140 174.900 0.124 0.000 1.066 704 G CA 0.087 45.241 45.100 0.090 0.000 0.774 704 G HN 0.152 nan 8.290 nan 0.000 0.591 705 E N 1.024 121.260 120.200 0.061 0.000 2.160 705 E HA -0.163 4.186 4.350 -0.001 0.000 0.195 705 E C 2.249 178.935 176.600 0.143 0.000 0.991 705 E CA 1.952 58.393 56.400 0.069 0.000 0.810 705 E CB 0.137 29.846 29.700 0.015 0.000 0.742 705 E HN 0.746 nan 8.360 nan 0.000 0.466 706 E N 0.330 120.596 120.200 0.111 0.000 2.338 706 E HA -0.086 4.264 4.350 -0.001 0.000 0.197 706 E C 1.467 178.153 176.600 0.144 0.000 1.007 706 E CA 0.624 57.092 56.400 0.112 0.000 0.849 706 E CB -0.215 29.527 29.700 0.069 0.000 0.774 706 E HN 0.221 nan 8.360 nan 0.000 0.506 707 N N -0.583 118.214 118.700 0.162 0.000 2.415 707 N HA 0.050 4.789 4.740 -0.001 0.000 0.176 707 N C 0.060 175.643 175.510 0.122 0.000 1.042 707 N CA 0.265 53.381 53.050 0.111 0.000 0.902 707 N CB 0.167 38.716 38.487 0.103 0.000 0.986 707 N HN 0.099 nan 8.380 nan 0.000 0.447 708 F N -0.390 119.608 119.950 0.080 0.000 2.294 708 F HA 0.271 4.797 4.527 -0.001 0.000 0.319 708 F C 0.402 176.389 175.800 0.312 0.000 1.107 708 F CA -0.432 57.637 58.000 0.115 0.000 1.094 708 F CB 0.545 39.591 39.000 0.077 0.000 1.508 708 F HN -0.227 nan 8.300 nan 0.000 0.506 709 F N 1.898 121.982 119.950 0.222 0.000 2.619 709 F HA 0.352 4.879 4.527 -0.001 0.000 0.382 709 F C -0.516 175.410 175.800 0.210 0.000 1.466 709 F CA -0.754 57.327 58.000 0.136 0.000 1.137 709 F CB -0.124 38.894 39.000 0.031 0.000 1.205 709 F HN -0.028 nan 8.300 nan 0.000 0.525 710 I N 3.772 124.508 120.570 0.277 0.000 2.907 710 I HA -0.159 4.011 4.170 -0.001 0.000 0.285 710 I C 0.680 176.893 176.117 0.159 0.000 1.189 710 I CA 0.706 62.116 61.300 0.183 0.000 1.376 710 I CB -1.450 36.579 38.000 0.048 0.000 1.420 710 I HN 0.128 nan 8.210 nan 0.000 0.544 711 F N 5.061 125.018 119.950 0.011 0.000 2.363 711 F HA 0.845 5.371 4.527 -0.001 0.000 0.332 711 F C 1.179 176.975 175.800 -0.008 0.000 1.039 711 F CA -0.678 57.311 58.000 -0.018 0.000 1.127 711 F CB -0.937 38.075 39.000 0.021 0.000 1.701 711 F HN 0.627 nan 8.300 nan 0.000 0.532 712 G N 0.372 109.092 108.800 -0.133 0.000 2.681 712 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.320 712 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.320 712 G C -0.109 174.648 174.900 -0.237 0.000 1.339 712 G CA 0.079 45.017 45.100 -0.270 0.000 0.916 712 G HN 0.928 nan 8.290 nan 0.000 0.559 713 M N -0.921 118.566 119.600 -0.189 0.000 2.162 713 M HA 0.325 4.804 4.480 -0.001 0.000 0.273 713 M C 0.901 177.121 176.300 -0.134 0.000 1.189 713 M CA 0.726 55.954 55.300 -0.119 0.000 1.132 713 M CB 0.311 32.865 32.600 -0.077 0.000 1.358 713 M HN 0.649 nan 8.290 nan 0.000 0.430 714 R N -1.420 119.028 120.500 -0.087 0.000 2.808 714 R HA 0.361 4.700 4.340 -0.001 0.000 0.272 714 R C 0.603 176.867 176.300 -0.059 0.000 0.995 714 R CA -0.463 55.587 56.100 -0.083 0.000 0.917 714 R CB 1.273 31.532 30.300 -0.069 0.000 1.217 714 R HN 0.511 nan 8.270 nan 0.000 0.471 715 V N 1.050 120.930 119.914 -0.055 0.000 2.251 715 V HA -0.403 3.716 4.120 -0.001 0.000 0.259 715 V C 2.069 178.145 176.094 -0.030 0.000 1.078 715 V CA 2.471 64.748 62.300 -0.039 0.000 1.072 715 V CB -0.718 31.085 31.823 -0.034 0.000 0.681 715 V HN 0.871 nan 8.190 nan 0.000 0.454 716 E N 1.978 122.161 120.200 -0.029 0.000 2.028 716 E HA -0.277 4.073 4.350 -0.001 0.000 0.191 716 E C 1.748 178.338 176.600 -0.016 0.000 0.988 716 E CA 2.034 58.421 56.400 -0.022 0.000 0.799 716 E CB -0.390 29.297 29.700 -0.022 0.000 0.755 716 E HN 0.885 nan 8.360 nan 0.000 0.447 717 D N -0.110 120.280 120.400 -0.016 0.000 2.336 717 D HA -0.041 4.599 4.640 -0.001 0.000 0.229 717 D C 1.690 177.990 176.300 -0.001 0.000 1.061 717 D CA 0.147 54.145 54.000 -0.003 0.000 0.875 717 D CB 0.349 41.150 40.800 0.003 0.000 0.904 717 D HN 0.089 nan 8.370 nan 0.000 0.525 718 V N 0.461 120.365 119.914 -0.018 0.000 2.426 718 V HA -0.140 3.980 4.120 -0.001 0.000 0.242 718 V C 1.996 178.074 176.094 -0.026 0.000 1.036 718 V CA 1.386 63.669 62.300 -0.029 0.000 1.044 718 V CB -0.317 31.480 31.823 -0.042 0.000 0.688 718 V HN 0.199 nan 8.190 nan 0.000 0.462 719 D N -0.041 120.346 120.400 -0.021 0.000 2.182 719 D HA -0.152 4.488 4.640 -0.001 0.000 0.201 719 D C 2.332 178.627 176.300 -0.007 0.000 0.986 719 D CA 0.933 54.922 54.000 -0.018 0.000 0.847 719 D CB 0.019 40.809 40.800 -0.016 0.000 0.942 719 D HN 0.304 nan 8.370 nan 0.000 0.467 720 R N 0.513 121.014 120.500 0.001 0.000 2.070 720 R HA -0.103 4.237 4.340 -0.001 0.000 0.227 720 R C 2.363 178.679 176.300 0.025 0.000 1.147 720 R CA 0.211 56.319 56.100 0.012 0.000 0.924 720 R CB -1.321 28.990 30.300 0.019 0.000 0.827 720 R HN 0.161 nan 