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 1noi_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 PRTVMIGGKP 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 SRQRLPAPD 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 0.000 176.299 176.300 -0.002 0.000 0.893 10 R CA 0.000 56.098 56.100 -0.004 0.000 0.921 10 R CB 0.000 30.298 30.300 -0.003 0.000 0.687 11 K N 1.290 121.690 120.400 0.001 0.000 2.737 11 K HA 0.257 4.578 4.320 0.001 0.000 0.251 11 K C 0.279 176.881 176.600 0.002 0.000 1.280 11 K CA 0.220 56.508 56.287 0.003 0.000 1.219 11 K CB 0.592 33.096 32.500 0.006 0.000 1.587 11 K HN 0.157 nan 8.250 nan 0.000 0.279 12 Q N -0.283 119.517 119.800 -0.000 0.000 2.010 12 Q HA 0.224 4.564 4.340 0.001 0.000 0.215 12 Q C -0.279 175.718 176.000 -0.004 0.000 0.697 12 Q CA 0.158 55.960 55.803 -0.002 0.000 0.855 12 Q CB 0.841 29.577 28.738 -0.003 0.000 1.235 12 Q HN 0.354 nan 8.270 nan 0.000 0.442 13 I N 1.803 122.370 120.570 -0.005 0.000 2.329 13 I HA 0.198 4.369 4.170 0.001 0.000 0.295 13 I C 0.132 176.246 176.117 -0.004 0.000 1.109 13 I CA 0.150 61.446 61.300 -0.007 0.000 1.297 13 I CB 0.835 38.829 38.000 -0.010 0.000 1.433 13 I HN -0.101 nan 8.210 nan 0.000 0.509 14 S N 3.871 119.570 115.700 -0.003 0.000 2.570 14 S HA 0.414 4.884 4.470 0.001 0.000 0.270 14 S C 0.588 175.189 174.600 0.002 0.000 1.149 14 S CA -0.741 57.459 58.200 0.001 0.000 0.837 14 S CB 1.798 65.000 63.200 0.003 0.000 1.124 14 S HN 0.251 nan 8.310 nan 0.000 0.465 15 V N 3.289 123.206 119.914 0.006 0.000 3.041 15 V HA 0.050 4.170 4.120 0.001 0.000 0.260 15 V C 2.263 178.363 176.094 0.010 0.000 1.105 15 V CA 1.304 63.609 62.300 0.010 0.000 1.125 15 V CB -1.278 30.553 31.823 0.015 0.000 0.730 15 V HN 0.884 nan 8.190 nan 0.000 0.479 16 R N 2.398 122.904 120.500 0.009 0.000 2.805 16 R HA -0.265 4.076 4.340 0.001 0.000 0.276 16 R C 1.576 177.883 176.300 0.011 0.000 0.719 16 R CA 2.280 58.386 56.100 0.009 0.000 0.586 16 R CB -1.466 28.838 30.300 0.007 0.000 0.640 16 R HN 0.500 nan 8.270 nan 0.000 0.330 17 G N -0.876 107.930 108.800 0.010 0.000 3.741 17 G HA2 0.347 4.307 3.960 0.001 0.000 0.263 17 G HA3 0.347 4.307 3.960 0.001 0.000 0.263 17 G C 0.144 175.051 174.900 0.013 0.000 1.175 17 G CA -0.296 44.812 45.100 0.013 0.000 1.642 17 G HN 0.211 nan 8.290 nan 0.000 0.644 18 L N 0.371 121.600 121.223 0.010 0.000 2.470 18 L HA 0.414 4.754 4.340 0.001 0.000 0.219 18 L C 1.671 178.534 176.870 -0.012 0.000 1.071 18 L CA 0.432 55.272 54.840 -0.000 0.000 0.850 18 L CB 0.375 42.432 42.059 -0.002 0.000 1.040 18 L HN 0.264 nan 8.230 nan 0.000 0.475 19 A N -0.325 122.502 122.820 0.011 0.000 2.394 19 A HA 0.682 5.002 4.320 0.001 0.000 0.333 19 A C 0.633 178.275 177.584 0.096 0.000 1.397 19 A CA -0.057 52.006 52.037 0.044 0.000 0.884 19 A CB -0.130 18.913 19.000 0.071 0.000 1.147 19 A HN 0.179 nan 8.150 nan 0.000 0.505 20 G N 2.044 110.916 108.800 0.120 0.000 4.198 20 G HA2 0.384 4.344 3.960 0.001 0.000 0.282 20 G HA3 0.384 4.344 3.960 0.001 0.000 0.282 20 G C 0.832 175.820 174.900 0.147 0.000 1.262 20 G CA 0.051 45.215 45.100 0.107 0.000 1.473 20 G HN 0.487 nan 8.290 nan 0.000 0.624 21 V N 0.314 120.328 119.914 0.166 0.000 2.225 21 V HA -0.175 3.945 4.120 0.001 0.000 0.252 21 V C 1.632 177.713 176.094 -0.022 0.000 1.055 21 V CA 1.703 64.065 62.300 0.103 0.000 1.032 21 V CB -0.110 31.744 31.823 0.052 0.000 0.655 21 V HN 0.414 nan 8.190 nan 0.000 0.458 22 E N 2.098 122.289 120.200 -0.016 0.000 1.944 22 E HA 0.195 4.546 4.350 0.001 0.000 0.272 22 E C -0.528 176.070 176.600 -0.003 0.000 1.195 22 E CA 0.196 56.575 56.400 -0.033 0.000 0.926 22 E CB -0.757 28.926 29.700 -0.029 0.000 1.051 22 E HN 0.476 nan 8.360 nan 0.000 0.404 23 N N 2.855 121.556 118.700 0.002 0.000 2.929 23 N HA 0.022 4.763 4.740 0.001 0.000 0.245 23 N C 0.498 176.024 175.510 0.028 0.000 1.081 23 N CA -0.205 52.857 53.050 0.021 0.000 1.048 23 N CB 1.528 40.039 38.487 0.040 0.000 1.629 23 N HN 0.024 nan 8.380 nan 0.000 0.598 24 V N 1.845 121.771 119.914 0.020 0.000 2.307 24 V HA -0.182 3.939 4.120 0.001 0.000 0.245 24 V C 2.153 178.266 176.094 0.032 0.000 1.045 24 V CA 2.059 64.372 62.300 0.022 0.000 1.024 24 V CB -0.447 31.386 31.823 0.016 0.000 0.651 24 V HN 0.716 nan 8.190 nan 0.000 0.449 25 T N -0.372 114.200 114.554 0.030 0.000 2.699 25 T HA -0.225 4.125 4.350 0.001 0.000 0.268 25 T C 1.851 176.583 174.700 0.054 0.000 1.036 25 T CA 1.679 63.799 62.100 0.034 0.000 1.147 25 T CB -0.248 68.636 68.868 0.027 0.000 0.862 25 T HN 0.450 nan 8.240 nan 0.000 0.446 26 E N 0.609 120.849 120.200 0.067 0.000 2.158 26 E HA 0.106 4.457 4.350 0.001 0.000 0.191 26 E C 2.339 179.018 176.600 0.131 0.000 0.982 26 E CA 0.382 56.838 56.400 0.093 0.000 0.823 26 E CB -0.273 29.488 29.700 0.102 0.000 0.766 26 E HN 0.462 nan 8.360 nan 0.000 0.468 27 L N 0.899 122.200 121.223 0.130 0.000 2.056 27 L HA -0.157 4.183 4.340 0.001 0.000 0.207 27 L C 2.411 179.387 176.870 0.176 0.000 1.078 27 L CA 1.113 56.053 54.840 0.167 0.000 0.749 27 L CB -0.241 41.884 42.059 0.110 0.000 0.901 27 L HN 0.035 nan 8.230 nan 0.000 0.433 28 K N 0.180 120.646 120.400 0.110 0.000 2.097 28 K HA -0.228 4.092 4.320 0.001 0.000 0.205 28 K C 2.057 178.754 176.600 0.162 0.000 1.050 28 K CA 1.178 57.522 56.287 0.095 0.000 0.938 28 K CB -0.117 32.397 32.500 0.024 0.000 0.718 28 K HN 0.246 nan 8.250 nan 0.000 0.442 29 K N 1.362 121.838 120.400 0.127 0.000 2.002 29 K HA -0.134 4.186 4.320 0.001 0.000 0.209 29 K C 1.818 178.494 176.600 0.126 0.000 1.048 29 K CA 1.448 57.800 56.287 0.107 0.000 0.930 29 K CB -0.002 32.545 32.500 0.077 0.000 0.714 29 K HN 0.027 nan 8.250 nan 0.000 0.438 30 N N 0.148 118.943 118.700 0.159 0.000 2.244 30 N HA -0.157 4.583 4.740 0.001 0.000 0.183 30 N C 1.681 177.335 175.510 0.241 0.000 1.016 30 N CA 1.062 54.214 53.050 0.170 0.000 0.866 30 N CB -0.285 38.330 38.487 0.212 0.000 0.980 30 N HN 0.214 nan 8.380 nan 0.000 0.430 31 F N 2.607 122.645 119.950 0.147 0.000 2.095 31 F HA -0.119 4.409 4.527 0.001 0.000 0.298 31 F C 2.064 177.926 175.800 0.103 0.000 1.104 31 F CA 1.305 59.390 58.000 0.142 0.000 1.232 31 F CB -0.368 38.689 39.000 0.094 0.000 0.987 31 F HN -0.043 nan 8.300 nan 0.000 0.475 32 N N 0.694 119.552 118.700 0.262 0.000 2.120 32 N HA -0.160 4.580 4.740 0.001 0.000 0.188 32 N C 2.040 177.539 175.510 -0.018 0.000 1.024 32 N CA 1.337 54.496 53.050 0.182 0.000 0.852 32 N CB -0.382 38.214 38.487 0.182 0.000 1.003 32 N HN 0.377 nan 8.380 nan 0.000 0.424 33 R N -0.052 120.372 120.500 -0.127 0.000 2.096 33 R HA -0.137 4.204 4.340 0.001 0.000 0.240 33 R C 1.984 178.035 176.300 -0.415 0.000 1.139 33 R CA 1.467 57.365 56.100 -0.337 0.000 0.952 33 R CB -0.539 29.617 30.300 -0.239 0.000 0.854 33 R HN 0.503 nan 8.270 nan 0.000 0.436 34 H N -0.080 118.859 119.070 -0.217 0.000 2.357 34 H HA -0.088 4.468 4.556 0.001 0.000 0.301 34 H C 1.996 177.107 175.328 -0.360 0.000 1.082 34 H CA 1.374 57.257 56.048 -0.275 0.000 1.342 34 H CB -0.014 29.586 29.762 -0.271 0.000 1.389 34 H HN 0.039 nan 8.280 nan 0.000 0.511 35 L N -0.019 120.989 121.223 -0.358 0.000 2.042 35 L HA -0.212 4.129 4.340 0.001 0.000 0.210 35 L C 1.756 178.315 176.870 -0.519 0.000 1.076 35 L CA 1.845 56.410 54.840 -0.458 0.000 0.749 35 L CB -0.249 41.500 42.059 -0.516 0.000 0.893 35 L HN 0.303 nan 8.230 nan 0.000 0.432 36 H N -2.216 116.659 119.070 -0.325 0.000 2.294 36 H HA 0.013 4.569 4.556 0.001 0.000 0.306 36 H C 1.532 176.692 175.328 -0.281 0.000 1.065 36 H CA 2.223 58.050 56.048 -0.368 0.000 1.343 36 H CB -0.095 29.293 29.762 -0.624 0.000 1.396 36 H HN 0.255 nan 8.280 nan 0.000 0.506 37 F N -0.674 119.268 119.950 -0.012 0.000 2.698 37 F HA 0.107 4.634 4.527 0.001 0.000 0.295 37 F C 2.003 177.736 175.800 -0.111 0.000 1.124 37 F CA 0.516 58.477 58.000 -0.065 0.000 1.426 37 F CB -0.444 38.504 39.000 -0.087 0.000 1.120 37 F HN 0.060 nan 8.300 nan 0.000 0.583 38 T N -0.475 114.068 114.554 -0.018 0.000 3.010 38 T HA 0.065 4.416 4.350 0.001 0.000 0.252 38 T C 1.798 176.423 174.700 -0.125 0.000 1.047 38 T CA 0.648 62.696 62.100 -0.088 0.000 1.140 38 T CB -0.100 68.670 68.868 -0.164 0.000 0.885 38 T HN -0.004 nan 8.240 nan 0.000 0.464 39 L N 0.840 121.970 121.223 -0.155 0.000 2.354 39 L HA 0.297 4.637 4.340 0.001 0.000 0.212 39 L C 0.596 177.381 176.870 -0.141 0.000 1.091 39 L CA 0.447 55.183 54.840 -0.173 0.000 0.828 39 L CB -0.333 41.590 42.059 -0.227 0.000 0.973 39 L HN 0.018 nan 8.230 nan 0.000 0.461 40 V N 0.747 120.597 119.914 -0.107 0.000 6.125 40 V HA -0.283 3.837 4.120 0.001 0.000 0.281 40 V C 0.246 176.287 176.094 -0.088 0.000 0.591 40 V CA 0.763 63.031 62.300 -0.053 0.000 0.617 40 V CB -2.043 29.770 31.823 -0.017 0.000 0.336 40 V HN 0.387 nan 8.190 nan 0.000 0.650 41 K N 1.044 121.354 120.400 -0.151 0.000 2.399 41 K HA 0.862 5.182 4.320 0.001 0.000 0.260 41 K C -0.657 175.819 176.600 -0.206 0.000 1.049 41 K CA -0.349 55.835 56.287 -0.171 0.000 0.890 41 K CB 2.700 35.058 32.500 -0.237 0.000 1.430 41 K HN 0.543 nan 8.250 nan 0.000 0.459 42 D N -2.290 118.027 120.400 -0.138 0.000 2.615 42 D HA 0.214 4.854 4.640 0.001 0.000 0.267 42 D C 0.345 176.660 176.300 0.025 0.000 1.236 42 D CA -0.866 53.119 54.000 -0.026 0.000 0.839 42 D CB 0.691 41.566 40.800 0.126 0.000 1.380 42 D HN 0.431 nan 8.370 nan 0.000 0.433 43 R N 0.241 120.822 120.500 0.134 