8.270 nan 0.000 0.431 721 L N 2.050 123.298 121.223 0.041 0.000 2.149 721 L HA -0.251 4.089 4.340 -0.001 0.000 0.223 721 L C -0.053 176.867 176.870 0.082 0.000 1.089 721 L CA 2.030 56.918 54.840 0.081 0.000 0.800 721 L CB -0.922 41.189 42.059 0.086 0.000 0.897 721 L HN 0.335 nan 8.230 nan 0.000 0.443 722 D N -2.062 118.361 120.400 0.038 0.000 2.973 722 D HA 0.212 4.852 4.640 -0.001 0.000 0.263 722 D C 0.827 177.138 176.300 0.017 0.000 1.266 722 D CA -0.031 53.989 54.000 0.033 0.000 0.975 722 D CB 0.370 41.168 40.800 -0.004 0.000 1.032 722 D HN 0.388 nan 8.370 nan 0.000 0.510 723 Q N 0.066 119.881 119.800 0.026 0.000 1.891 723 Q HA 0.047 4.386 4.340 -0.001 0.000 0.206 723 Q C 0.112 176.122 176.000 0.017 0.000 0.710 723 Q CA 0.029 55.841 55.803 0.015 0.000 0.840 723 Q CB 0.759 29.503 28.738 0.010 0.000 1.211 723 Q HN 0.176 nan 8.270 nan 0.000 0.424 724 R N -0.690 119.826 120.500 0.027 0.000 2.637 724 R HA 0.471 4.811 4.340 -0.001 0.000 0.446 724 R C 0.003 176.315 176.300 0.021 0.000 1.024 724 R CA 0.067 56.179 56.100 0.020 0.000 1.080 724 R CB 0.201 30.514 30.300 0.021 0.000 1.421 724 R HN 0.071 nan 8.270 nan 0.000 0.593 725 G N 0.948 109.766 108.800 0.030 0.000 3.000 725 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.686 725 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.686 725 G C -1.137 173.795 174.900 0.053 0.000 1.114 725 G CA -0.137 44.980 45.100 0.028 0.000 0.902 725 G HN 0.468 nan 8.290 nan 0.000 0.564 726 Y N 3.018 123.304 120.300 -0.023 0.000 2.341 726 Y HA 0.692 5.242 4.550 -0.001 0.000 0.337 726 Y C -0.021 175.852 175.900 -0.045 0.000 1.014 726 Y CA -1.151 56.936 58.100 -0.022 0.000 1.111 726 Y CB 1.602 40.059 38.460 -0.005 0.000 1.194 726 Y HN 0.760 nan 8.280 nan 0.000 0.462 727 N N 4.616 122.816 118.700 -0.833 0.000 2.500 727 N HA 0.455 5.194 4.740 -0.001 0.000 0.291 727 N C -0.083 174.875 175.510 -0.920 0.000 1.092 727 N CA 0.138 52.757 53.050 -0.719 0.000 0.890 727 N CB 1.614 39.887 38.487 -0.357 0.000 1.466 727 N HN 0.863 nan 8.380 nan 0.000 0.507 728 A N 2.993 125.328 122.820 -0.807 0.000 1.865 728 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 728 A C 1.072 178.610 177.584 -0.078 0.000 1.191 728 A CA 1.167 53.032 52.037 -0.287 0.000 0.623 728 A CB -0.470 18.574 19.000 0.073 0.000 0.826 728 A HN 0.784 nan 8.150 nan 0.000 0.444 729 Q N -0.516 119.296 119.800 0.020 0.000 2.330 729 Q HA 0.250 4.590 4.340 -0.001 0.000 0.279 729 Q C 0.579 176.532 176.000 -0.079 0.000 1.024 729 Q CA 1.112 56.980 55.803 0.109 0.000 0.900 729 Q CB 0.366 29.180 28.738 0.127 0.000 1.221 729 Q HN 0.748 nan 8.270 nan 0.000 0.396 730 E N 1.455 121.645 120.200 -0.017 0.000 3.430 730 E HA -0.234 4.115 4.350 -0.001 0.000 0.127 730 E C -0.151 176.466 176.600 0.030 0.000 0.661 730 E CA 0.760 57.109 56.400 -0.085 0.000 3.042 730 E CB -1.459 28.082 29.700 -0.265 0.000 1.209 730 E HN 0.590 nan 8.360 nan 0.000 0.765 731 Y N 0.309 120.629 120.300 0.033 0.000 2.293 731 Y HA 0.107 4.656 4.550 -0.001 0.000 0.291 731 Y C 2.403 178.262 175.900 -0.069 0.000 1.137 731 Y CA 1.073 59.160 58.100 -0.023 0.000 1.202 731 Y CB -1.114 37.347 38.460 0.002 0.000 0.990 731 Y HN 0.409 nan 8.280 nan 0.000 0.537 732 Y N 1.402 121.715 120.300 0.021 0.000 2.207 732 Y HA -0.220 4.329 4.550 -0.001 0.000 0.287 732 Y C 1.689 177.561 175.900 -0.046 0.000 1.156 732 Y CA 1.719 59.786 58.100 -0.055 0.000 1.182 732 Y CB -0.404 38.073 38.460 0.029 0.000 0.979 732 Y HN 0.105 nan 8.280 nan 0.000 0.521 733 D N -0.534 119.798 120.400 -0.113 0.000 2.347 733 D HA -0.063 4.576 4.640 -0.001 0.000 0.213 733 D C 2.017 178.219 176.300 -0.164 0.000 0.985 733 D CA 0.609 54.471 54.000 -0.231 0.000 0.879 733 D CB 0.059 40.810 40.800 -0.081 0.000 0.919 733 D HN 0.459 nan 8.370 nan 0.000 0.526 734 R N 0.621 121.067 120.500 -0.091 0.000 2.038 734 R HA 0.126 4.466 4.340 -0.001 0.000 0.214 734 R C 0.864 177.104 176.300 -0.100 0.000 1.249 734 R CA -0.022 56.040 56.100 -0.063 0.000 1.025 734 R CB -0.006 30.299 30.300 0.009 0.000 0.911 734 R HN -0.092 nan 8.270 nan 0.000 0.456 735 I N 3.853 124.350 120.570 -0.121 0.000 2.577 735 I HA 0.035 4.205 4.170 -0.001 0.000 0.299 735 I C -1.867 174.129 176.117 -0.202 0.000 1.157 735 I CA -1.287 59.911 61.300 -0.171 0.000 1.418 735 I CB 1.099 38.943 38.000 -0.260 0.000 1.467 735 I HN 0.260 nan 8.210 nan 0.000 0.624 736 P HA -0.143 nan 4.420 nan 0.000 0.218 736 P C 1.020 178.250 177.300 -0.117 0.000 1.149 736 P CA 1.221 64.244 63.100 -0.129 0.000 0.817 736 P CB 0.296 31.944 31.700 -0.087 0.000 0.785 737 E N -0.735 119.406 120.200 -0.098 0.000 2.107 737 E HA -0.103 4.246 4.350 -0.001 0.000 0.191 737 E C 1.815 178.350 176.600 -0.108 0.000 0.982 737 E CA 0.517 56.883 56.400 -0.056 0.000 0.809 737 E CB -1.015 28.702 29.700 0.028 0.000 0.756 737 E HN 0.073 nan 8.360 nan 0.000 0.459 738 L N 1.227 122.273 121.223 -0.296 0.000 2.131 738 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 738 L C 2.155 178.910 176.870 -0.191 0.000 1.092 738 L CA 1.710 56.310 54.840 -0.399 0.000 0.759 738 L CB -0.294 41.273 42.059 -0.820 0.000 0.903 738 L HN -0.041 nan 8.230 nan 0.000 0.435 739 R N -0.837 119.571 120.500 -0.153 0.000 2.091 739 R HA -0.236 4.104 4.340 -0.001 0.000 0.238 739 R C 2.352 178.658 176.300 0.010 0.000 1.136 739 R CA 1.911 57.979 56.100 -0.054 0.000 0.959 739 R CB -0.352 29.811 30.300 -0.230 0.000 0.856 739 R HN 0.670 nan 8.270 nan 0.000 0.437 740 Q N 1.177 120.951 119.800 -0.043 0.000 1.975 740 Q HA -0.216 4.123 4.340 -0.001 0.000 0.205 740 Q C 2.117 178.098 176.000 -0.032 0.000 0.990 740 Q CA 2.494 58.272 55.803 -0.042 0.000 0.845 740 Q CB -0.380 28.328 28.738 -0.051 0.000 0.913 740 Q HN 0.618 nan 8.270 nan 0.000 0.420 741 I N -1.562 119.009 120.570 0.001 0.000 2.315 741 I HA -0.209 3.960 4.170 -0.001 0.000 0.248 741 I C 2.224 178.394 176.117 0.089 0.000 1.117 741 I CA 0.776 62.106 61.300 0.050 0.000 1.404 741 I CB -0.630 37.450 38.000 0.134 0.000 1.071 741 I HN 0.144 nan 8.210 nan 0.000 0.419 742 I N 1.603 122.233 120.570 0.100 0.000 2.208 742 I HA -0.216 3.953 4.170 -0.001 0.000 0.245 742 I C 2.783 178.965 176.117 0.109 0.000 1.097 742 I CA 1.558 62.941 61.300 0.138 0.000 1.363 742 I CB -1.203 36.896 38.000 0.165 0.000 1.051 742 I HN 0.328 nan 8.210 nan 0.000 0.413 743 E N 0.789 121.042 120.200 0.089 0.000 2.038 743 E HA -0.244 4.105 4.350 -0.001 0.000 0.195 743 E C 2.153 178.766 176.600 0.021 0.000 1.000 743 E CA 1.556 57.992 56.400 0.060 0.000 0.803 743 E CB -0.402 29.320 29.700 0.037 0.000 0.750 743 E HN 0.713 nan 8.360 nan 0.000 0.448 744 Q N 0.178 119.936 119.800 -0.070 0.000 2.224 744 Q HA -0.064 4.275 4.340 -0.001 0.000 0.203 744 Q C 2.363 178.369 176.000 0.009 0.000 0.970 744 Q CA 0.908 56.588 55.803 -0.206 0.000 0.865 744 Q CB -0.452 27.864 28.738 -0.704 0.000 0.922 744 Q HN 0.221 nan 8.270 nan 0.000 0.445 745 L N 0.645 121.959 121.223 0.151 0.000 2.083 745 L HA -0.133 4.207 4.340 -0.001 0.000 0.209 745 L C 2.481 179.529 176.870 0.297 0.000 1.083 745 L CA 1.429 56.456 54.840 0.311 0.000 0.752 745 L CB -0.130 42.067 42.059 0.230 0.000 0.899 745 L HN 0.294 nan 8.230 nan 0.000 0.433 746 S N -1.595 114.216 115.700 0.186 0.000 2.524 746 S HA 0.006 4.476 4.470 -0.001 0.000 0.216 746 S C 1.079 175.760 174.600 0.135 0.000 0.987 746 S CA 0.528 58.819 58.200 0.152 0.000 0.909 746 S CB 0.084 63.341 63.200 0.095 0.000 0.781 746 S HN 0.510 nan 8.310 nan 0.000 0.521 747 S N 0.261 116.038 115.700 0.129 0.000 2.312 747 S HA 0.522 4.991 4.470 -0.001 0.000 0.211 747 S C 0.831 175.513 174.600 0.136 0.000 1.315 747 S CA -0.030 58.236 58.200 0.110 0.000 1.267 747 S CB 0.059 63.307 63.200 0.081 0.000 1.072 747 S HN 0.589 nan 8.310 nan 0.000 0.490 748 G N 1.095 109.991 108.800 0.161 0.000 2.416 748 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.301 748 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.301 748 G C 0.258 175.256 174.900 0.163 0.000 0.985 748 G CA 0.622 45.822 45.100 0.166 0.000 0.934 748 G HN 0.652 nan 8.290 nan 0.000 0.513 749 F N 0.087 120.018 119.950 -0.032 0.000 2.031 749 F HA 0.111 4.637 4.527 -0.001 0.000 0.295 749 F C 2.422 178.095 175.800 -0.212 0.000 1.133 749 F CA 2.185 60.056 58.000 -0.215 0.000 1.188 749 F CB -0.426 38.288 39.000 -0.476 0.000 0.974 749 F HN 0.176 nan 8.300 nan 0.000 0.473 750 F N 0.475 120.558 119.950 0.221 0.000 2.069 750 F HA -0.121 4.406 4.527 -0.001 0.000 0.298 750 F C 1.677 177.492 175.800 0.025 0.000 1.113 750 F CA 1.251 59.290 58.000 0.064 0.000 1.214 750 F CB -1.303 37.760 39.000 0.106 0.000 0.978 750 F HN -0.051 nan 8.300 nan 0.000 0.474 751 S N 1.101 116.973 115.700 0.286 0.000 2.474 751 S HA 0.289 4.758 4.470 -0.001 0.000 0.320 751 S C -1.876 172.774 174.600 0.083 0.000 1.067 751 S CA -1.429 56.858 58.200 0.146 0.000 1.127 751 S CB 1.441 64.732 63.200 0.152 0.000 0.971 751 S HN -0.029 nan 8.310 nan 0.000 0.472 752 P HA -0.110 nan 4.420 nan 0.000 0.218 752 P C 0.642 177.955 177.300 0.021 0.000 1.149 752 P CA 1.031 64.141 63.100 0.017 0.000 0.817 752 P CB 0.166 31.860 31.700 -0.011 0.000 0.785 753 K N -0.345 120.066 120.400 0.019 0.000 2.116 753 K HA -0.050 4.270 4.320 -0.001 0.000 0.203 753 K C 0.820 177.430 176.600 0.017 0.000 1.052 753 K CA 1.072 57.369 56.287 0.016 0.000 0.952 753 K CB -0.209 32.300 32.500 0.015 0.000 0.729 753 K HN 0.197 nan 8.250 nan 0.000 0.446 754 Q N -0.697 119.113 119.800 0.017 0.000 3.122 754 Q HA 0.219 4.558 