0.000 2.249 43 R HA -0.069 4.271 4.340 0.001 0.000 0.230 43 R C 0.351 176.716 176.300 0.110 0.000 1.121 43 R CA 1.460 57.666 56.100 0.177 0.000 0.997 43 R CB -0.957 29.457 30.300 0.190 0.000 0.867 43 R HN 0.356 nan 8.270 nan 0.000 0.465 44 N N -0.211 118.528 118.700 0.066 0.000 2.463 44 N HA -0.004 4.736 4.740 0.001 0.000 0.181 44 N C 0.960 176.480 175.510 0.015 0.000 1.078 44 N CA 0.527 53.602 53.050 0.043 0.000 0.902 44 N CB 0.607 39.113 38.487 0.032 0.000 0.970 44 N HN -0.003 nan 8.380 nan 0.000 0.451 45 V N -0.249 119.658 119.914 -0.012 0.000 3.572 45 V HA 0.364 4.484 4.120 0.001 0.000 0.260 45 V C 0.574 176.604 176.094 -0.108 0.000 1.324 45 V CA -0.043 62.228 62.300 -0.049 0.000 1.068 45 V CB 0.107 31.900 31.823 -0.050 0.000 0.837 45 V HN 0.259 nan 8.190 nan 0.000 0.450 46 A N 0.191 122.917 122.820 -0.157 0.000 2.445 46 A HA 0.501 4.822 4.320 0.001 0.000 0.242 46 A C 0.313 177.687 177.584 -0.349 0.000 1.075 46 A CA 0.817 52.635 52.037 -0.364 0.000 0.777 46 A CB 0.381 19.006 19.000 -0.626 0.000 1.013 46 A HN 0.281 nan 8.150 nan 0.000 0.493 47 T N 1.215 115.517 114.554 -0.419 0.000 2.930 47 T HA 0.545 4.895 4.350 0.001 0.000 0.290 47 T C -1.946 172.621 174.700 -0.222 0.000 1.052 47 T CA -1.528 60.434 62.100 -0.230 0.000 1.017 47 T CB 1.431 70.198 68.868 -0.169 0.000 1.137 47 T HN 0.314 nan 8.240 nan 0.000 0.511 48 P HA -0.168 nan 4.420 nan 0.000 0.217 48 P C 1.452 178.852 177.300 0.167 0.000 1.158 48 P CA 1.360 64.562 63.100 0.171 0.000 0.887 48 P CB 0.101 31.883 31.700 0.135 0.000 0.792 49 R N -0.371 120.177 120.500 0.080 0.000 2.120 49 R HA -0.157 4.184 4.340 0.001 0.000 0.234 49 R C 1.551 177.981 176.300 0.217 0.000 1.123 49 R CA 1.787 58.000 56.100 0.187 0.000 0.975 49 R CB -0.594 29.704 30.300 -0.003 0.000 0.866 49 R HN 0.162 nan 8.270 nan 0.000 0.446 50 D N -0.513 119.835 120.400 -0.087 0.000 2.149 50 D HA -0.148 4.492 4.640 0.001 0.000 0.201 50 D C 1.608 177.851 176.300 -0.094 0.000 0.972 50 D CA 1.120 55.002 54.000 -0.197 0.000 0.835 50 D CB -0.214 40.337 40.800 -0.414 0.000 0.966 50 D HN 0.276 nan 8.370 nan 0.000 0.476 51 Y N 0.186 120.568 120.300 0.137 0.000 2.200 51 Y HA -0.191 4.359 4.550 0.001 0.000 0.290 51 Y C 2.314 178.355 175.900 0.234 0.000 1.137 51 Y CA 0.230 58.468 58.100 0.229 0.000 1.163 51 Y CB -1.110 37.529 38.460 0.298 0.000 0.988 51 Y HN 0.062 nan 8.280 nan 0.000 0.518 52 Y N -0.420 120.080 120.300 0.334 0.000 2.097 52 Y HA -0.294 4.256 4.550 0.001 0.000 0.282 52 Y C 2.036 178.037 175.900 0.168 0.000 1.152 52 Y CA 1.316 59.556 58.100 0.233 0.000 1.136 52 Y CB -1.172 37.394 38.460 0.177 0.000 0.975 52 Y HN 0.030 nan 8.280 nan 0.000 0.498 53 F N 0.284 119.950 119.950 -0.473 0.000 2.216 53 F HA -0.153 4.374 4.527 0.001 0.000 0.300 53 F C 2.621 178.236 175.800 -0.309 0.000 1.085 53 F CA 1.476 59.176 58.000 -0.500 0.000 1.326 53 F CB -1.001 37.895 39.000 -0.175 0.000 1.027 53 F HN 0.214 nan 8.300 nan 0.000 0.497 54 A N -0.411 122.366 122.820 -0.072 0.000 1.898 54 A HA -0.155 4.165 4.320 0.001 0.000 0.216 54 A C 2.085 179.525 177.584 -0.240 0.000 1.181 54 A CA 1.519 53.387 52.037 -0.282 0.000 0.620 54 A CB -0.999 17.569 19.000 -0.720 0.000 0.819 54 A HN 0.340 nan 8.150 nan 0.000 0.442 55 L N -0.341 120.875 121.223 -0.011 0.000 2.093 55 L HA 0.039 4.379 4.340 0.001 0.000 0.208 55 L C 2.635 179.454 176.870 -0.085 0.000 1.085 55 L CA 1.975 56.906 54.840 0.151 0.000 0.755 55 L CB -0.806 41.414 42.059 0.268 0.000 0.904 55 L HN 0.331 nan 8.230 nan 0.000 0.435 56 A N -1.062 121.526 122.820 -0.387 0.000 1.883 56 A HA -0.297 4.023 4.320 0.001 0.000 0.217 56 A C 2.155 179.286 177.584 -0.756 0.000 1.186 56 A CA 2.124 53.748 52.037 -0.687 0.000 0.624 56 A CB -1.121 17.128 19.000 -1.252 0.000 0.822 56 A HN 0.676 nan 8.150 nan 0.000 0.444 57 H N -0.994 117.697 119.070 -0.632 0.000 2.423 57 H HA -0.039 4.517 4.556 0.001 0.000 0.297 57 H C 2.326 177.273 175.328 -0.635 0.000 1.075 57 H CA 1.782 57.401 56.048 -0.715 0.000 1.342 57 H CB -0.016 29.169 29.762 -0.962 0.000 1.395 57 H HN 0.484 nan 8.280 nan 0.000 0.530 58 T N -0.366 114.041 114.554 -0.245 0.000 2.701 58 T HA -0.138 4.212 4.350 0.001 0.000 0.263 58 T C 2.264 177.067 174.700 0.172 0.000 1.040 58 T CA 1.393 63.521 62.100 0.048 0.000 1.147 58 T CB -0.438 68.552 68.868 0.204 0.000 0.865 58 T HN 0.091 nan 8.240 nan 0.000 0.426 59 V N 1.404 121.410 119.914 0.153 0.000 2.407 59 V HA -0.133 3.987 4.120 0.001 0.000 0.248 59 V C 2.608 178.859 176.094 0.261 0.000 1.055 59 V CA 1.540 63.993 62.300 0.255 0.000 1.049 59 V CB -0.625 31.351 31.823 0.254 0.000 0.662 59 V HN 0.345 nan 8.190 nan 0.000 0.455 60 R N 0.011 120.587 120.500 0.127 0.000 2.127 60 R HA -0.193 4.148 4.340 0.001 0.000 0.238 60 R C 1.969 178.322 176.300 0.088 0.000 1.134 60 R CA 1.753 57.921 56.100 0.112 0.000 0.975 60 R CB -0.296 29.914 30.300 -0.150 0.000 0.865 60 R HN 0.527 nan 8.270 nan 0.000 0.447 61 D N -0.599 119.821 120.400 0.034 0.000 2.149 61 D HA -0.152 4.488 4.640 0.001 0.000 0.198 61 D C 1.649 177.899 176.300 -0.083 0.000 0.990 61 D CA 1.430 55.409 54.000 -0.035 0.000 0.839 61 D CB -0.277 40.456 40.800 -0.113 0.000 0.948 61 D HN 0.502 nan 8.370 nan 0.000 0.460 62 H N -0.082 119.036 119.070 0.079 0.000 2.363 62 H HA 0.084 4.640 4.556 0.001 0.000 0.301 62 H C 2.285 177.642 175.328 0.048 0.000 1.074 62 H CA 0.479 56.562 56.048 0.058 0.000 1.354 62 H CB -0.046 29.744 29.762 0.045 0.000 1.397 62 H HN 0.025 nan 8.280 nan 0.000 0.516 63 L N 0.518 121.842 121.223 0.168 0.000 1.989 63 L HA -0.192 4.148 4.340 0.001 0.000 0.211 63 L C 2.466 179.398 176.870 0.103 0.000 1.071 63 L CA 1.423 56.304 54.840 0.069 0.000 0.749 63 L CB -0.340 41.727 42.059 0.013 0.000 0.890 63 L HN 0.317 nan 8.230 nan 0.000 0.431 64 V N -3.019 116.995 119.914 0.166 0.000 2.515 64 V HA -0.091 4.030 4.120 0.001 0.000 0.250 64 V C 2.391 178.616 176.094 0.219 0.000 1.058 64 V CA 1.607 64.085 62.300 0.297 0.000 1.064 64 V CB -1.855 30.140 31.823 0.287 0.000 0.675 64 V HN 0.448 nan 8.190 nan 0.000 0.461 65 G N 0.445 109.321 108.800 0.126 0.000 2.476 65 G HA2 -0.285 3.675 3.960 0.001 0.000 0.218 65 G HA3 -0.285 3.675 3.960 0.001 0.000 0.218 65 G C 1.794 176.753 174.900 0.098 0.000 1.164 65 G CA 1.209 46.362 45.100 0.089 0.000 0.768 65 G HN 0.513 nan 8.290 nan 0.000 0.560 66 R N -1.497 119.066 120.500 0.104 0.000 2.075 66 R HA -0.058 4.283 4.340 0.001 0.000 0.232 66 R C 2.257 178.641 176.300 0.140 0.000 1.126 66 R CA 1.097 57.245 56.100 0.079 0.000 0.963 66 R CB -0.426 29.899 30.300 0.042 0.000 0.858 66 R HN 0.487 nan 8.270 nan 0.000 0.435 67 W N 1.696 122.975 121.300 -0.034 0.000 2.317 67 W HA -0.195 4.465 4.660 0.001 0.000 0.318 67 W C 1.693 178.179 176.519 -0.055 0.000 1.227 67 W CA 1.323 58.639 57.345 -0.047 0.000 1.269 67 W CB -0.739 28.709 29.460 -0.019 0.000 1.155 67 W HN -0.015 nan 8.180 nan 0.000 0.484 68 I N 0.279 120.948 120.570 0.166 0.000 2.163 68 I HA -0.364 3.806 4.170 0.001 0.000 0.243 68 I C 2.774 178.888 176.117 -0.005 0.000 1.085 68 I CA 1.699 62.988 61.300 -0.017 0.000 1.347 68 I CB -0.653 37.343 38.000 -0.006 0.000 1.044 68 I HN -0.076 nan 8.210 nan 0.000 0.408 69 R N 0.088 120.602 120.500 0.024 0.000 2.073 69 R HA -0.138 4.203 4.340 0.001 0.000 0.234 69 R C 2.337 178.619 176.300 -0.031 0.000 1.134 69 R CA 2.068 58.169 56.100 0.003 0.000 0.952 69 R CB -0.944 29.357 30.300 0.001 0.000 0.850 69 R HN 0.378 nan 8.270 nan 0.000 0.433 70 T N 1.548 116.062 114.554 -0.066 0.000 2.665 70 T HA -0.161 4.190 4.350 0.001 0.000 0.268 70 T C 1.849 176.310 174.700 -0.399 0.000 1.035 70 T CA 1.262 63.221 62.100 -0.235 0.000 1.151 70 T CB -0.135 68.624 68.868 -0.182 0.000 0.862 70 T HN 0.211 nan 8.240 nan 0.000 0.438 71 Q N 0.968 120.646 119.800 -0.204 0.000 2.119 71 Q HA -0.010 4.330 4.340 0.001 0.000 0.201 71 Q C 2.344 178.341 176.000 -0.005 0.000 0.972 71 Q CA 1.240 56.965 55.803 -0.130 0.000 0.847 71 Q CB -0.430 28.235 28.738 -0.121 0.000 0.903 71 Q HN 0.626 nan 8.270 nan 0.000 0.433 72 Q N -0.590 119.221 119.800 0.017 0.000 2.119 72 Q HA -0.185 4.156 4.340 0.001 0.000 0.201 72 Q C 1.958 178.057 176.000 0.165 0.000 0.972 72 Q CA 1.289 57.160 55.803 0.114 0.000 0.847 72 Q CB -0.143 28.644 28.738 0.083 0.000 0.903 72 Q HN 0.487 nan 8.270 nan 0.000 0.433 73 H N -0.632 118.424 119.070 -0.023 0.000 2.319 73 H HA -0.194 4.363 4.556 0.001 0.000 0.299 73 H C 1.192 176.588 175.328 0.115 0.000 1.092 73 H CA 1.875 57.920 56.048 -0.004 0.000 1.302 73 H CB -0.074 29.634 29.762 -0.090 0.000 1.373 73 H HN 0.262 nan 8.280 nan 0.000 0.497 74 Y N -1.184 119.124 120.300 0.014 0.000 2.373 74 Y HA -0.114 4.437 4.550 0.001 0.000 0.293 74 Y C 2.233 178.142 175.900 0.015 0.000 1.129 74 Y CA 0.721 58.784 58.100 -0.063 0.000 1.226 74 Y CB -1.066 37.436 38.460 0.069 0.000 1.000 74 Y HN 0.354 nan 8.280 nan 0.000 0.549 75 Y N 1.135 121.502 120.300 0.113 0.000 2.220 75 Y HA -0.125 4.425 4.550 0.001 0.000 0.291 75 Y C 1.937 177.856 175.900 0.032 0.000 1.129 75 Y CA 1.612 59.756 58.100 0.075 0.000 1.161 75 Y CB -0.086 38.405 38.460 0.052 0.000 0.997 75 Y HN -0.030 nan 8.280 nan 0.000 0.522 76 E N -0.054 120.048 120.200 -0.164 0.000 2.216 76 E HA -0.066 4.284 4.350 0.001 0.000 0.192 76 E C 1.890 178.381 176.600 -0.181 0.000 0.988 76 E CA 0.807 57.070 56.400 -0.228 0.000 0.834 76 E CB -0.058 29.597 29.700 -0.075 0.000 0.772 