4.340 -0.001 0.000 0.282 754 Q C -2.358 173.641 176.000 -0.002 0.000 0.947 754 Q CA -1.331 54.472 55.803 -0.000 0.000 0.812 754 Q CB 1.524 30.253 28.738 -0.016 0.000 1.333 754 Q HN -0.123 nan 8.270 nan 0.000 0.430 755 P HA -0.253 nan 4.420 nan 0.000 0.217 755 P C -0.147 177.188 177.300 0.057 0.000 1.148 755 P CA 1.647 64.784 63.100 0.062 0.000 0.834 755 P CB 0.385 32.121 31.700 0.060 0.000 0.783 756 D N -1.483 118.926 120.400 0.015 0.000 2.085 756 D HA -0.116 4.523 4.640 -0.001 0.000 0.199 756 D C 1.680 177.954 176.300 -0.044 0.000 0.981 756 D CA 0.330 54.335 54.000 0.008 0.000 0.834 756 D CB -1.085 39.716 40.800 0.002 0.000 0.992 756 D HN -0.130 nan 8.370 nan 0.000 0.457 757 L N -0.207 120.932 121.223 -0.140 0.000 2.403 757 L HA -0.310 4.030 4.340 -0.001 0.000 0.237 757 L C 1.490 178.079 176.870 -0.468 0.000 1.138 757 L CA 1.916 56.540 54.840 -0.361 0.000 0.841 757 L CB -0.922 40.738 42.059 -0.664 0.000 0.979 757 L HN 0.140 nan 8.230 nan 0.000 0.435 758 F N -0.929 119.060 119.950 0.065 0.000 2.725 758 F HA 0.051 4.577 4.527 -0.001 0.000 0.303 758 F C 1.954 177.778 175.800 0.041 0.000 1.167 758 F CA 0.055 58.080 58.000 0.042 0.000 1.403 758 F CB -0.600 38.420 39.000 0.034 0.000 1.077 758 F HN 0.059 nan 8.300 nan 0.000 0.537 759 K N 1.100 121.558 120.400 0.097 0.000 2.211 759 K HA -0.145 4.174 4.320 -0.001 0.000 0.203 759 K C 1.577 178.213 176.600 0.060 0.000 1.050 759 K CA 1.393 57.721 56.287 0.068 0.000 0.945 759 K CB -0.289 32.235 32.500 0.040 0.000 0.732 759 K HN 0.386 nan 8.250 nan 0.000 0.451 760 D N 0.029 120.478 120.400 0.083 0.000 2.234 760 D HA -0.124 4.515 4.640 -0.001 0.000 0.205 760 D C 1.873 178.225 176.300 0.088 0.000 0.962 760 D CA 0.676 54.737 54.000 0.102 0.000 0.855 760 D CB -0.386 40.511 40.800 0.162 0.000 0.951 760 D HN 0.278 nan 8.370 nan 0.000 0.500 761 I N 0.386 121.017 120.570 0.102 0.000 2.584 761 I HA -0.135 4.034 4.170 -0.001 0.000 0.255 761 I C 2.447 178.563 176.117 -0.002 0.000 1.145 761 I CA 0.203 61.545 61.300 0.070 0.000 1.462 761 I CB -0.279 37.793 38.000 0.121 0.000 1.102 761 I HN -0.134 nan 8.210 nan 0.000 0.433 762 V N 2.425 122.348 119.914 0.015 0.000 2.219 762 V HA -0.324 3.795 4.120 -0.001 0.000 0.248 762 V C 2.273 178.253 176.094 -0.190 0.000 1.053 762 V CA 2.441 64.713 62.300 -0.046 0.000 1.009 762 V CB -1.063 30.745 31.823 -0.025 0.000 0.636 762 V HN 0.500 nan 8.190 nan 0.000 0.445 763 N N -0.359 118.218 118.700 -0.204 0.000 2.272 763 N HA -0.186 4.554 4.740 -0.001 0.000 0.185 763 N C 1.720 176.985 175.510 -0.408 0.000 1.014 763 N CA 1.476 54.333 53.050 -0.322 0.000 0.870 763 N CB -0.485 37.933 38.487 -0.116 0.000 0.975 763 N HN 0.367 nan 8.380 nan 0.000 0.433 764 M N 0.650 120.029 119.600 -0.369 0.000 2.077 764 M HA -0.015 4.465 4.480 -0.001 0.000 0.261 764 M C 1.413 177.447 176.300 -0.443 0.000 1.070 764 M CA 1.087 56.052 55.300 -0.558 0.000 1.125 764 M CB -0.531 31.970 32.600 -0.165 0.000 1.339 764 M HN -0.020 nan 8.290 nan 0.000 0.409 765 L N -0.048 120.974 121.223 -0.336 0.000 2.191 765 L HA -0.154 4.185 4.340 -0.001 0.000 0.212 765 L C 2.325 178.770 176.870 -0.708 0.000 1.103 765 L CA 1.376 55.930 54.840 -0.478 0.000 0.769 765 L CB -1.081 40.692 42.059 -0.476 0.000 0.908 765 L HN 0.362 nan 8.230 nan 0.000 0.438 766 M N -2.072 117.255 119.600 -0.456 0.000 2.384 766 M HA -0.019 4.461 4.480 -0.001 0.000 0.258 766 M C 1.929 178.198 176.300 -0.052 0.000 1.130 766 M CA 1.111 56.238 55.300 -0.289 0.000 1.187 766 M CB -0.468 31.911 32.600 -0.368 0.000 1.307 766 M HN 0.214 nan 8.290 nan 0.000 0.468 767 H N -1.124 117.846 119.070 -0.167 0.000 2.639 767 H HA 0.140 4.695 4.556 -0.001 0.000 0.267 767 H C -0.046 175.298 175.328 0.027 0.000 0.958 767 H CA 0.709 56.721 56.048 -0.060 0.000 1.221 767 H CB -0.067 29.700 29.762 0.009 0.000 1.446 767 H HN 0.547 nan 8.280 nan 0.000 0.512 768 H N -2.127 117.004 119.070 0.102 0.000 2.803 768 H HA 0.282 4.837 4.556 -0.001 0.000 0.219 768 H C -1.570 173.788 175.328 0.050 0.000 1.379 768 H CA -0.774 55.319 56.048 0.075 0.000 1.415 768 H CB -0.322 29.477 29.762 0.062 0.000 1.943 768 H HN -0.120 nan 8.280 nan 0.000 0.569 769 D N 1.686 122.125 120.400 0.066 0.000 2.396 769 D HA 0.176 4.815 4.640 -0.001 0.000 0.225 769 D C 0.893 177.163 176.300 -0.051 0.000 1.121 769 D CA -0.714 53.304 54.000 0.031 0.000 0.853 769 D CB 0.987 41.806 40.800 0.031 0.000 1.043 769 D HN 0.637 nan 8.370 nan 0.000 0.500 770 R N 2.708 123.088 120.500 -0.200 0.000 2.240 770 R HA 0.048 4.388 4.340 -0.001 0.000 0.203 770 R C 0.480 176.228 176.300 -0.920 0.000 1.011 770 R CA 0.547 56.289 56.100 -0.597 0.000 1.007 770 R CB 0.158 29.959 30.300 -0.831 0.000 0.911 770 R HN 0.345 nan 8.270 nan 0.000 