76 E HN 0.176 nan 8.360 nan 0.000 0.479 77 K N 0.537 120.831 120.400 -0.176 0.000 2.400 77 K HA -0.031 4.289 4.320 0.001 0.000 0.194 77 K C -0.333 176.212 176.600 -0.092 0.000 1.033 77 K CA 0.512 56.707 56.287 -0.154 0.000 1.021 77 K CB 0.186 32.517 32.500 -0.282 0.000 0.808 77 K HN -0.073 nan 8.250 nan 0.000 0.505 78 D N 0.708 121.069 120.400 -0.066 0.000 2.686 78 D HA -0.142 4.499 4.640 0.001 0.000 0.235 78 D C -2.316 173.993 176.300 0.016 0.000 1.160 78 D CA 0.487 54.489 54.000 0.004 0.000 0.645 78 D CB -0.258 40.543 40.800 0.001 0.000 1.039 78 D HN 0.303 nan 8.370 nan 0.000 0.423 79 P HA 0.095 nan 4.420 nan 0.000 0.274 79 P C -0.134 177.144 177.300 -0.036 0.000 1.256 79 P CA -0.551 62.522 63.100 -0.046 0.000 0.795 79 P CB 0.639 32.273 31.700 -0.110 0.000 1.038 80 K N 1.493 121.877 120.400 -0.027 0.000 2.484 80 K HA -0.005 4.315 4.320 0.001 0.000 0.280 80 K C -0.053 176.481 176.600 -0.110 0.000 1.013 80 K CA 0.327 56.591 56.287 -0.038 0.000 1.029 80 K CB 0.153 32.647 32.500 -0.010 0.000 0.902 80 K HN 0.295 nan 8.250 nan 0.000 0.481 81 R N 4.125 124.548 120.500 -0.128 0.000 2.460 81 R HA 0.386 4.727 4.340 0.001 0.000 0.303 81 R C -0.488 175.568 176.300 -0.407 0.000 0.968 81 R CA -0.737 55.217 56.100 -0.243 0.000 0.889 81 R CB 1.271 31.475 30.300 -0.159 0.000 1.123 81 R HN 0.639 nan 8.270 nan 0.000 0.455 82 I N 3.311 123.583 120.570 -0.496 0.000 2.377 82 I HA 0.319 4.489 4.170 0.001 0.000 0.293 82 I C -1.420 174.427 176.117 -0.450 0.000 0.987 82 I CA -0.746 60.220 61.300 -0.556 0.000 1.185 82 I CB 0.972 38.431 38.000 -0.901 0.000 1.341 82 I HN 0.640 nan 8.210 nan 0.000 0.455 83 Y N 7.460 127.743 120.300 -0.028 0.000 2.388 83 Y HA 0.278 4.828 4.550 0.001 0.000 0.328 83 Y C -0.746 175.265 175.900 0.185 0.000 0.963 83 Y CA -0.570 57.631 58.100 0.168 0.000 1.240 83 Y CB 1.015 39.509 38.460 0.056 0.000 1.118 83 Y HN 0.456 nan 8.280 nan 0.000 0.484 84 Y N 4.990 125.478 120.300 0.313 0.000 2.454 84 Y HA 0.500 5.051 4.550 0.001 0.000 0.345 84 Y C -0.856 175.299 175.900 0.425 0.000 0.970 84 Y CA -0.988 57.292 58.100 0.300 0.000 1.204 84 Y CB 0.416 39.052 38.460 0.293 0.000 1.122 84 Y HN 0.437 nan 8.280 nan 0.000 0.514 85 L N 5.485 126.762 121.223 0.090 0.000 2.287 85 L HA 0.571 4.911 4.340 0.001 0.000 0.287 85 L C -0.084 176.804 176.870 0.031 0.000 1.022 85 L CA -0.626 54.343 54.840 0.215 0.000 0.814 85 L CB 1.383 43.540 42.059 0.162 0.000 1.217 85 L HN 0.511 nan 8.230 nan 0.000 0.420 86 S N 2.068 117.810 115.700 0.071 0.000 2.569 86 S HA 0.522 4.993 4.470 0.001 0.000 0.280 86 S C -0.103 174.489 174.600 -0.013 0.000 1.111 86 S CA -0.494 57.620 58.200 -0.144 0.000 0.887 86 S CB 1.943 64.795 63.200 -0.580 0.000 1.095 86 S HN 0.550 nan 8.310 nan 0.000 0.476 87 L N 2.626 123.875 121.223 0.043 0.000 2.611 87 L HA 0.511 4.851 4.340 0.001 0.000 0.229 87 L C -0.164 176.781 176.870 0.125 0.000 1.137 87 L CA 0.811 55.733 54.840 0.135 0.000 0.901 87 L CB -0.367 41.739 42.059 0.077 0.000 1.098 87 L HN 0.680 nan 8.230 nan 0.000 0.456 88 E N -1.436 118.717 120.200 -0.078 0.000 2.335 88 E HA 0.340 4.690 4.350 0.001 0.000 0.280 88 E C -1.467 174.973 176.600 -0.267 0.000 0.918 88 E CA -0.438 55.935 56.400 -0.046 0.000 0.765 88 E CB 1.736 31.361 29.700 -0.126 0.000 1.218 88 E HN -0.201 nan 8.360 nan 0.000 0.425 89 F N 2.169 122.192 119.950 0.122 0.000 2.513 89 F HA 0.214 4.742 4.527 0.001 0.000 0.358 89 F C -0.869 175.003 175.800 0.120 0.000 1.118 89 F CA -0.709 57.358 58.000 0.113 0.000 1.037 89 F CB 0.926 39.987 39.000 0.101 0.000 1.276 89 F HN 0.466 nan 8.300 nan 0.000 0.446 90 Y N 5.386 125.736 120.300 0.083 0.000 2.802 90 Y HA 0.263 4.814 4.550 0.001 0.000 0.330 90 Y C 0.785 176.677 175.900 -0.013 0.000 1.193 90 Y CA -1.159 56.936 58.100 -0.008 0.000 1.427 90 Y CB 0.433 38.870 38.460 -0.039 0.000 1.357 90 Y HN 0.541 nan 8.280 nan 0.000 0.501 91 M N 1.926 121.583 119.600 0.094 0.000 2.334 91 M HA 0.138 4.618 4.480 0.001 0.000 0.266 91 M C 1.377 177.581 176.300 -0.159 0.000 1.082 91 M CA 0.941 56.217 55.300 -0.039 0.000 1.141 91 M CB -0.999 31.571 32.600 -0.049 0.000 1.380 91 M HN 0.723 nan 8.290 nan 0.000 0.440 92 G N 3.597 112.283 108.800 -0.190 0.000 2.220 92 G HA2 -0.283 3.678 3.960 0.001 0.000 0.248 92 G HA3 -0.283 3.678 3.960 0.001 0.000 0.248 92 G C -0.349 174.425 174.900 -0.211 0.000 0.791 92 G CA 0.498 45.458 45.100 -0.234 0.000 1.197 92 G HN 0.612 nan 8.290 nan 0.000 0.336 93 R N -0.358 120.045 120.500 -0.161 0.000 1.430 93 R HA -0.151 4.190 4.340 0.001 0.000 0.404 93 R C 0.845 176.990 176.300 -0.259 0.000 1.314 93 R CA 0.945 56.951 56.100 -0.157 0.000 1.171 93 R CB -1.532 28.681 30.300 -0.145 0.000 3.410 93 R HN 0.558 nan 8.270 nan 0.000 0.488 94 T N 2.690 117.021 114.554 -0.371 0.000 2.990 94 T HA 0.125 4.476 4.350 0.001 0.000 0.250 94 T C 1.640 175.972 174.700 -0.613 0.000 1.041 94 T CA 0.003 61.694 62.100 -0.680 0.000 1.010 94 T CB 0.265 68.347 68.868 -1.309 0.000 1.003 94 T HN 0.425 nan 8.240 nan 0.000 0.499 95 L N 1.031 122.120 121.223 -0.223 0.000 1.988 95 L HA -0.068 4.273 4.340 0.001 0.000 0.207 95 L C 2.673 179.509 176.870 -0.057 0.000 1.071 95 L CA 1.706 56.570 54.840 0.039 0.000 0.744 95 L CB -0.288 41.962 42.059 0.318 0.000 0.893 95 L HN 0.272 nan 8.230 nan 0.000 0.433 96 Q N -0.339 119.421 119.800 -0.067 0.000 2.119 96 Q HA -0.241 4.099 4.340 0.001 0.000 0.201 96 Q C 2.008 177.932 176.000 -0.126 0.000 0.972 96 Q CA 1.599 57.356 55.803 -0.076 0.000 0.847 96 Q CB -0.040 28.651 28.738 -0.079 0.000 0.903 96 Q HN 0.504 nan 8.270 nan 0.000 0.433 97 N N -0.870 117.715 118.700 -0.192 0.000 2.069 97 N HA -0.161 4.579 4.740 0.001 0.000 0.191 97 N C 1.424 176.825 175.510 -0.182 0.000 1.031 97 N CA 1.952 54.881 53.050 -0.202 0.000 0.852 97 N CB 0.026 38.352 38.487 -0.267 0.000 1.018 97 N HN 0.219 nan 8.380 nan 0.000 0.423 98 T N 1.722 116.133 114.554 -0.239 0.000 2.674 98 T HA -0.111 4.239 4.350 0.001 0.000 0.265 98 T C 2.134 176.768 174.700 -0.109 0.000 1.039 98 T CA 1.347 63.325 62.100 -0.203 0.000 1.150 98 T CB -0.166 68.525 68.868 -0.296 0.000 0.864 98 T HN 0.255 nan 8.240 nan 0.000 0.427 99 M N 0.934 120.490 119.600 -0.073 0.000 2.082 99 M HA -0.129 4.352 4.480 0.001 0.000 0.258 99 M C 2.735 178.996 176.300 -0.064 0.000 1.071 99 M CA 1.748 57.019 55.300 -0.049 0.000 1.103 99 M CB -0.896 31.692 32.600 -0.020 0.000 1.307 99 M HN 0.295 nan 8.290 nan 0.000 0.409 100 V N -0.545 119.339 119.914 -0.049 0.000 2.515 100 V HA -0.178 3.942 4.120 0.001 0.000 0.250 100 V C 1.529 177.600 176.094 -0.038 0.000 1.058 100 V CA 2.225 64.514 62.300 -0.018 0.000 1.064 100 V CB -0.818 31.034 31.823 0.048 0.000 0.675 100 V HN 0.412 nan 8.190 nan 0.000 0.461 101 N N 0.098 118.775 118.700 -0.038 0.000 2.453 101 N HA 0.023 4.764 4.740 0.001 0.000 0.183 101 N C 1.083 176.468 175.510 -0.208 0.000 1.041 101 N CA 1.176 54.185 53.050 -0.068 0.000 0.900 101 N CB -0.152 38.321 38.487 -0.022 0.000 0.961 101 N HN 0.456 nan 8.380 nan 0.000 0.443 102 L N -0.743 120.382 121.223 -0.164 0.000 2.693 102 L HA 0.423 4.763 4.340 0.001 0.000 0.235 102 L C 0.739 177.507 176.870 -0.170 0.000 1.127 102 L CA -0.102 54.643 54.840 -0.158 0.000 0.914 102 L CB -0.498 41.499 42.059 -0.103 0.000 1.193 102 L HN 0.092 nan 8.230 nan 0.000 0.502 103 A N -0.760 121.956 122.820 -0.173 0.000 2.887 103 A HA -0.224 4.096 4.320 0.001 0.000 0.257 103 A C 1.147 178.664 177.584 -0.112 0.000 1.372 103 A CA 0.982 52.932 52.037 -0.145 0.000 0.879 103 A CB -2.073 16.829 19.000 -0.163 0.000 1.082 103 A HN 0.205 nan 8.150 nan 0.000 0.703 104 L N -0.227 120.930 121.223 -0.109 0.000 2.592 104 L HA 0.186 4.527 4.340 0.001 0.000 0.227 104 L C 1.904 178.735 176.870 -0.064 0.000 1.127 104 L CA 1.743 56.518 54.840 -0.108 0.000 0.884 104 L CB -0.495 41.482 42.059 -0.137 0.000 1.065 104 L HN 0.644 nan 8.230 nan 0.000 0.457 105 E N -0.120 120.050 120.200 -0.050 0.000 2.031 105 E HA -0.218 4.133 4.350 0.001 0.000 0.193 105 E C 1.620 178.207 176.600 -0.023 0.000 0.994 105 E CA 1.308 57.691 56.400 -0.028 0.000 0.800 105 E CB 0.241 29.926 29.700 -0.025 0.000 0.752 105 E HN 0.482 nan 8.360 nan 0.000 0.447 106 N N 0.777 119.460 118.700 -0.029 0.000 2.069 106 N HA -0.207 4.533 4.740 0.001 0.000 0.191 106 N C 1.750 177.247 175.510 -0.022 0.000 1.031 106 N CA 1.431 54.465 53.050 -0.027 0.000 0.852 106 N CB -0.628 37.842 38.487 -0.029 0.000 1.018 106 N HN 0.223 nan 8.380 nan 0.000 0.423 107 A N 0.895 123.699 122.820 -0.027 0.000 1.902 107 A HA -0.143 4.178 4.320 0.001 0.000 0.217 107 A C 2.678 180.258 177.584 -0.008 0.000 1.181 107 A CA 1.419 53.443 52.037 -0.021 0.000 0.623 107 A CB -1.020 17.955 19.000 -0.041 0.000 0.818 107 A HN 0.459 nan 8.150 nan 0.000 0.443 108 C N -0.911 118.386 119.300 -0.006 0.000 2.435 108 C HA -0.047 4.413 4.460 0.001 0.000 0.279 108 C C 2.442 177.439 174.990 0.011 0.000 1.321 108 C CA 0.998 60.024 59.018 0.014 0.000 1.752 108 C CB -1.082 26.677 27.740 0.032 0.000 1.959 108 C HN 0.687 nan 8.230 nan 0.000 0.500 109 D N 0.772 121.176 120.400 0.006 0.000 2.097 109 D HA -0.132 4.508 4.640 0.001 0.000 0.195 109 D C 2.171 178.488 176.300 0.029 0.000 0.989 109 D CA 1.425 55.429 54.000 0.006 0.000 0.827 109 D CB -0.186 40.603 40.800 -0.018 0.000 0.966 109 D HN 0.341 nan 8.370 nan 0.000 0.456 110 E N -0.008 120.209 120.200 0.028 0.000 2.072 110 E HA 0.056 4.406 4.350 0.001 0.000 0.190 110 E C 1.887 178.526 176.600 0.066 0.000 0.982 110 E CA 1.169 57.614 56.400 0.075 0.000 0.803 110 E CB -0.543 29.184 29.700 0.044 0.000 0.755 110 E HN 0.234 nan 8.360 nan 0.000 0.453 111 A N -0.050 122.775 122.820 0.009 0.000 1.908 111 A HA -0.210 4.110 4.320 0.001 0.000 0.218 111 A C 2.436 179.941 177.584 -0.131 0.000 1.181 111 A CA 2.781 54.791 52.037 -0.045 0.000 0.627 111 A CB -1.254 17.727 19.000 -0.031 0.000 0.818 111 A HN 0.467 nan 8.150 nan 0.000 0.445 112 T N -4.072 110.408 114.554 -0.124 0.000 2.896 112 T HA -0.160 4.191 4.350 0.001 0.000 0.263 112 T C 1.851 176.474 174.700 -0.129 0.000 1.050 112 T CA 1.392 63.357 62.100 -0.224 0.000 1.140 112 T CB -0.556 68.222 68.868 -0.151 0.000 0.877 112 T HN 0.417 nan 8.240 nan 0.000 0.457 113 Y N 2.332 122.552 120.300 -0.132 0.000 2.097 113 Y HA -0.112 4.438 4.550 0.001 0.000 0.282 113 Y C 2.541 178.378 175.900 -0.106 0.000 1.152 113 Y CA 1.637 59.677 58.100 -0.100 0.000 1.136 113 Y CB -0.709 37.711 38.460 -0.067 0.000 0.975 113 Y HN 0.255 nan 8.280 nan 0.000 0.498 114 Q N -0.334 119.328 119.800 -0.230 0.000 2.437 114 Q HA -0.058 4.283 4.340 0.001 0.000 0.210 114 Q C 1.312 177.159 176.000 -0.255 0.000 0.972 114 Q CA 0.913 56.550 55.803 -0.276 0.000 0.903 114 Q CB -0.067 28.600 28.738 -0.118 0.000 0.967 114 Q HN 0.518 nan 8.270 nan 0.000 0.486 115 L N -1.298 119.760 121.223 -0.275 0.000 2.769 115 L HA 0.270 4.610 4.340 0.001 0.000 0.240 115 L C 0.904 177.600 176.870 -0.289 0.000 1.163 115 L CA 0.073 54.744 54.840 -0.281 0.000 0.962 115 L CB 0.481 42.303 42.059 -0.394 0.000 1.258 115 L HN 0.256 nan 8.230 nan 0.000 0.513 116 G N 0.696 109.321 108.800 -0.293 0.000 2.143 116 G HA2 -0.264 3.696 3.960 0.001 0.000 0.248 116 G HA3 -0.264 3.696 3.960 0.001 0.000 0.248 116 G C 0.065 174.847 174.900 -0.198 0.000 0.991 116 G CA 0.063 45.016 45.100 -0.245 0.000 0.689 116 G HN 0.245 nan 8.290 nan 0.000 0.522 117 L N -0.110 120.984 121.223 -0.214 0.000 2.352 117 L HA 0.666 5.006 4.340 0.001 0.000 0.269 117 L C -0.107 176.736 176.870 -0.045 0.000 1.034 117 L CA -0.997 53.740 54.840 -0.173 0.000 0.806 117 L CB 1.476 43.367 42.059 -0.280 0.000 1.244 117 L HN 0.151 nan 8.230 nan 0.000 0.447 118 D N 1.143 121.548 120.400 0.008 0.000 2.381 118 D HA 0.212 4.853 4.640 0.001 0.000 0.235 118 D C 0.503 176.839 176.300 0.059 0.000 1.068 118 D CA -0.400 53.629 54.000 0.049 0.000 0.832 118 D CB 1.538 42.370 40.800 0.054 0.000 1.101 118 D HN 0.473 nan 8.370 nan 0.000 0.515 119 M N 2.903 122.537 119.600 0.056 0.000 2.175 119 M HA -0.088 4.392 4.480 0.001 0.000 0.264 119 M C 1.349 177.698 176.300 0.081 0.000 1.063 119 M CA 1.346 56.691 55.300 0.075 0.000 1.119 119 M CB 0.181 32.816 32.600 0.059 0.000 1.377 119 M HN 0.475 nan 8.290 nan 0.000 0.415 120 E N -0.038 120.196 120.200 0.057 0.000 2.085 120 E HA -0.242 4.108 4.350 0.001 0.000 0.194 120 E C 1.908 178.546 176.600 0.063 0.000 0.994 120 E CA 1.143 57.573 56.400 0.050 0.000 0.801 120 E CB -0.186 29.536 29.700 0.037 0.000 0.743 120 E HN 0.494 nan 8.360 nan 0.000 0.453 121 E N 0.646 120.889 120.200 0.071 0.000 2.204 121 E HA -0.107 4.244 4.350 0.001 0.000 0.194 121 E C 2.167 178.829 176.600 0.103 0.000 0.989 121 E CA 0.455 56.902 56.400 0.078 0.000 0.824 121 E CB 0.025 29.773 29.700 0.079 0.000 0.756 121 E HN 0.289 nan 8.360 nan 0.000 0.477 122 L N 0.147 121.457 121.223 0.145 0.000 2.072 122 L HA -0.106 4.234 4.340 0.001 0.000 0.205 122 L C 2.327 179.312 176.870 0.191 0.000 1.079 122 L CA 0.872 55.852 54.840 0.233 0.000 0.752 122 L CB -0.404 41.840 42.059 0.309 0.000 0.906 122 L HN 0.057 nan 8.230 nan 0.000 0.436 123 E N 0.220 120.509 120.200 0.148 0.000 2.065 123 E HA -0.253 4.097 4.350 0.001 0.000 0.201 123 E C 1.965 178.548 176.600 -0.029 0.000 1.016 123 E CA 1.286 57.730 56.400 0.073 0.000 0.818 123 E CB -0.079 29.655 29.700 0.056 0.000 0.749 123 E HN 0.342 nan 8.360 nan 0.000 0.453 124 E N 0.353 120.554 120.200 0.002 0.000 2.396 124 E HA -0.165 4.185 4.350 0.001 0.000 0.200 124 E C 1.864 178.431 176.600 -0.054 0.000 1.023 124 E CA 0.476 56.871 56.400 -0.008 0.000 0.857 124 E CB 0.011 29.734 29.700 0.037 0.000 0.775 124 E HN 0.333 nan 8.360 nan 0.000 0.525 125 I N 0.637 121.131 120.570 -0.126 0.000 2.353 125 I HA -0.115 4.055 4.170 0.001 0.000 0.248 125 I C 1.301 177.212 176.117 -0.343 0.000 1.119 125 I CA 0.384 61.576 61.300 -0.179 0.000 1.417 125 I CB -0.721 37.196 38.000 -0.138 0.000 1.078 125 I HN 0.097 nan 8.210 nan 0.000 0.421 126 E N 2.695 122.524 120.200 -0.619 0.000 2.529 126 E HA -0.098 4.253 4.350 0.001 0.000 0.259 126 E C -0.064 176.453 176.600 -0.137 0.000 0.966 126 E CA -0.001 56.080 56.400 -0.532 0.000 0.937 126 E CB 0.600 30.070 29.700 -0.383 0.000 0.923 126 E HN 0.126 nan 8.360 nan 0.000 0.468 127 E N 3.390 123.596 120.200 0.009 0.000 2.354 127 E HA 0.061 4.411 4.350 0.001 0.000 0.269 127 E C -0.788 175.868 176.600 0.094 0.000 1.036 127 E CA -0.184 56.291 56.400 0.124 0.000 0.876 127 E CB 0.688 30.565 29.700 0.295 0.000 1.009 127 E HN 0.452 nan 8.360 nan 0.000 0.416 128 D N 0.628 121.043 120.400 0.026 0.000 2.382 128 D HA 0.210 4.851 4.640 0.001 0.000 0.245 128 D C -0.293 175.909 176.300 -0.163 0.000 1.120 128 D CA 0.031 53.989 54.000 -0.070 0.000 0.890 128 D CB 0.652 41.392 40.800 -0.100 0.000 1.201 128 D HN 0.394 nan 8.370 nan 0.000 0.433 129 A N 1.896 124.549 122.820 -0.279 0.000 2.451 129 A HA 0.463 4.784 4.320 0.001 0.000 0.266 129 A C 1.045 178.058 177.584 -0.951 0.000 1.119 129 A CA -0.263 51.310 52.037 -0.774 0.000 0.786 129 A CB 0.069 18.808 19.000 -0.435 0.000 1.061 129 A HN 0.575 nan 8.150 nan 0.000 0.503 130 G N 1.732 109.507 108.800 -1.709 0.000 3.008 130 G HA2 0.409 4.369 3.960 0.001 0.000 0.272 130 G HA3 0.409 4.369 3.960 0.001 0.000 0.272 130 G C 0.086 174.676 174.900 -0.517 0.000 0.764 130 G CA -0.038 44.488 45.100 -0.957 0.000 2.029 130 G HN 0.543 nan 8.290 nan 0.000 0.587 131 L N 0.555 121.618 121.223 -0.267 0.000 3.217 131 L HA 0.456 4.796 4.340 0.001 0.000 0.288 131 L C 1.078 177.998 176.870 0.083 0.000 1.202 131 L CA 0.280 55.164 54.840 0.073 0.000 1.027 131 L CB 0.410 42.476 42.059 0.012 0.000 1.427 131 L HN 0.459 nan 8.230 nan 0.000 0.600 132 G N -1.252 107.446 108.800 -0.171 0.000 2.619 132 G HA2 0.364 4.325 3.960 0.001 0.000 0.305 132 G HA3 0.364 4.325 3.960 0.001 0.000 0.305 132 G C -0.317 174.034 174.900 -0.915 0.000 1.330 132 G CA 0.309 45.162 45.100 -0.412 0.000 0.789 132 G HN -0.096 nan 8.290 nan 0.000 0.487 133 N N -3.044 114.969 118.700 -1.145 0.000 2.216 133 N HA 0.276 5.016 4.740 0.001 0.000 0.282 133 N C 0.779 175.918 175.510 -0.618 0.000 0.914 133 N CA 1.275 53.773 53.050 -0.920 0.000 0.805 133 N CB 0.522 38.746 38.487 -0.439 0.000 1.883 133 N HN 0.960 nan 8.380 nan 0.000 0.871 134 G N -1.399 107.216 108.800 -0.309 0.000 3.247 134 G HA2 0.418 4.379 3.960 0.001 0.000 0.199 134 G HA3 0.418 4.379 3.960 0.001 0.000 0.199 134 G C 0.534 175.482 174.900 0.080 0.000 1.172 134 G CA -0.040 45.054 45.100 -0.009 0.000 0.844 134 G HN 0.182 nan 8.290 nan 0.000 0.619 135 G N -0.333 108.501 108.800 0.058 0.000 2.471 135 G HA2 -0.062 3.898 3.960 0.001 0.000 0.219 135 G HA3 -0.062 3.898 3.960 0.001 0.000 0.219 135 G C 1.540 176.423 174.900 -0.029 0.000 1.125 135 G CA 0.688 45.807 45.100 0.033 0.000 0.775 135 G HN 0.334 nan 8.290 nan 0.000 0.548 136 L N 0.585 121.760 121.223 -0.080 0.000 2.141 136 L HA 0.042 4.382 4.340 0.001 0.000 0.209 136 L C 2.646 179.419 176.870 -0.161 0.000 1.094 136 L CA 1.712 56.438 54.840 -0.189 0.000 0.763 136 L CB -0.494 41.447 42.059 -0.196 0.000 0.908 136 L HN 0.317 nan 8.230 nan 0.000 0.437 137 G N -1.035 107.711 108.800 -0.090 0.000 2.426 137 G HA2 -0.183 3.777 3.960 0.001 0.000 0.214 137 G HA3 -0.183 3.777 3.960 0.001 0.000 0.214 137 G C 1.657 176.614 174.900 0.095 0.000 1.156 137 G CA -0.162 44.914 45.100 -0.041 0.000 0.802 137 G HN 0.113 nan 8.290 nan 0.000 0.534 138 R N 0.159 120.764 120.500 0.175 0.000 2.081 138 R HA 0.025 4.365 4.340 0.001 0.000 0.235 138 R C 2.498 178.804 176.300 0.010 0.000 1.131 138 R CA 1.005 57.187 56.100 0.137 0.000 0.960 138 R CB -1.008 29.372 30.300 0.133 0.000 0.856 138 R HN 0.408 nan 8.270 nan 0.000 0.436 139 L N 0.577 121.731 121.223 -0.114 0.000 1.989 139 L HA -0.113 4.227 4.340 0.001 0.000 0.211 139 L C 2.250 178.816 176.870 -0.506 0.000 1.071 139 L CA 2.383 57.000 54.840 -0.372 0.000 0.749 139 L CB -0.818 41.004 42.059 -0.395 0.000 0.890 139 L HN 0.189 nan 8.230 nan 0.000 0.431 140 A N -0.557 122.109 122.820 -0.256 0.000 1.908 140 A HA -0.157 4.164 4.320 0.001 0.000 0.218 140 A C 2.433 180.071 177.584 0.091 0.000 1.181 140 A CA 1.965 53.958 52.037 -0.074 0.000 0.627 140 A CB -1.219 17.751 19.000 -0.049 0.000 0.818 140 A HN 0.609 nan 8.150 nan 0.000 0.445 141 A N -1.256 121.647 122.820 0.139 0.000 1.898 141 A HA -0.144 4.176 4.320 0.001 0.000 0.216 141 A C 2.314 179.963 177.584 0.108 0.000 1.181 141 A CA 1.589 53.721 52.037 0.158 0.000 0.620 141 A CB -1.234 17.847 19.000 0.135 0.000 0.819 141 A HN 0.583 nan 8.150 nan 0.000 0.442 142 C N -1.381 117.987 119.300 0.114 0.000 2.432 142 C HA -0.074 4.386 4.460 0.001 0.000 0.277 142 C C 2.434 177.611 174.990 0.312 0.000 1.249 142 C CA 0.792 59.931 59.018 0.202 0.000 1.725 142 C CB -1.546 26.333 27.740 0.232 0.000 2.028 142 C HN 0.630 nan 8.230 nan 0.000 