0.468 771 F N 1.212 121.117 119.950 -0.076 0.000 2.688 771 F HA 0.260 4.786 4.527 -0.001 0.000 0.310 771 F C -0.022 175.710 175.800 -0.112 0.000 1.098 771 F CA -0.810 57.147 58.000 -0.071 0.000 1.228 771 F CB 0.570 39.575 39.000 0.008 0.000 1.042 771 F HN -0.233 nan 8.300 nan 0.000 0.557 772 K N -0.004 120.322 120.400 -0.123 0.000 3.689 772 K HA -0.174 4.145 4.320 -0.001 0.000 0.276 772 K C 1.027 177.708 176.600 0.134 0.000 0.932 772 K CA 0.378 56.611 56.287 -0.090 0.000 0.758 772 K CB -2.189 30.165 32.500 -0.243 0.000 1.500 772 K HN 0.284 nan 8.250 nan 0.000 0.448 773 V N 0.110 120.126 119.914 0.169 0.000 2.323 773 V HA -0.186 3.934 4.120 -0.001 0.000 0.244 773 V C 1.932 178.251 176.094 0.375 0.000 1.041 773 V CA 1.671 64.088 62.300 0.196 0.000 1.025 773 V CB -0.320 31.588 31.823 0.141 0.000 0.656 773 V HN 0.457 nan 8.190 nan 0.000 0.451 774 F N 0.711 120.821 119.950 0.267 0.000 2.186 774 F HA 0.005 4.531 4.527 -0.001 0.000 0.299 774 F C 2.456 178.398 175.800 0.237 0.000 1.090 774 F CA 0.955 59.131 58.000 0.294 0.000 1.307 774 F CB -1.490 37.735 39.000 0.374 0.000 1.019 774 F HN 0.209 nan 8.300 nan 0.000 0.489 775 A N -0.783 122.358 122.820 0.535 0.000 2.067 775 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 775 A C 1.420 179.077 177.584 0.121 0.000 1.158 775 A CA 1.700 53.892 52.037 0.259 0.000 0.661 775 A CB -0.545 18.780 19.000 0.542 0.000 0.801 775 A HN 0.171 nan 8.150 nan 0.000 0.452 776 D N -2.410 118.095 120.400 0.175 0.000 2.388 776 D HA 0.160 4.799 4.640 -0.001 0.000 0.221 776 D C 0.862 177.309 176.300 0.244 0.000 1.133 776 D CA -0.214 53.885 54.000 0.166 0.000 0.831 776 D CB -0.136 40.719 40.800 0.093 0.000 0.962 776 D HN 0.512 nan 8.370 nan 0.000 0.502 777 Y N 1.833 122.188 120.300 0.093 0.000 2.073 777 Y HA -0.205 4.344 4.550 -0.001 0.000 0.257 777 Y C 2.074 178.029 175.900 0.091 0.000 1.093 777 Y CA 1.840 59.995 58.100 0.091 0.000 1.076 777 Y CB -0.082 38.401 38.460 0.040 0.000 0.984 777 Y HN -0.096 nan 8.280 nan 0.000 0.478 778 E N -0.364 120.109 120.200 0.454 0.000 2.136 778 E HA -0.362 3.988 4.350 -0.001 0.000 0.202 778 E C 2.107 178.781 176.600 0.124 0.000 1.019 778 E CA 1.922 58.489 56.400 0.278 0.000 0.819 778 E CB -0.225 29.548 29.700 0.122 0.000 0.739 778 E HN 0.500 nan 8.360 nan 0.000 0.458 779 E N -0.051 120.237 120.200 0.146 0.000 2.150 779 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 779 E C 1.790 178.483 176.600 0.154 0.000 0.985 779 E CA 0.929 57.422 56.400 0.154 0.000 0.814 779 E CB -0.311 29.519 29.700 0.217 0.000 0.752 779 E HN 0.340 nan 8.360 nan 0.000 0.466 780 Y N 0.362 120.626 120.300 -0.059 0.000 2.163 780 Y HA -0.165 4.385 4.550 -0.001 0.000 0.288 780 Y C 2.069 177.647 175.900 -0.536 0.000 1.136 780 Y CA 1.906 59.667 58.100 -0.565 0.000 1.147 780 Y CB -0.459 37.623 38.460 -0.629 0.000 0.987 780 Y HN 0.076 nan 8.280 nan 0.000 0.509 781 V N -1.203 118.454 119.914 -0.429 0.000 2.453 781 V HA -0.112 4.007 4.120 -0.001 0.000 0.247 781 V C 1.001 176.945 176.094 -0.251 0.000 1.048 781 V CA 1.474 63.481 62.300 -0.487 0.000 1.049 781 V CB -0.741 30.901 31.823 -0.303 0.000 0.672 781 V HN 0.172 nan 8.190 nan 0.000 0.457 782 K N 0.383 120.706 120.400 -0.129 0.000 3.006 782 K HA 0.381 4.701 4.320 -0.001 0.000 0.265 782 K C 0.104 176.642 176.600 -0.104 0.000 1.279 782 K CA 0.681 56.920 56.287 -0.080 0.000 1.229 782 K CB -0.174 32.306 32.500 -0.034 0.000 1.555 782 K HN 0.662 nan 8.250 nan 0.000 0.300 783 C N -0.760 118.450 119.300 -0.150 0.000 4.712 783 C HA 0.009 4.468 4.460 -0.001 0.000 0.413 783 C C 0.848 175.787 174.990 -0.086 0.000 0.881 783 C CA -0.000 58.908 59.018 -0.182 0.000 2.306 783 C CB 0.301 27.908 27.740 -0.222 0.000 2.657 783 C HN 0.571 nan 8.230 nan 0.000 0.360 784 Q N 1.170 120.825 119.800 -0.242 0.000 2.482 784 Q HA 0.033 4.372 4.340 -0.001 0.000 0.209 784 Q C 1.357 177.338 176.000 -0.031 0.000 0.961 784 Q CA 0.770 56.475 55.803 -0.163 0.000 0.945 784 Q CB 0.063 28.529 28.738 -0.454 0.000 1.012 784 Q HN 0.753 nan 8.270 nan 0.000 0.515 785 E N 0.200 120.383 120.200 -0.027 0.000 2.140 785 E HA -0.040 4.310 4.350 -0.001 0.000 0.191 785 E C 1.780 178.435 176.600 0.092 0.000 0.973 785 E CA 0.223 56.634 56.400 0.019 0.000 0.829 785 E CB 0.196 29.891 29.700 -0.008 0.000 0.781 785 E HN 0.237 nan 8.360 nan 0.000 0.466 786 R N 0.533 121.116 120.500 0.137 0.000 2.115 786 R HA -0.039 4.301 4.340 -0.001 0.000 0.226 786 R C 2.372 178.943 176.300 0.452 0.000 1.100 786 R CA 0.554 56.820 56.100 0.277 0.000 0.980 786 R CB -0.169 30.218 30.300 0.145 0.000 0.875 786 R HN 0.000 nan 8.270 nan 0.000 0.445 787 V N -0.028 120.146 119.914 0.433 0.000 2.379 787 V HA -0.217 3.902 4.120 -0.001 0.000 0.245 787 V