0.477 143 F N 0.902 120.834 119.950 -0.029 0.000 2.216 143 F HA -0.052 4.476 4.527 0.001 0.000 0.300 143 F C 2.249 177.970 175.800 -0.132 0.000 1.085 143 F CA 0.846 58.773 58.000 -0.122 0.000 1.326 143 F CB -1.428 37.372 39.000 -0.335 0.000 1.027 143 F HN 0.205 nan 8.300 nan 0.000 0.497 144 L N -0.401 120.876 121.223 0.090 0.000 2.046 144 L HA -0.225 4.116 4.340 0.001 0.000 0.208 144 L C 2.381 179.248 176.870 -0.005 0.000 1.077 144 L CA 1.914 56.759 54.840 0.009 0.000 0.747 144 L CB -0.749 41.308 42.059 -0.003 0.000 0.896 144 L HN 0.173 nan 8.230 nan 0.000 0.432 145 D N -0.154 120.256 120.400 0.016 0.000 2.117 145 D HA -0.144 4.496 4.640 0.001 0.000 0.198 145 D C 2.014 178.323 176.300 0.016 0.000 0.982 145 D CA 1.419 55.416 54.000 -0.004 0.000 0.828 145 D CB 0.408 41.202 40.800 -0.009 0.000 0.967 145 D HN 0.203 nan 8.370 nan 0.000 0.464 146 S N 0.007 115.733 115.700 0.044 0.000 2.406 146 S HA -0.040 4.431 4.470 0.001 0.000 0.228 146 S C 2.113 176.718 174.600 0.007 0.000 1.020 146 S CA 0.572 58.787 58.200 0.025 0.000 0.965 146 S CB -0.064 63.146 63.200 0.017 0.000 0.798 146 S HN 0.341 nan 8.310 nan 0.000 0.488 147 M N 1.091 120.689 119.600 -0.004 0.000 2.229 147 M HA -0.060 4.421 4.480 0.001 0.000 0.264 147 M C 2.430 178.729 176.300 -0.001 0.000 1.063 147 M CA 1.372 56.670 55.300 -0.005 0.000 1.114 147 M CB -0.490 32.084 32.600 -0.043 0.000 1.387 147 M HN 0.404 nan 8.290 nan 0.000 0.420 148 A N -0.183 122.632 122.820 -0.008 0.000 1.874 148 A HA -0.075 4.245 4.320 0.001 0.000 0.214 148 A C 2.141 179.739 177.584 0.022 0.000 1.189 148 A CA 1.688 53.727 52.037 0.003 0.000 0.615 148 A CB -1.030 17.949 19.000 -0.034 0.000 0.830 148 A HN 0.387 nan 8.150 nan 0.000 0.443 149 T N 0.499 115.068 114.554 0.025 0.000 2.897 149 T HA -0.045 4.305 4.350 0.001 0.000 0.271 149 T C 1.126 175.851 174.700 0.042 0.000 1.084 149 T CA 1.156 63.282 62.100 0.044 0.000 1.123 149 T CB -0.295 68.603 68.868 0.050 0.000 0.865 149 T HN 0.326 nan 8.240 nan 0.000 0.496 150 L N 0.262 121.507 121.223 0.038 0.000 2.872 150 L HA 0.352 4.692 4.340 0.001 0.000 0.245 150 L C 1.567 178.471 176.870 0.056 0.000 1.211 150 L CA -0.192 54.673 54.840 0.042 0.000 1.013 150 L CB -0.202 41.879 42.059 0.037 0.000 1.326 150 L HN 0.362 nan 8.230 nan 0.000 0.525 151 G N 1.018 109.858 108.800 0.067 0.000 2.225 151 G HA2 -0.286 3.675 3.960 0.001 0.000 0.267 151 G HA3 -0.286 3.675 3.960 0.001 0.000 0.267 151 G C 0.220 175.176 174.900 0.094 0.000 1.024 151 G CA 0.174 45.338 45.100 0.107 0.000 0.784 151 G HN 0.306 nan 8.290 nan 0.000 0.507 152 L N -0.409 120.831 121.223 0.028 0.000 2.439 152 L HA 0.592 4.932 4.340 0.001 0.000 0.261 152 L C 1.309 178.032 176.870 -0.246 0.000 1.153 152 L CA -0.283 54.514 54.840 -0.071 0.000 0.808 152 L CB 1.251 43.292 42.059 -0.030 0.000 1.126 152 L HN 0.224 nan 8.230 nan 0.000 0.460 153 A N 2.189 124.684 122.820 -0.542 0.000 3.037 153 A HA 0.553 4.874 4.320 0.001 0.000 0.272 153 A C 0.311 177.561 177.584 -0.557 0.000 1.723 153 A CA -0.212 51.264 52.037 -0.936 0.000 1.413 153 A CB -0.762 17.576 19.000 -1.103 0.000 1.112 153 A HN 0.684 nan 8.150 nan 0.000 0.606 154 A N 1.067 123.589 122.820 -0.497 0.000 2.312 154 A HA 0.819 5.139 4.320 0.001 0.000 0.328 154 A C -0.985 176.240 177.584 -0.598 0.000 1.158 154 A CA -0.373 51.407 52.037 -0.429 0.000 0.821 154 A CB 0.641 19.481 19.000 -0.267 0.000 1.170 154 A HN 0.587 nan 8.150 nan 0.000 0.490 155 Y N -0.326 119.904 120.300 -0.117 0.000 2.492 155 Y HA 0.559 5.109 4.550 0.000 0.000 0.346 155 Y C 0.635 176.617 175.900 0.136 0.000 0.997 155 Y CA -0.693 57.408 58.100 0.001 0.000 1.025 155 Y CB 2.335 40.874 38.460 0.132 0.000 1.263 155 Y HN 0.834 nan 8.280 nan 0.000 0.454 156 G N 1.804 110.681 108.800 0.127 0.000 2.335 156 G HA2 0.489 4.450 3.960 0.001 0.000 0.314 156 G HA3 0.489 4.450 3.960 0.001 0.000 0.314 156 G C -1.801 173.082 174.900 -0.028 0.000 1.129 156 G CA -0.327 44.848 45.100 0.125 0.000 0.912 156 G HN 0.475 nan 8.290 nan 0.000 0.443 157 Y N 1.244 121.791 120.300 0.411 0.000 2.352 157 Y HA 0.670 5.220 4.550 0.001 0.000 0.339 157 Y C 0.818 177.066 175.900 0.580 0.000 0.992 157 Y CA 0.248 58.577 58.100 0.382 0.000 1.100 157 Y CB 2.695 41.396 38.460 0.403 0.000 1.192 157 Y HN 0.847 nan 8.280 nan 0.000 0.458 158 G N 2.252 111.422 108.800 0.617 0.000 2.634 158 G HA2 0.573 4.533 3.960 0.001 0.000 0.309 158 G HA3 0.573 4.533 3.960 0.001 0.000 0.309 158 G C -1.912 173.232 174.900 0.406 0.000 1.299 158 G CA -0.783 44.684 45.100 0.612 0.000 0.798 158 G HN 0.466 nan 8.290 nan 0.000 0.490 159 I N 0.194 120.888 120.570 0.206 0.000 2.603 159 I HA 0.501 4.672 4.170 0.001 0.000 0.300 159 I C 0.129 176.079 176.117 -0.277 0.000 1.017 159 I CA -0.874 60.435 61.300 0.016 0.000 1.098 159 I CB 2.324 40.220 38.000 -0.174 0.000 1.279 159 I HN 0.364 nan 8.210 nan 0.000 0.437 160 R N 5.186 125.596 120.500 -0.151 0.000 2.280 160 R HA 0.286 4.627 4.340 0.001 0.000 0.326 160 R C -1.572 174.650 176.300 -0.130 0.000 1.080 160 R CA -0.538 55.498 56.100 -0.106 0.000 1.002 160 R CB 0.266 30.511 30.300 -0.092 0.000 1.136 160 R HN 0.394 nan 8.270 nan 0.000 0.509 161 Y N 2.571 122.982 120.300 0.185 0.000 2.537 161 Y HA -0.011 4.540 4.550 0.001 0.000 0.339 161 Y C 1.389 177.405 175.900 0.194 0.000 1.066 161 Y CA -0.029 58.159 58.100 0.147 0.000 1.357 161 Y CB 0.895 39.429 38.460 0.123 0.000 1.175 161 Y HN 0.617 nan 8.280 nan 0.000 0.525 162 E N 2.030 122.265 120.200 0.057 0.000 2.110 162 E HA -0.160 4.190 4.350 0.001 0.000 0.193 162 E C 0.192 176.497 176.600 -0.492 0.000 0.988 162 E CA 1.309 57.458 56.400 -0.418 0.000 0.804 162 E CB 0.010 29.158 29.700 -0.920 0.000 0.745 162 E HN 0.614 nan 8.360 nan 0.000 0.458 163 F N -0.780 119.366 119.950 0.327 0.000 2.764 163 F HA 0.330 4.858 4.527 0.001 0.000 0.310 163 F C 1.092 177.026 175.800 0.224 0.000 1.124 163 F CA 0.158 58.328 58.000 0.283 0.000 1.252 163 F CB 0.705 39.798 39.000 0.155 0.000 1.010 163 F HN 0.022 nan 8.300 nan 0.000 0.518 164 G N 1.484 110.469 108.800 0.309 0.000 2.583 164 G HA2 -0.307 3.653 3.960 0.001 0.000 0.292 164 G HA3 -0.307 3.653 3.960 0.001 0.000 0.292 164 G C -0.436 174.420 174.900 -0.075 0.000 1.203 164 G CA -0.001 45.122 45.100 0.039 0.000 0.987 164 G HN 0.213 nan 8.290 nan 0.000 0.554 165 I N 1.674 122.173 120.570 -0.119 0.000 2.499 165 I HA 0.478 4.649 4.170 0.001 0.000 0.288 165 I C 1.053 177.121 176.117 -0.082 0.000 1.048 165 I CA -0.785 60.452 61.300 -0.106 0.000 1.062 165 I CB 1.034 38.870 38.000 -0.273 0.000 1.238 165 I HN 0.816 nan 8.210 nan 0.000 0.426 166 F N 6.484 126.454 119.950 0.033 0.000 2.178 166 F HA -0.213 4.315 4.527 0.001 0.000 0.221 166 F C -0.344 175.502 175.800 0.077 0.000 0.718 166 F CA 0.373 58.412 58.000 0.066 0.000 0.944 166 F CB -0.491 38.546 39.000 0.061 0.000 0.834 166 F HN 0.508 nan 8.300 nan 0.000 0.654 167 N N 0.715 119.602 118.700 0.311 0.000 2.399 167 N HA 0.189 4.929 4.740 0.001 0.000 0.295 167 N C -1.301 174.440 175.510 0.386 0.000 1.048 167 N CA -0.930 52.255 53.050 0.225 0.000 0.886 167 N CB 1.223 39.824 38.487 0.191 0.000 1.185 167 N HN 0.680 nan 8.380 nan 0.000 0.487 168 Q N 2.459 122.454 119.800 0.325 0.000 2.256 168 Q HA 0.207 4.548 4.340 0.001 0.000 0.254 168 Q C -1.159 174.976 176.000 0.224 0.000 0.916 168 Q CA -0.315 55.706 55.803 0.363 0.000 0.932 168 Q CB 0.942 29.910 28.738 0.383 0.000 1.207 168 Q HN 0.430 nan 8.270 nan 0.000 0.426 169 K N 4.561 125.070 120.400 0.181 0.000 2.270 169 K HA 0.375 4.695 4.320 0.001 0.000 0.255 169 K C -0.889 175.777 176.600 0.111 0.000 0.936 169 K CA -0.780 55.582 56.287 0.125 0.000 0.809 169 K CB 1.060 33.624 32.500 0.107 0.000 1.131 169 K HN 0.567 nan 8.250 nan 0.000 0.427 170 I N 4.293 124.914 120.570 0.085 0.000 2.312 170 I HA 0.161 4.331 4.170 0.001 0.000 0.291 170 I C -0.504 175.652 176.117 0.064 0.000 1.031 170 I CA -0.547 60.787 61.300 0.057 0.000 1.293 170 I CB 0.545 38.566 38.000 0.035 0.000 1.403 170 I HN 0.628 nan 8.210 nan 0.000 0.484 171 C N 4.505 123.864 119.300 0.099 0.000 2.301 171 C HA 0.530 4.990 4.460 0.001 0.000 0.323 171 C C 1.196 176.282 174.990 0.159 0.000 1.265 171 C CA -0.558 58.523 59.018 0.105 0.000 1.503 171 C CB 0.374 28.170 27.740 0.093 0.000 2.195 171 C HN 1.066 nan 8.230 nan 0.000 0.477 172 G N 2.728 111.593 108.800 0.108 0.000 2.341 172 G HA2 0.116 4.076 3.960 0.001 0.000 0.292 172 G HA3 0.116 4.076 3.960 0.001 0.000 0.292 172 G C 1.101 176.042 174.900 0.068 0.000 1.021 172 G CA 0.992 46.160 45.100 0.114 0.000 0.905 172 G HN 2.324 nan 8.290 nan 0.000 0.508 173 G N -3.160 105.620 108.800 -0.035 0.000 2.195 173 G HA2 -0.267 3.694 3.960 0.001 0.000 0.246 173 G HA3 -0.267 3.694 3.960 0.001 0.000 0.246 173 G C 0.306 174.979 174.900 -0.378 0.000 0.984 173 G CA 0.594 45.543 45.100 -0.253 0.000 0.633 173 G HN 1.183 nan 8.290 nan 0.000 0.525 174 W N 0.619 121.868 121.300 -0.087 0.000 2.647 174 W HA 0.699 5.359 4.660 0.000 0.000 0.353 174 W C 0.521 176.985 176.519 -0.092 0.000 1.080 174 W CA -0.982 56.306 57.345 -0.095 0.000 1.208 174 W CB 0.835 30.261 29.460 -0.058 0.000 1.396 174 W HN 0.202 nan 8.180 nan 0.000 0.573 175 Q N 2.688 122.587 119.800 0.164 0.000 2.311 175 Q HA 0.213 4.554 4.340 0.001 0.000 0.272 175 Q C -0.634 175.423 176.000 0.094 0.000 1.012 175 Q CA 0.358 56.225 55.803 0.108 0.000 0.891 175 Q CB 0.514 29.312 28.738 0.100 0.000 1.201 175 Q HN 0.322 nan 8.270 nan 0.000 0.391 176 M N 4.057 123.702 119.600 0.074 0.000 2.321 176 M HA 0.246 4.726 4.480 0.001 0.000 0.315 176 M C -0.907 175.399 176.300 0.010 0.000 1.052 176 M CA -0.598 54.716 55.300 0.023 0.000 0.936 176 M CB 1.892 34.519 32.600 0.044 0.000 1.639 176 M HN 0.661 nan 8.290 nan 0.000 0.433 177 E N 2.627 122.763 120.200 -0.107 0.000 2.101 177 E HA 0.411 4.762 4.350 0.001 0.000 0.260 177 E C -0.937 175.671 176.600 0.012 0.000 0.897 177 E CA -0.328 55.986 56.400 -0.144 0.000 0.744 177 E CB 1.015 30.188 29.700 -0.877 0.000 1.140 177 E HN 0.591 nan 8.360 nan 0.000 0.419 178 E N 1.523 121.809 120.200 0.142 0.000 2.374 178 E HA 0.405 4.755 4.350 0.001 0.000 0.260 178 E C -0.215 176.494 176.600 0.181 0.000 1.101 178 E CA -0.564 55.916 56.400 0.134 0.000 0.907 178 E CB 0.960 30.746 29.700 0.143 0.000 1.014 178 E HN 0.664 nan 8.360 nan 0.000 0.427 179 A N 1.693 124.591 122.820 0.131 0.000 2.388 179 A HA 0.081 4.401 4.320 0.001 0.000 0.257 179 A C -0.312 177.408 177.584 0.227 0.000 1.095 179 A CA -0.367 51.762 52.037 0.154 0.000 0.791 179 A CB 0.384 19.406 19.000 0.038 0.000 1.029 179 A HN 0.569 nan 8.150 nan 0.000 0.489 180 D N 2.051 122.632 120.400 0.302 0.000 2.499 180 D HA 0.223 4.863 4.640 0.001 0.000 0.225 180 D C -1.025 175.553 176.300 0.463 0.000 1.124 180 D CA -0.431 53.764 54.000 0.325 0.000 0.938 180 D CB 0.365 41.316 40.800 0.252 0.000 1.014 180 D HN 0.456 nan 8.370 nan 0.000 0.517 181 D N 3.817 124.463 120.400 0.411 0.000 2.485 181 D HA 0.000 4.640 4.640 0.001 0.000 0.229 181 D C 1.456 177.914 176.300 0.264 0.000 1.101 181 D CA -0.883 53.346 54.000 0.381 0.000 0.906 181 D CB -0.042 40.980 40.800 0.370 0.000 1.019 181 D HN 0.534 nan 8.370 nan 0.000 0.516 182 W N 2.433 123.797 121.300 0.106 0.000 2.392 182 W HA -0.071 4.589 4.660 0.001 0.000 0.279 182 W C 0.324 176.894 176.519 0.084 0.000 1.225 182 W CA -0.013 57.392 57.345 0.101 0.000 1.233 182 W CB -0.758 28.754 29.460 0.087 0.000 1.122 182 W HN 0.200 nan 8.180 nan 0.000 0.561 183 L N 1.232 122.048 121.223 -0.678 0.000 2.627 183 L HA 0.101 4.442 4.340 0.001 0.000 0.233 183 L C 2.802 179.490 176.870 -0.303 0.000 1.144 183 L CA 0.132 54.571 54.840 -0.668 0.000 0.892 183 L CB -0.719 40.787 42.059 -0.923 0.000 1.039 183 L HN -0.045 nan 8.230 nan 0.000 0.442 184 R N 0.255 120.624 120.500 -0.218 0.000 2.119 184 R HA -0.227 4.113 4.340 0.001 0.000 0.246 184 R C 1.211 177.170 176.300 -0.568 0.000 1.146 184 R CA 1.997 57.857 56.100 -0.400 0.000 0.962 184 R CB -0.092 29.896 30.300 -0.519 0.000 0.863 184 R HN 0.320 nan 8.270 nan 0.000 0.442 185 Y N -0.859 119.478 120.300 0.061 0.000 2.485 185 Y HA 0.336 4.886 4.550 0.001 0.000 0.260 185 Y C 0.882 176.852 175.900 0.117 0.000 1.173 185 Y CA 0.421 58.558 58.100 0.061 0.000 1.252 185 Y CB 0.921 39.445 38.460 0.108 0.000 1.123 185 Y HN 0.363 nan 8.280 nan 0.000 0.524 186 G N 1.221 110.119 108.800 0.165 0.000 2.592 186 G HA2 -0.163 3.797 3.960 0.001 0.000 0.684 186 G HA3 -0.163 3.797 3.960 0.001 0.000 0.684 186 G C -1.363 173.638 174.900 0.168 0.000 1.291 186 G CA -0.754 44.438 45.100 0.154 0.000 0.891 186 G HN 0.302 nan 8.290 nan 0.000 0.544 187 N N 0.612 119.353 118.700 0.069 0.000 2.504 187 N HA 0.586 5.326 4.740 0.001 0.000 0.280 187 N C -0.807 174.655 175.510 -0.080 0.000 1.052 187 N CA -1.575 51.477 53.050 0.004 0.000 0.887 187 N CB 2.338 40.794 38.487 -0.053 0.000 1.323 187 N HN 0.307 nan 8.380 nan 0.000 0.509 188 P HA 0.004 nan 4.420 nan 0.000 0.234 188 P C 0.182 177.003 177.300 -0.798 0.000 1.167 188 P CA 0.724 63.378 63.100 -0.742 0.000 0.763 188 P CB 0.052 30.962 31.700 -1.316 0.000 0.835 189 W N 1.424 122.644 121.300 -0.134 0.000 2.872 189 W HA 0.127 4.787 4.660 0.001 0.000 0.266 189 W C 1.312 177.812 176.519 -0.031 0.000 1.276 189 W CA -0.453 56.830 57.345 -0.104 0.000 1.471 189 W CB 0.139 29.550 29.460 -0.081 0.000 1.071 189 W HN -0.016 nan 8.180 nan 0.000 0.619 190 E N 1.326 121.649 120.200 0.206 0.000 2.280 190 E HA 0.381 4.731 4.350 0.001 0.000 0.261 190 E C -0.313 176.421 176.600 0.222 0.000 1.088 190 E CA -0.668 55.869 56.400 0.228 0.000 0.915 190 E CB 1.226 31.084 29.700 0.263 0.000 1.141 190 E HN -0.366 nan 8.360 nan 0.000 0.433 191 K N 0.695 121.243 120.400 0.246 0.000 2.578 191 K HA 0.379 4.700 4.320 0.001 0.000 0.250 191 K C -1.402 175.209 176.600 0.018 0.000 0.955 191 K CA -0.654 55.729 56.287 0.160 0.000 0.825 191 K CB 1.806 34.427 32.500 0.201 0.000 1.151 191 K HN 0.692 nan 8.250 nan 0.000 0.432 192 A N 4.238 126.971 122.820 -0.144 0.000 2.450 192 A HA 0.357 4.677 4.320 0.001 0.000 0.255 192 A C 0.077 177.461 177.584 -0.333 0.000 1.096 192 A CA -0.122 51.555 52.037 -0.601 0.000 0.778 192 A CB 0.260 18.982 19.000 -0.463 0.000 1.031 192 A HN 0.548 nan 8.150 nan 0.000 0.494 193 R N 3.040 123.345 120.500 -0.325 0.000 3.057 193 R HA 0.206 4.546 4.340 0.001 0.000 0.291 193 R C -2.398 173.814 176.300 -0.145 0.000 1.394 193 R CA -1.692 54.339 56.100 -0.114 0.000 1.630 193 R CB 0.310 30.713 30.300 0.171 0.000 1.268 193 R HN 0.470 nan 8.270 nan 0.000 0.621 194 P HA -0.215 nan 4.420 nan 0.000 0.218 194 P C 0.558 177.762 177.300 -0.161 0.000 1.152 194 P CA 1.380 64.401 63.100 -0.132 0.000 0.857 194 P CB 0.424 32.052 31.700 -0.120 0.000 0.787 195 E N -1.539 118.459 120.200 -0.335 0.000 2.219 195 E HA -0.159 4.191 4.350 0.001 0.000 0.198 195 E C 0.666 176.969 176.600 -0.495 0.000 0.998 195 E CA 1.094 57.177 56.400 -0.527 0.000 0.818 195 E CB -0.933 28.167 29.700 -0.999 0.000 0.741 195 E HN 0.397 nan 8.360 nan 0.000 0.477 196 F N 0.401 120.364 119.950 0.022 0.000 2.850 196 F HA 0.267 4.794 4.527 0.001 0.000 0.306 196 F C 0.142 176.029 175.800 0.145 0.000 1.162 196 F CA -0.617 57.429 58.000 0.076 0.000 1.327 196 F CB -0.091 38.954 39.000 0.074 0.000 0.953 196 F HN -0.321 nan 8.300 nan 0.000 0.507 197 T N 2.972 117.649 114.554 0.204 0.000 2.916 197 T HA 0.435 4.785 4.350 0.001 0.000 0.303 197 T C 0.038 174.848 174.700 0.185 0.000 1.025 197 T CA 0.340 62.568 62.100 0.214 0.000 1.142 197 T CB 0.632 69.576 68.868 0.126 0.000 0.947 197 T HN 0.069 nan 8.240 nan 0.000 0.544 198 L N 5.293 126.607 121.223 0.152 0.000 2.381 198 L HA 0.480 4.821 4.340 0.001 0.000 0.268 198 L C -2.222 174.637 176.870 -0.019 0.000 0.997 198 L CA -2.557 52.304 54.840 0.035 0.000 0.818 198 L CB 2.558 44.566 42.059 -0.084 0.000 1.310 198 L HN 0.404 nan 8.230 nan 0.000 0.416 199 P HA 0.162 nan 4.420 nan 0.000 0.282 199 P C -0.904 176.250 177.300 -0.244 0.000 1.274 199 P CA -0.193 62.832 63.100 -0.125 0.000 0.770 199 P CB 1.480 33.117 31.700 -0.106 0.000 0.867 200 V N 5.409 125.165 119.914 -0.262 0.000 2.427 200 V HA 0.297 4.417 4.120 0.001 0.000 0.286 200 V C 0.669 176.446 176.094 -0.527 0.000 1.034 200 V CA -0.586 61.516 62.300 -0.331 0.000 0.893 200 V CB 0.881 32.578 31.823 -0.210 0.000 0.982 200 V HN 0.601 nan 8.190 nan 0.000 0.452 201 H N 3.485 122.390 119.070 -0.274 0.000 2.502 201 H HA 0.652 5.208 4.556 0.001 0.000 0.338 201 H C -1.264 173.785 175.328 -0.466 0.000 1.155 201 H CA -0.225 55.587 56.048 -0.392 0.000 1.237 201 H CB 1.928 31.196 29.762 -0.824 0.000 1.534 201 H HN 0.476 nan 8.280 nan 0.000 0.523 202 F N -0.413 119.610 119.950 0.123 0.000 2.631 202 F HA 0.209 4.736 4.527 0.001 0.000 0.308 202 F C -0.280 175.712 175.800 0.320 0.000 1.097 202 F CA -0.628 57.476 58.000 0.172 0.000 0.952 202 F CB 0.821 39.829 39.000 0.013 0.000 1.307 202 F HN 0.578 nan 8.300 nan 0.000 0.450 203 Y N 0.217 120.830 120.300 0.521 0.000 2.896 203 Y HA 0.016 4.566 4.550 0.000 0.000 0.466 203 Y C 1.408 177.576 175.900 0.447 0.000 1.197 203 Y CA 0.834 59.150 58.100 0.360 0.000 2.513 203 Y CB -1.847 36.745 38.460 0.220 0.000 1.232 203 Y HN 1.383 nan 8.280 nan 0.000 0.632 204 G N 0.664 109.747 108.800 0.472 0.000 2.593 204 G HA2 0.118 4.078 3.960 0.001 0.000 0.237 204 G HA3 0.118 4.078 3.960 0.001 0.000 0.237 204 G C -0.643 174.482 174.900 0.376 0.000 1.312 204 G CA 0.794 46.106 45.100 0.354 0.000 0.896 204 G HN 1.349 nan 8.290 nan 0.000 0.574 205 R N -2.502 118.223 120.500 0.375 0.000 2.716 205 R HA 0.726 5.067 4.340 0.001 0.000 0.271 205 R C -1.384 175.089 176.300 0.288 0.000 1.028 205 R CA -1.009 55.248 56.100 0.262 0.000 0.883 205 R CB 1.386 31.783 30.300 0.162 0.000 1.250 205 R HN 0.941 nan 8.270 nan 0.000 0.465 206 V N 0.441 120.445 119.914 0.149 0.000 2.581 206 V HA 0.482 4.603 4.120 0.001 0.000 0.303 206 V C -0.405 175.728 176.094 0.065 0.000 1.041 206 V CA -0.637 61.703 62.300 0.067 0.000 0.907 206 V CB 1.567 33.356 31.823 -0.056 0.000 0.994 206 V HN 0.806 nan 8.190 nan 0.000 0.442 207 E N 2.211 122.424 120.200 0.021 0.000 2.256 207 E HA 0.416 4.767 4.350 0.001 0.000 0.268 207 E C -1.306 175.297 176.600 0.005 0.000 0.877 207 E CA -0.689 55.745 56.400 0.057 0.000 0.757 207 E CB 1.284 31.016 29.700 0.053 0.000 1.183 207 E HN 0.799 nan 8.360 nan 0.000 0.418 208 H N 2.591 121.676 119.070 0.025 0.000 2.467 208 H HA 0.217 4.773 4.556 0.001 0.000 0.326 208 H C 0.405 175.744 175.328 0.018 0.000 1.094 208 H CA -0.099 55.960 56.048 0.019 0.000 1.253 208 H CB 1.925 31.694 29.762 0.012 0.000 1.439 208 H HN 0.700 nan 8.280 nan 0.000 0.479 209 T N -0.762 113.854 114.554 0.103 0.000 1.744 209 T HA 0.069 4.419 4.350 0.001 0.000 0.186 209 T C 1.754 176.491 174.700 0.062 0.000 0.723 209 T CA 0.419 62.559 62.100 