C 2.159 178.356 176.094 0.171 0.000 1.044 787 V CA 1.804 64.183 62.300 0.132 0.000 1.036 787 V CB 0.052 31.909 31.823 0.057 0.000 0.664 787 V HN 0.266 nan 8.190 nan 0.000 0.453 788 S N -0.680 115.094 115.700 0.123 0.000 2.345 788 S HA -0.064 4.405 4.470 -0.001 0.000 0.219 788 S C 2.148 176.837 174.600 0.148 0.000 1.031 788 S CA 1.284 59.544 58.200 0.099 0.000 0.984 788 S CB -0.313 62.892 63.200 0.009 0.000 0.874 788 S HN 0.649 nan 8.310 nan 0.000 0.451 789 A N 1.263 124.160 122.820 0.130 0.000 1.908 789 A HA -0.081 4.238 4.320 -0.001 0.000 0.218 789 A C 2.098 179.793 177.584 0.185 0.000 1.181 789 A CA 1.627 53.748 52.037 0.140 0.000 0.627 789 A CB -0.724 18.347 19.000 0.117 0.000 0.818 789 A HN 0.515 nan 8.150 nan 0.000 0.445 790 L N -2.079 119.281 121.223 0.229 0.000 2.201 790 L HA -0.077 4.262 4.340 -0.001 0.000 0.212 790 L C 2.167 179.317 176.870 0.466 0.000 1.105 790 L CA 1.774 56.784 54.840 0.284 0.000 0.775 790 L CB -0.689 41.506 42.059 0.228 0.000 0.913 790 L HN 0.416 nan 8.230 nan 0.000 0.440 791 Y N 1.235 121.678 120.300 0.238 0.000 2.114 791 Y HA -0.249 4.300 4.550 -0.001 0.000 0.282 791 Y C 1.996 177.830 175.900 -0.109 0.000 1.165 791 Y CA 1.795 59.823 58.100 -0.121 0.000 1.148 791 Y CB -0.221 38.112 38.460 -0.211 0.000 0.972 791 Y HN 0.186 nan 8.280 nan 0.000 0.504 792 K N 1.634 122.049 120.400 0.024 0.000 3.100 792 K HA 0.004 4.323 4.320 -0.001 0.000 0.256 792 K C -0.971 175.650 176.600 0.034 0.000 1.146 792 K CA 0.271 56.552 56.287 -0.009 0.000 1.233 792 K CB -1.404 31.188 32.500 0.153 0.000 1.226 792 K HN 0.478 nan 8.250 nan 0.000 0.442 793 N N -0.154 118.567 118.700 0.035 0.000 2.727 793 N HA 0.253 4.993 4.740 -0.001 0.000 0.252 793 N C -2.516 173.020 175.510 0.043 0.000 1.283 793 N CA -1.439 51.646 53.050 0.059 0.000 0.782 793 N CB 1.791 40.344 38.487 0.109 0.000 1.199 793 N HN -0.098 nan 8.380 nan 0.000 0.520 794 P HA -0.031 nan 4.420 nan 0.000 0.230 794 P C 0.575 177.876 177.300 0.002 0.000 1.158 794 P CA 0.876 63.899 63.100 -0.128 0.000 0.769 794 P CB 0.230 31.824 31.700 -0.176 0.000 0.807 795 R N -1.164 119.369 120.500 0.055 0.000 2.310 795 R HA 0.208 4.548 4.340 -0.001 0.000 0.199 795 R C 1.670 178.027 176.300 0.095 0.000 0.891 795 R CA 0.176 56.322 56.100 0.077 0.000 1.060 795 R CB -0.774 29.553 30.300 0.045 0.000 1.188 795 R HN -0.170 nan 8.270 nan 0.000 0.607 796 E N 0.264 120.515 120.200 0.085 0.000 2.502 796 E HA -0.035 4.315 4.350 -0.001 0.000 0.194 796 E C 0.771 177.398 176.600 0.045 0.000 1.062 796 E CA 0.312 56.743 56.400 0.052 0.000 0.867 796 E CB -0.217 29.507 29.700 0.040 0.000 0.888 796 E HN 0.499 nan 8.360 nan 0.000 0.510 797 W N 0.012 121.298 121.300 -0.022 0.000 2.408 797 W HA -0.112 4.547 4.660 -0.001 0.000 0.311 797 W C 1.867 178.375 176.519 -0.019 0.000 1.190 797 W CA 2.222 59.556 57.345 -0.018 0.000 1.321 797 W CB -0.316 29.134 29.460 -0.016 0.000 1.143 797 W HN 0.024 nan 8.180 nan 0.000 0.501 798 T N 0.859 115.563 114.554 0.251 0.000 3.051 798 T HA -0.113 4.236 4.350 -0.001 0.000 0.269 798 T C 1.748 176.467 174.700 0.031 0.000 1.127 798 T CA 0.757 62.966 62.100 0.181 0.000 1.107 798 T CB -0.222 68.748 68.868 0.169 0.000 0.898 798 T HN 0.095 nan 8.240 nan 0.000 0.517 799 R N 0.570 121.061 120.500 -0.015 0.000 2.057 799 R HA 0.185 4.524 4.340 -0.001 0.000 0.229 799 R C 2.344 178.580 176.300 -0.106 0.000 1.136 799 R CA 1.082 57.150 56.100 -0.053 0.000 0.952 799 R CB -0.547 29.733 30.300 -0.032 0.000 0.848 799 R HN 0.361 nan 8.270 nan 0.000 0.430 800 M N 0.357 119.858 119.600 -0.165 0.000 2.254 800 M HA -0.060 4.419 4.480 -0.001 0.000 0.265 800 M C 1.925 178.106 176.300 -0.198 0.000 1.066 800 M CA 0.947 56.133 55.300 -0.191 0.000 1.123 800 M CB 0.110 32.544 32.600 -0.275 0.000 1.388 800 M HN -0.163 nan 8.290 nan 0.000 0.425 801 V N 0.616 120.398 119.914 -0.219 0.000 2.982 801 V HA -0.257 3.862 4.120 -0.001 0.000 0.265 801 V C 1.912 177.946 176.094 -0.099 0.000 1.122 801 V CA 1.437 63.653 62.300 -0.140 0.000 1.143 801 V CB -1.003 30.799 31.823 -0.036 0.000 0.726 801 V HN 0.513 nan 8.190 nan 0.000 0.507 802 I N -0.738 119.748 120.570 -0.139 0.000 2.731 802 I HA -0.017 4.153 4.170 -0.001 0.000 0.260 802 I C 2.489 178.533 176.117 -0.122 0.000 1.138 802 I CA 0.688 61.873 61.300 -0.193 0.000 1.461 802 I CB -0.417 37.371 38.000 -0.353 0.000 1.128 802 I HN 0.118 nan 8.210 nan 0.000 0.438 803 R N 1.501 121.945 120.500 -0.094 0.000 2.235 803 R HA -0.031 4.308 4.340 -0.001 0.000 0.213 803 R C 2.013 178.309 176.300 -0.007 0.000 1.059 803 R CA 0.812 56.886 56.100 -0.043 0.000 0.997 803 R CB -0.062 30.218 30.300 -0.033 0.000 0.884 803 R HN 0.343 nan 8.270 nan 0.000 0.462 804 N N 0.371 119.051 118.700 -0.033 0.000 