0.067 0.000 1.264 209 T CB -0.375 68.516 68.868 0.039 0.000 3.334 209 T HN 0.487 nan 8.240 nan 0.000 0.421 210 S N 0.837 116.563 115.700 0.044 0.000 2.317 210 S HA -0.037 4.434 4.470 0.001 0.000 0.212 210 S C 2.273 176.899 174.600 0.044 0.000 1.030 210 S CA 1.066 59.289 58.200 0.039 0.000 0.970 210 S CB -1.043 62.175 63.200 0.030 0.000 0.928 210 S HN 0.555 nan 8.310 nan 0.000 0.451 211 Q N 2.064 121.888 119.800 0.039 0.000 2.049 211 Q HA 0.365 4.705 4.340 0.001 0.000 0.198 211 Q C 0.948 176.980 176.000 0.052 0.000 0.971 211 Q CA 1.426 57.253 55.803 0.041 0.000 0.833 211 Q CB -0.445 28.311 28.738 0.031 0.000 0.896 211 Q HN 0.787 nan 8.270 nan 0.000 0.434 212 G N -1.688 107.138 108.800 0.044 0.000 2.441 212 G HA2 0.446 4.406 3.960 0.001 0.000 0.225 212 G HA3 0.446 4.406 3.960 0.001 0.000 0.225 212 G C -1.497 173.378 174.900 -0.041 0.000 1.200 212 G CA -0.444 44.681 45.100 0.042 0.000 0.947 212 G HN 0.345 nan 8.290 nan 0.000 0.484 213 A N 0.231 122.957 122.820 -0.157 0.000 2.511 213 A HA 0.574 4.895 4.320 0.001 0.000 0.242 213 A C 0.124 177.644 177.584 -0.106 0.000 1.069 213 A CA 0.464 52.344 52.037 -0.262 0.000 0.763 213 A CB 0.166 18.960 19.000 -0.343 0.000 1.001 213 A HN 0.396 nan 8.150 nan 0.000 0.498 214 K N 1.758 122.115 120.400 -0.071 0.000 2.323 214 K HA 0.180 4.500 4.320 0.001 0.000 0.259 214 K C -1.555 175.093 176.600 0.079 0.000 0.947 214 K CA -0.257 56.031 56.287 0.001 0.000 0.819 214 K CB 1.908 34.409 32.500 0.003 0.000 1.109 214 K HN 0.786 nan 8.250 nan 0.000 0.429 215 W N 5.841 127.065 121.300 -0.127 0.000 2.288 215 W HA 0.283 4.943 4.660 0.001 0.000 0.325 215 W C -0.483 175.978 176.519 -0.096 0.000 1.019 215 W CA -1.105 56.172 57.345 -0.113 0.000 1.403 215 W CB -0.013 29.363 29.460 -0.139 0.000 1.226 215 W HN 0.244 nan 8.180 nan 0.000 0.391 216 V N 2.925 122.891 119.914 0.087 0.000 2.966 216 V HA 0.534 4.654 4.120 0.001 0.000 0.317 216 V C 0.097 176.181 176.094 -0.016 0.000 1.070 216 V CA -0.867 61.423 62.300 -0.017 0.000 1.008 216 V CB 1.502 33.342 31.823 0.028 0.000 1.070 216 V HN 0.506 nan 8.190 nan 0.000 0.457 217 D N 0.821 121.201 120.400 -0.034 0.000 2.886 217 D HA -0.150 4.491 4.640 0.001 0.000 0.221 217 D C 0.502 176.800 176.300 -0.003 0.000 1.227 217 D CA 1.417 55.412 54.000 -0.008 0.000 0.746 217 D CB -1.446 39.371 40.800 0.029 0.000 0.935 217 D HN 1.196 nan 8.370 nan 0.000 0.399 218 T N -2.708 111.803 114.554 -0.071 0.000 2.934 218 T HA 0.456 4.807 4.350 0.001 0.000 0.283 218 T C 0.265 175.008 174.700 0.072 0.000 1.005 218 T CA -0.951 61.130 62.100 -0.031 0.000 1.041 218 T CB 2.811 71.505 68.868 -0.290 0.000 1.042 218 T HN 0.249 nan 8.240 nan 0.000 0.505 219 Q N 0.490 120.395 119.800 0.175 0.000 2.260 219 Q HA 0.563 4.903 4.340 0.001 0.000 0.242 219 Q C -1.338 174.734 176.000 0.120 0.000 0.932 219 Q CA -0.763 55.133 55.803 0.153 0.000 0.891 219 Q CB 1.049 29.943 28.738 0.260 0.000 1.222 219 Q HN 0.611 nan 8.270 nan 0.000 0.453 220 V N 3.238 123.187 119.914 0.059 0.000 2.628 220 V HA 0.558 4.678 4.120 0.001 0.000 0.306 220 V C -0.693 175.467 176.094 0.110 0.000 1.045 220 V CA -0.625 61.646 62.300 -0.049 0.000 0.905 220 V CB 2.045 33.820 31.823 -0.081 0.000 0.997 220 V HN 0.641 nan 8.190 nan 0.000 0.436 221 V N 5.036 125.026 119.914 0.128 0.000 2.876 221 V HA 0.550 4.671 4.120 0.001 0.000 0.312 221 V C -0.567 175.639 176.094 0.186 0.000 1.085 221 V CA -0.653 61.782 62.300 0.225 0.000 0.945 221 V CB 2.163 34.205 31.823 0.366 0.000 1.017 221 V HN 0.637 nan 8.190 nan 0.000 0.428 222 L N 2.789 124.140 121.223 0.214 0.000 2.334 222 L HA 0.891 5.232 4.340 0.001 0.000 0.275 222 L C 0.123 177.213 176.870 0.366 0.000 1.036 222 L CA -0.626 54.338 54.840 0.207 0.000 0.807 222 L CB 1.749 43.907 42.059 0.166 0.000 1.231 222 L HN 0.746 nan 8.230 nan 0.000 0.438 223 A N 3.937 126.952 122.820 0.326 0.000 2.311 223 A HA 0.682 5.002 4.320 0.001 0.000 0.306 223 A C -0.722 177.178 177.584 0.526 0.000 1.189 223 A CA -0.433 51.881 52.037 0.462 0.000 0.791 223 A CB 1.249 20.214 19.000 -0.058 0.000 1.172 223 A HN 0.782 nan 8.150 nan 0.000 0.481 224 M N 5.955 125.876 119.600 0.533 0.000 2.205 224 M HA 0.489 4.970 4.480 0.001 0.000 0.344 224 M C -2.614 173.874 176.300 0.314 0.000 1.085 224 M CA -2.120 53.398 55.300 0.364 0.000 1.001 224 M CB 2.330 35.075 32.600 0.242 0.000 1.626 224 M HN 0.401 nan 8.290 nan 0.000 0.442 225 P HA 0.245 nan 4.420 nan 0.000 0.286 225 P C -1.949 175.236 177.300 -0.192 0.000 1.261 225 P CA -0.116 62.822 63.100 -0.270 0.000 0.821 225 P CB 0.679 31.994 31.700 -0.642 0.000 1.013 226 Y N 0.466 120.669 120.300 -0.162 0.000 2.331 226 Y HA 0.285 4.836 4.550 0.001 0.000 0.334 226 Y C 0.299 176.160 175.900 -0.066 0.000 0.960 226 Y CA -0.408 57.660 58.100 -0.053 0.000 1.130 226 Y CB 1.253 39.704 38.460 -0.015 0.000 1.164 226 Y HN 0.209 nan 8.280 nan 0.000 0.458 227 D N 2.364 122.854 120.400 0.150 0.000 2.249 227 D HA 0.321 4.961 4.640 0.001 0.000 0.246 227 D C -0.514 175.959 176.300 0.289 0.000 1.114 227 D CA -0.044 54.094 54.000 0.230 0.000 0.854 227 D CB 1.540 42.546 40.800 0.345 0.000 1.132 227 D HN 0.391 nan 8.370 nan 0.000 0.461 228 T N 3.257 117.884 114.554 0.121 0.000 2.812 228 T HA 0.464 4.814 4.350 0.001 0.000 0.282 228 T C -2.556 171.943 174.700 -0.336 0.000 0.990 228 T CA -1.574 60.500 62.100 -0.044 0.000 0.960 228 T CB 1.947 70.791 68.868 -0.040 0.000 0.948 228 T HN 0.056 nan 8.240 nan 0.000 0.438 229 P HA 0.324 nan 4.420 nan 0.000 0.276 229 P C -0.845 176.110 177.300 -0.577 0.000 1.230 229 P CA -0.591 61.852 63.100 -1.095 0.000 0.776 229 P CB 0.639 31.595 31.700 -1.241 0.000 0.888 230 V N 2.289 121.931 119.914 -0.453 0.000 2.407 230 V HA 0.669 4.789 4.120 0.001 0.000 0.291 230 V C -2.739 173.206 176.094 -0.248 0.000 1.018 230 V CA -2.843 59.275 62.300 -0.304 0.000 0.842 230 V CB 1.977 33.667 31.823 -0.223 0.000 0.996 230 V HN 0.383 nan 8.190 nan 0.000 0.426 231 P HA 0.369 nan 4.420 nan 0.000 0.285 231 P C 0.355 177.600 177.300 -0.092 0.000 1.259 231 P CA 0.353 63.359 63.100 -0.157 0.000 0.794 231 P CB 1.719 33.323 31.700 -0.161 0.000 0.940 232 G N 2.332 111.097 108.800 -0.058 0.000 2.572 232 G HA2 0.127 4.088 3.960 0.001 0.000 0.261 232 G HA3 0.127 4.088 3.960 0.001 0.000 0.261 232 G C -1.117 173.800 174.900 0.029 0.000 1.197 232 G CA -0.402 44.695 45.100 -0.006 0.000 0.870 232 G HN 0.480 nan 8.290 nan 0.000 0.548 233 Y N 0.720 120.979 120.300 -0.069 0.000 2.587 233 Y HA 0.244 4.794 4.550 0.001 0.000 0.344 233 Y C 1.441 177.301 175.900 -0.067 0.000 1.061 233 Y CA -0.112 57.943 58.100 -0.076 0.000 1.370 233 Y CB 0.294 38.706 38.460 -0.080 0.000 1.163 233 Y HN 0.759 nan 8.280 nan 0.000 0.527 234 R N 2.199 122.406 120.500 -0.487 0.000 3.989 234 R HA -0.337 4.003 4.340 0.001 0.000 0.335 234 R C 0.420 176.607 176.300 -0.189 0.000 1.223 234 R CA 1.700 57.545 56.100 -0.425 0.000 0.962 234 R CB -1.952 27.927 30.300 -0.701 0.000 1.393 234 R HN 0.936 nan 8.270 nan 0.000 0.554 235 N N -0.886 117.752 118.700 -0.103 0.000 2.230 235 N HA 0.045 4.785 4.740 0.001 0.000 0.202 235 N C -0.182 175.293 175.510 -0.058 0.000 1.119 235 N CA -0.096 52.919 53.050 -0.058 0.000 0.851 235 N CB 0.387 38.864 38.487 -0.016 0.000 0.990 235 N HN 0.088 nan 8.380 nan 0.000 0.497 236 N N -0.001 118.656 118.700 -0.071 0.000 2.713 236 N HA -0.159 4.582 4.740 0.001 0.000 0.251 236 N C -0.415 175.064 175.510 -0.051 0.000 1.117 236 N CA 1.113 54.127 53.050 -0.060 0.000 0.770 236 N CB -1.585 36.867 38.487 -0.058 0.000 1.137 236 N HN 0.497 nan 8.380 nan 0.000 0.566 237 V N -1.751 118.139 119.914 -0.039 0.000 2.481 237 V HA 0.718 4.839 4.120 0.001 0.000 0.286 237 V C 0.202 176.275 176.094 -0.035 0.000 1.042 237 V CA -0.544 61.742 62.300 -0.023 0.000 0.928 237 V CB 2.232 34.080 31.823 0.042 0.000 0.986 237 V HN -0.084 nan 8.190 nan 0.000 0.462 238 V N 6.473 126.367 119.914 -0.033 0.000 2.482 238 V HA 0.531 4.652 4.120 0.001 0.000 0.295 238 V C -0.121 175.939 176.094 -0.056 0.000 1.026 238 V CA -0.638 61.596 62.300 -0.110 0.000 0.856 238 V CB 1.354 33.072 31.823 -0.175 0.000 1.001 238 V HN 1.020 nan 8.190 nan 0.000 0.424 239 N N 1.918 120.556 118.700 -0.102 0.000 2.476 239 N HA 0.545 5.285 4.740 0.001 0.000 0.287 239 N C -0.085 175.401 175.510 -0.040 0.000 1.262 239 N CA -0.365 52.664 53.050 -0.033 0.000 0.980 239 N CB 1.254 39.675 38.487 -0.109 0.000 1.163 239 N HN 0.578 nan 8.380 nan 0.000 0.592 240 T N 0.777 115.354 114.554 0.038 0.000 2.859 240 T HA 0.404 4.754 4.350 0.001 0.000 0.281 240 T C 0.020 174.679 174.700 -0.068 0.000 1.005 240 T CA -0.476 61.703 62.100 0.131 0.000 1.025 240 T CB 1.051 70.168 68.868 0.415 0.000 0.977 240 T HN 0.276 nan 8.240 nan 0.000 0.458 241 M N 3.380 122.896 119.600 -0.139 0.000 2.149 241 M HA 0.567 5.047 4.480 0.001 0.000 0.342 241 M C -0.589 175.549 176.300 -0.269 0.000 1.068 241 M CA -0.829 54.295 55.300 -0.293 0.000 0.991 241 M CB 0.770 33.140 32.600 -0.383 0.000 1.596 241 M HN 0.496 nan 8.290 nan 0.000 0.439 242 R N 4.723 124.951 120.500 -0.453 0.000 2.360 242 R HA 0.586 4.926 4.340 0.001 0.000 0.318 242 R C -2.231 173.762 176.300 -0.512 0.000 0.950 242 R CA -0.438 55.356 56.100 -0.509 0.000 0.837 242 R CB 0.972 30.833 30.300 -0.732 0.000 1.165 242 R HN 0.637 nan 8.270 nan 0.000 0.458 243 L N 5.352 126.367 121.223 -0.346 0.000 2.322 243 L HA 0.522 4.863 4.340 0.001 