2.132 804 N HA -0.077 4.662 4.740 -0.001 0.000 0.187 804 N C 1.735 177.268 175.510 0.039 0.000 1.038 804 N CA 1.426 54.479 53.050 0.004 0.000 0.846 804 N CB -0.090 38.353 38.487 -0.074 0.000 1.012 804 N HN 0.177 nan 8.380 nan 0.000 0.429 805 I N 1.722 122.300 120.570 0.013 0.000 2.145 805 I HA -0.317 3.852 4.170 -0.001 0.000 0.244 805 I C 2.429 178.578 176.117 0.053 0.000 1.075 805 I CA 1.322 62.647 61.300 0.041 0.000 1.332 805 I CB -0.616 37.393 38.000 0.016 0.000 1.033 805 I HN 0.065 nan 8.210 nan 0.000 0.410 806 A N 0.463 123.297 122.820 0.023 0.000 1.892 806 A HA -0.277 4.043 4.320 -0.001 0.000 0.218 806 A C 2.351 179.967 177.584 0.053 0.000 1.188 806 A CA 2.726 54.783 52.037 0.034 0.000 0.631 806 A CB -1.299 17.711 19.000 0.018 0.000 0.822 806 A HN 0.426 nan 8.150 nan 0.000 0.447 807 T N -0.261 114.332 114.554 0.066 0.000 2.802 807 T HA -0.188 4.162 4.350 -0.001 0.000 0.269 807 T C 2.136 176.871 174.700 0.058 0.000 1.062 807 T CA 1.536 63.685 62.100 0.083 0.000 1.133 807 T CB -0.412 68.539 68.868 0.138 0.000 0.852 807 T HN 0.536 nan 8.240 nan 0.000 0.485 808 S N 0.359 116.104 115.700 0.074 0.000 2.378 808 S HA -0.195 4.275 4.470 -0.001 0.000 0.229 808 S C 2.379 176.929 174.600 -0.083 0.000 1.052 808 S CA 1.709 59.944 58.200 0.059 0.000 1.084 808 S CB -0.992 62.265 63.200 0.094 0.000 0.950 808 S HN 0.705 nan 8.310 nan 0.000 0.440 809 G N 0.655 109.404 108.800 -0.085 0.000 2.657 809 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.224 809 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.224 809 G C 1.352 176.112 174.900 -0.232 0.000 1.086 809 G CA 1.367 46.398 45.100 -0.116 0.000 0.730 809 G HN 0.541 nan 8.290 nan 0.000 0.602 810 K N -0.629 119.479 120.400 -0.486 0.000 2.103 810 K HA 0.044 4.363 4.320 -0.001 0.000 0.204 810 K C 0.439 176.603 176.600 -0.727 0.000 1.052 810 K CA 0.330 56.209 56.287 -0.680 0.000 0.945 810 K CB -0.067 31.850 32.500 -0.971 0.000 0.722 810 K HN 0.303 nan 8.250 nan 0.000 0.443 811 F N 0.861 120.844 119.950 0.056 0.000 2.871 811 F HA 0.243 4.770 4.527 -0.001 0.000 0.317 811 F C 0.078 175.918 175.800 0.067 0.000 1.193 811 F CA -0.457 57.584 58.000 0.067 0.000 1.311 811 F CB 0.052 39.098 39.000 0.076 0.000 1.380 811 F HN -0.218 nan 8.300 nan 0.000 0.557 812 S N -0.451 115.302 115.700 0.088 0.000 2.547 812 S HA 0.385 4.854 4.470 -0.001 0.000 0.281 812 S C 0.840 175.486 174.600 0.076 0.000 1.118 812 S CA -0.290 57.955 58.200 0.075 0.000 0.947 812 S CB 1.207 64.412 63.200 0.008 0.000 1.053 812 S HN 0.262 nan 8.310 nan 0.000 0.482 813 S N 2.696 118.462 115.700 0.109 0.000 2.562 813 S HA 0.010 4.479 4.470 -0.001 0.000 0.221 813 S C 0.915 175.516 174.600 0.001 0.000 0.975 813 S CA 0.323 58.592 58.200 0.115 0.000 0.918 813 S CB -0.252 63.096 63.200 0.247 0.000 0.772 813 S HN 0.767 nan 8.310 nan 0.000 0.531 814 D N 2.192 122.586 120.400 -0.010 0.000 2.117 814 D HA -0.138 4.501 4.640 -0.001 0.000 0.197 814 D C 2.080 178.347 176.300 -0.056 0.000 0.987 814 D CA 1.006 54.983 54.000 -0.039 0.000 0.829 814 D CB -0.215 40.563 40.800 -0.037 0.000 0.961 814 D HN 0.475 nan 8.370 nan 0.000 0.460 815 R N 0.583 121.054 120.500 -0.048 0.000 2.070 815 R HA -0.120 4.219 4.340 -0.001 0.000 0.233 815 R C 2.184 178.439 176.300 -0.075 0.000 1.137 815 R CA 1.878 57.942 56.100 -0.060 0.000 0.945 815 R CB -0.287 29.973 30.300 -0.067 0.000 0.845 815 R HN 0.081 nan 8.270 nan 0.000 0.430 816 T N 1.654 116.172 114.554 -0.060 0.000 2.759 816 T HA -0.112 4.237 4.350 -0.001 0.000 0.269 816 T C 1.824 176.445 174.700 -0.132 0.000 1.042 816 T CA 1.169 63.227 62.100 -0.070 0.000 1.140 816 T CB -0.096 68.774 68.868 0.003 0.000 0.864 816 T HN 0.141 nan 8.240 nan 0.000 0.455 817 I N 1.777 122.212 120.570 -0.225 0.000 2.439 817 I HA 0.002 4.171 4.170 -0.001 0.000 0.251 817 I C 2.914 178.957 176.117 -0.123 0.000 1.139 817 I CA 0.562 61.716 61.300 -0.244 0.000 1.438 817 I CB -1.730 36.135 38.000 -0.225 0.000 1.085 817 I HN 0.201 nan 8.210 nan 0.000 0.427 818 A N 0.502 123.268 122.820 -0.091 0.000 1.908 818 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 818 A C 2.247 179.767 177.584 -0.106 0.000 1.181 818 A CA 1.378 53.374 52.037 -0.068 0.000 0.627 818 A CB -0.509 18.458 19.000 -0.055 0.000 0.818 818 A HN 0.480 nan 8.150 nan 0.000 0.445 819 Q N -1.487 118.225 119.800 -0.147 0.000 2.020 819 Q HA -0.207 4.132 4.340 -0.001 0.000 0.202 819 Q C 2.038 177.848 176.000 -0.317 0.000 0.982 819 Q CA 1.858 57.535 55.803 -0.211 0.000 0.838 819 Q CB -0.430 28.162 28.738 -0.245 0.000 0.899 819 Q HN 0.838 nan 8.270 nan 0.000 0.423 820 Y N 0.848 120.838 120.300 -0.516 0.000 2.181 820 Y HA -0.247 4.302 4.550 -0.001 0.000 0.288 820 Y C 2.551 177.808 175.900 -1.073 0.000 1.146 820 Y CA 1.086 58.629 58.100 -0.929 0.000 1.164 820 Y CB -0.605 37.053 38.460 -1.338 0.000 0.982 820 Y HN 0.165 nan 8.280 nan 0.000 0.515 821 A N 0.653 123.210 122.820 -0.440 0.000 1.859 821 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 821 A C 2.352 179.946 177.584 0.016 0.000 1.198 821 A CA 2.108 54.162 52.037 0.028 0.000 0.629 821 A CB -0.500 18.553 19.000 0.088 0.000 0.830 821 A HN 0.264 nan 8.150 nan 0.000 0.446 822 R N -0.451 120.012 120.500 -0.062 0.000 2.056 822 R HA -0.060 4.279 4.340 -0.001 0.000 0.227 822 R C 1.871 178.134 176.300 -0.061 0.000 1.149 822 R CA 1.815 57.889 56.100 -0.043 0.000 0.937 822 R CB -0.987 29.280 30.300 -0.056 0.000 0.835 822 R HN 0.711 nan 8.270 nan 0.000 0.430 823 E N -0.187 119.944 120.200 -0.115 0.000 2.442 823 E HA 0.137 4.486 4.350 -0.001 0.000 0.195 823 E C 1.768 178.338 176.600 -0.051 0.000 1.030 823 E CA 0.358 56.709 56.400 -0.082 0.000 0.869 823 E CB 0.313 29.955 29.700 -0.096 0.000 0.857 823 E HN 0.293 nan 8.360 nan 0.000 0.505 824 I N -1.306 119.207 120.570 -0.096 0.000 3.443 824 I HA 0.023 4.192 4.170 -0.001 0.000 0.277 824 I C 1.374 177.616 176.117 0.209 0.000 1.169 824 I CA 0.067 61.377 61.300 0.017 0.000 1.419 824 I CB 0.152 38.038 38.000 -0.189 0.000 1.331 824 I HN 0.150 nan 8.210 nan 0.000 0.458 825 W N 1.161 122.542 121.300 0.135 0.000 2.526 825 W HA 0.274 4.933 4.660 -0.001 0.000 0.294 825 W C 1.873 178.426 176.519 0.057 0.000 1.181 825 W CA 1.372 58.782 57.345 0.108 0.000 1.373 825 W CB -0.920 28.578 29.460 0.064 0.000 1.112 825 W HN 0.326 nan 8.180 nan 0.000 0.545 826 G N -0.677 108.266 108.800 0.238 0.000 3.435 826 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.197 826 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.197 826 G C 0.148 175.108 174.900 0.099 0.000 1.497 826 G CA -0.181 44.992 45.100 0.121 0.000 1.043 826 G HN 0.369 nan 8.290 nan 0.000 0.466 827 V N 0.781 120.771 119.914 0.128 0.000 2.644 827 V HA 0.345 4.464 4.120 -0.001 0.000 0.303 827 V C 0.228 176.368 176.094 0.078 0.000 1.058 827 V CA -0.031 62.322 62.300 0.088 0.000 1.228 827 V CB 0.611 32.483 31.823 0.081 0.000 0.861 827 V HN 0.409 nan 8.190 nan 0.000 0.484 828 E N 6.047 126.274 120.200 0.046 0.000 2.290 828 E HA 0.353 4.702 4.350 -0.001 0.000 0.277 828 E C -1.765 174.857 176.600 0.037 0.000 1.035 828 E CA -1.430 54.992 56.400 0.037 0.000 0.873 828 E CB 1.042 30.759 29.700 0.027 0.000 1.029 828 E HN 0.725 nan 8.360 nan 0.000 0.419 829 P HA -0.013 nan 4.420 nan 0.000 0.276 829 P C -0.528 176.791 177.300 0.032 0.000 1.264 829 P CA 0.022 63.142 63.100 0.033 0.000 0.815 829 P CB 0.525 32.239 31.700 0.023 0.000 1.121 830 S N -1.253 114.468 115.700 0.034 0.000 2.547 830 S HA 0.503 4.973 4.470 -0.001 0.000 0.270 830 S C -0.543 174.081 174.600 0.040 0.000 1.150 830 S CA -0.732 57.492 58.200 0.040 0.000 0.850 830 S CB 1.097 64.329 63.200 0.053 0.000 1.118 830 S HN 0.342 nan 8.310 nan 0.000 0.461 831 R N 0.940 121.464 120.500 0.041 0.000 2.590 831 R HA 0.159 4.498 4.340 -0.001 0.000 0.410 831 R C -0.528 175.798 176.300 0.043 0.000 1.010 831 R CA -0.225 55.902 56.100 0.044 0.000 1.155 831 R CB 0.895 31.219 30.300 0.040 0.000 1.455 831 R HN 0.725 nan 8.270 nan 0.000 0.567 832 Q N 0.733 120.560 119.800 0.045 0.000 2.260 832 Q HA 0.280 4.619 4.340 -0.001 0.000 0.242 832 Q C -0.649 175.373 176.000 0.035 0.000 0.932 832 Q CA -0.312 55.514 55.803 0.039 0.000 0.891 832 Q CB 0.961 29.725 28.738 0.045 0.000 1.222 832 Q HN -0.093 nan 8.270 nan 0.000 0.453 833 R N 2.063 122.574 120.500 0.019 0.000 2.207 833 R HA 0.343 4.682 4.340 -0.001 0.000 0.334 833 R C -0.783 175.518 176.300 0.003 0.000 1.013 833 R CA -0.757 55.346 56.100 0.005 0.000 0.858 833 R CB 0.594 30.886 30.300 -0.012 0.000 1.094 833 R HN 0.540 nan 8.270 nan 0.000 0.457 834 L N 5.966 127.194 121.223 0.008 0.000 2.453 834 L HA 0.152 4.491 4.340 -0.001 0.000 0.272 834 L C -1.513 175.340 176.870 -0.028 0.000 1.182 834 L CA -0.908 53.926 54.840 -0.011 0.000 0.858 834 L CB 0.240 42.304 42.059 0.009 0.000 1.120 834 L HN 0.481 nan 8.230 nan 0.000 0.474 835 P HA 0.344 nan 4.420 nan 0.000 0.307 835 P C -0.256 177.024 177.300 -0.032 0.000 1.306 835 P CA 0.225 63.302 63.100 -0.039 0.000 0.742 835 P CB 0.529 32.202 31.700 -0.045 0.000 1.349 836 A N -1.823 120.982 122.820 -0.026 0.000 6.226 836 A HA -0.134 4.185 4.320 -0.001 0.000 0.254 836 A C -2.410 175.169 177.584 -0.009 0.000 2.160 836 A CA 0.472 52.500 52.037 -0.015 0.000 0.705 836 A CB -3.427 15.565 19.000 -0.014 0.000 1.036 836 A HN 0.583 nan 8.150 nan 0.000 0.366 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.114 63.100 0.024 0.000 0.800 837 P CB 0.000 31.722 31.700 0.036 0.000 0.726