0.000 0.281 243 L C -0.996 175.748 176.870 -0.208 0.000 1.014 243 L CA -0.636 54.101 54.840 -0.171 0.000 0.815 243 L CB 1.139 43.171 42.059 -0.045 0.000 1.247 243 L HN 0.657 nan 8.230 nan 0.000 0.421 244 W N 2.238 123.647 121.300 0.181 0.000 2.365 244 W HA 0.595 5.256 4.660 0.001 0.000 0.316 244 W C 0.609 177.347 176.519 0.366 0.000 1.164 244 W CA -0.135 57.343 57.345 0.223 0.000 1.204 244 W CB 1.473 30.900 29.460 -0.056 0.000 1.213 244 W HN 0.418 nan 8.180 nan 0.000 0.539 245 S N 1.484 117.567 115.700 0.638 0.000 2.537 245 S HA 0.842 5.312 4.470 0.001 0.000 0.301 245 S C -0.676 174.271 174.600 0.578 0.000 1.092 245 S CA -0.666 57.813 58.200 0.465 0.000 1.048 245 S CB 0.800 64.244 63.200 0.408 0.000 1.053 245 S HN 0.496 nan 8.310 nan 0.000 0.501 246 A N 3.402 126.377 122.820 0.258 0.000 2.318 246 A HA 0.809 5.129 4.320 0.001 0.000 0.324 246 A C -0.944 176.715 177.584 0.125 0.000 1.170 246 A CA -0.809 51.298 52.037 0.116 0.000 0.810 246 A CB 0.638 19.377 19.000 -0.435 0.000 1.198 246 A HN 0.795 nan 8.150 nan 0.000 0.484 247 K N 1.231 121.731 120.400 0.166 0.000 2.498 247 K HA 0.776 5.096 4.320 0.001 0.000 0.254 247 K C -0.534 176.140 176.600 0.124 0.000 0.933 247 K CA -0.537 55.823 56.287 0.121 0.000 0.806 247 K CB 2.034 34.608 32.500 0.123 0.000 1.301 247 K HN 0.778 nan 8.250 nan 0.000 0.432 248 A N 2.619 125.491 122.820 0.087 0.000 2.440 248 A HA 0.351 4.672 4.320 0.001 0.000 0.251 248 A C -2.204 175.425 177.584 0.075 0.000 1.089 248 A CA -1.484 50.626 52.037 0.121 0.000 0.779 248 A CB -0.495 18.529 19.000 0.041 0.000 1.022 248 A HN 0.556 nan 8.150 nan 0.000 0.492 249 P HA -0.034 nan 4.420 nan 0.000 0.250 249 P C -0.653 176.573 177.300 -0.124 0.000 1.161 249 P CA 0.660 63.839 63.100 0.132 0.000 0.863 249 P CB -0.348 31.530 31.700 0.297 0.000 0.827 250 N N 2.724 121.342 118.700 -0.137 0.000 3.243 250 N HA 0.047 4.787 4.740 0.001 0.000 0.310 250 N C 0.166 175.585 175.510 -0.151 0.000 1.313 250 N CA 0.069 52.991 53.050 -0.212 0.000 1.204 250 N CB 0.081 38.498 38.487 -0.117 0.000 1.483 250 N HN 0.356 nan 8.380 nan 0.000 0.553 251 D N -0.264 120.036 120.400 -0.168 0.000 2.135 251 D HA -0.004 4.637 4.640 0.001 0.000 0.318 251 D C 0.026 176.330 176.300 0.007 0.000 1.109 251 D CA -0.007 53.969 54.000 -0.040 0.000 0.952 251 D CB 0.016 40.843 40.800 0.045 0.000 1.816 251 D HN 0.277 nan 8.370 nan 0.000 0.528 252 F N 3.123 123.066 119.950 -0.012 0.000 2.506 252 F HA 0.378 4.905 4.527 0.001 0.000 0.371 252 F C 0.931 176.708 175.800 -0.038 0.000 1.078 252 F CA -0.449 57.536 58.000 -0.025 0.000 1.195 252 F CB 0.112 39.104 39.000 -0.013 0.000 1.099 252 F HN -0.123 nan 8.300 nan 0.000 0.548 253 N N 2.078 120.826 118.700 0.080 0.000 1.963 253 N HA 0.132 4.872 4.740 0.001 0.000 0.244 253 N C 0.030 175.513 175.510 -0.045 0.000 1.288 253 N CA 0.401 53.439 53.050 -0.020 0.000 0.800 253 N CB 0.236 38.686 38.487 -0.061 0.000 1.293 253 N HN 0.637 nan 8.380 nan 0.000 0.483 254 L N -0.906 120.282 121.223 -0.058 0.000 1.645 254 L HA 0.335 4.675 4.340 0.001 0.000 0.177 254 L C -0.966 175.841 176.870 -0.106 0.000 1.266 254 L CA -0.002 54.724 54.840 -0.189 0.000 1.244 254 L CB -0.181 41.631 42.059 -0.413 0.000 2.568 254 L HN 0.026 nan 8.230 nan 0.000 0.502 255 K N 2.154 122.532 120.400 -0.038 0.000 2.359 255 K HA -0.164 4.156 4.320 0.001 0.000 0.256 255 K C 0.277 176.929 176.600 0.087 0.000 1.194 255 K CA 1.943 58.255 56.287 0.042 0.000 1.234 255 K CB -0.474 32.074 32.500 0.079 0.000 0.776 255 K HN 0.651 nan 8.250 nan 0.000 0.504 256 D N 2.855 123.314 120.400 0.098 0.000 4.719 256 D HA -0.177 4.463 4.640 0.001 0.000 0.171 256 D C -0.706 175.743 176.300 0.249 0.000 0.630 256 D CA 0.519 54.598 54.000 0.131 0.000 1.506 256 D CB -1.000 39.849 40.800 0.081 0.000 0.995 256 D HN 0.469 nan 8.370 nan 0.000 0.563 257 F N 0.121 120.092 119.950 0.034 0.000 2.961 257 F HA 0.173 4.700 4.527 0.000 0.000 0.463 257 F C 0.084 175.903 175.800 0.032 0.000 0.879 257 F CA 0.356 58.377 58.000 0.035 0.000 1.125 257 F CB -0.833 38.184 39.000 0.028 0.000 2.742 257 F HN 0.291 nan 8.300 nan 0.000 0.438 258 N N -0.220 118.552 118.700 0.119 0.000 2.415 258 N HA 0.125 4.865 4.740 0.001 0.000 0.176 258 N C 0.664 176.212 175.510 0.064 0.000 1.042 258 N CA 1.012 54.105 53.050 0.072 0.000 0.902 258 N CB -0.064 38.424 38.487 0.001 0.000 0.986 258 N HN 0.253 nan 8.380 nan 0.000 0.447 259 V N -4.202 115.738 119.914 0.044 0.000 3.503 259 V HA 0.860 4.980 4.120 0.001 0.000 0.294 259 V C 1.416 177.554 176.094 0.075 0.000 1.102 259 V CA -0.040 62.282 62.300 0.036 0.000 0.979 259 V CB 0.567 32.386 31.823 -0.006 0.000 1.240 259 V HN 0.419 nan 8.190 nan 0.000 0.444 260 G N 0.166 109.017 108.800 0.085 0.000 5.347 260 G HA2 -0.245 3.716 3.960 0.001 0.000 0.299 260 G HA3 -0.245 3.716 3.960 0.001 0.000 0.299 260 G C 1.369 176.404 174.900 0.224 0.000 1.492 260 G CA 0.889 46.072 45.100 0.137 0.000 0.991 260 G HN 1.999 nan 8.290 nan 0.000 0.749 261 G N -0.854 108.066 108.800 0.200 0.000 2.505 261 G HA2 0.131 4.092 3.960 0.001 0.000 0.220 261 G HA3 0.131 4.092 3.960 0.001 0.000 0.220 261 G C 0.578 175.668 174.900 0.316 0.000 1.145 261 G CA 2.198 47.408 45.100 0.184 0.000 0.761 261 G HN 1.472 nan 8.290 nan 0.000 0.571 262 Y N -2.351 117.969 120.300 0.034 0.000 2.276 262 Y HA 0.135 4.685 4.550 0.000 0.000 0.321 262 Y C 0.312 176.228 175.900 0.027 0.000 1.375 262 Y CA -1.820 56.295 58.100 0.026 0.000 1.347 262 Y CB -0.054 38.417 38.460 0.019 0.000 1.287 262 Y HN -0.021 nan 8.280 nan 0.000 0.433 263 I N 3.047 123.402 120.570 -0.358 0.000 2.953 263 I HA -0.276 3.894 4.170 0.001 0.000 0.271 263 I C 1.379 177.337 176.117 -0.265 0.000 1.286 263 I CA 1.448 62.562 61.300 -0.310 0.000 1.449 263 I CB 0.126 37.896 38.000 -0.383 0.000 1.086 263 I HN 0.746 nan 8.210 nan 0.000 0.483 264 Q N 0.592 120.238 119.800 -0.257 0.000 2.615 264 Q HA -0.073 4.267 4.340 0.001 0.000 0.220 264 Q C 1.620 177.606 176.000 -0.023 0.000 0.981 264 Q CA 1.177 56.928 55.803 -0.086 0.000 0.939 264 Q CB -0.934 27.810 28.738 0.011 0.000 0.982 264 Q HN 0.429 nan 8.270 nan 0.000 0.550 265 A N 0.256 123.070 122.820 -0.011 0.000 2.248 265 A HA 0.001 4.321 4.320 0.001 0.000 0.210 265 A C 1.921 179.607 177.584 0.170 0.000 1.174 265 A CA 0.652 52.703 52.037 0.023 0.000 0.750 265 A CB -0.463 18.540 19.000 0.005 0.000 0.780 265 A HN 0.298 nan 8.150 nan 0.000 0.478 266 V N -0.135 119.834 119.914 0.092 0.000 2.688 266 V HA -0.262 3.858 4.120 0.001 0.000 0.256 266 V C 2.341 178.482 176.094 0.078 0.000 1.084 266 V CA 1.982 64.325 62.300 0.072 0.000 1.103 266 V CB -0.607 31.211 31.823 -0.008 0.000 0.688 266 V HN 0.667 nan 8.190 nan 0.000 0.480 267 L N -0.713 120.547 121.223 0.061 0.000 2.127 267 L HA -0.032 4.308 4.340 0.001 0.000 0.203 267 L C 2.442 179.356 176.870 0.073 0.000 1.080 267 L CA 1.288 56.159 54.840 0.052 0.000 0.768 267 L CB -0.741 41.332 42.059 0.024 0.000 0.924 267 L HN 0.303 nan 8.230 nan 0.000 0.444 268 D N 1.037 121.480 120.400 0.072 0.000 2.103 268 D HA -0.242 4.398 4.640 0.001 0.000 0.190 268 D C 2.209 178.643 176.300 0.224 0.000 0.997 268 D CA 1.667 55.711 54.000 0.074 0.000 0.833 268 D CB 0.050 40.760 40.800 -0.150 0.000 0.961 268 D HN 0.114 nan 8.370 nan 0.000 0.447 269 R N 0.117 120.849 120.500 0.387 0.000 2.122 269 R HA -0.187 4.153 4.340 0.001 0.000 0.236 269 R C 2.441 178.824 176.300 0.137 0.000 1.129 269 R CA 1.783 58.046 56.100 0.272 0.000 0.925 269 R CB -0.647 29.733 30.300 0.134 0.000 0.850 269 R HN 0.391 nan 8.270 nan 0.000 0.431 270 N N 0.873 119.634 118.700 0.101 0.000 2.166 270 N HA -0.171 4.570 4.740 0.001 0.000 0.186 270 N C 1.700 177.250 175.510 0.068 0.000 1.019 270 N CA 1.225 54.318 53.050 0.071 0.000 0.856 270 N CB 0.010 38.530 38.487 0.056 0.000 0.993 270 N HN 0.242 nan 8.380 nan 0.000 0.426 271 L N 0.227 121.490 121.223 0.066 0.000 2.418 271 L HA 0.077 4.417 4.340 0.001 0.000 0.218 271 L C 2.476 179.358 176.870 0.020 0.000 1.125 271 L CA 0.448 55.314 54.840 0.044 0.000 0.835 271 L CB -0.240 41.841 42.059 0.036 0.000 0.953 271 L HN 0.201 nan 8.230 nan 0.000 0.454 272 A N 0.248 123.099 122.820 0.051 0.000 1.844 272 A HA -0.122 4.198 4.320 0.001 0.000 0.212 272 A C 2.003 179.596 177.584 0.015 0.000 1.221 272 A CA 0.762 52.829 52.037 0.050 0.000 0.607 272 A CB -0.363 18.720 19.000 0.138 0.000 0.878 272 A HN 0.320 nan 8.150 nan 0.000 0.451 273 E N 0.688 120.915 120.200 0.045 0.000 2.396 273 E HA -0.183 4.167 4.350 0.001 0.000 0.200 273 E C 0.791 177.407 176.600 0.026 0.000 1.023 273 E CA 1.126 57.545 56.400 0.031 0.000 0.857 273 E CB -0.456 29.278 29.700 0.056 0.000 0.775 273 E HN 0.912 nan 8.360 nan 0.000 0.525 274 N N 0.256 118.977 118.700 0.034 0.000 2.276 274 N HA 0.087 4.827 4.740 0.001 0.000 0.212 274 N C 1.395 176.934 175.510 0.050 0.000 1.127 274 N CA -0.149 52.939 53.050 0.064 0.000 0.834 274 N CB 0.182 38.723 38.487 0.089 0.000 1.014 274 N HN 0.099 nan 8.380 nan 0.000 0.491 275 I N 0.496 121.044 120.570 -0.036 0.000 2.353 275 I HA -0.148 4.023 4.170 0.001 0.000 0.248 275 I C 1.322 177.415 176.117 -0.039 0.000 1.119 275 I CA 0.981 62.230 61.300 -0.085 0.000 1.417 275 I CB 0.095 37.885 38.000 -0.350 0.000 1.078 275 I HN 0.196 nan 8.210 nan 0.000 0.421 276 S N -0.084 115.591 115.700 -0.042 0.000 2.556 276 S HA 0.165 4.635 4.470 0.001 0.000 0.216 276 S C 1.734 176.428 174.600 0.157 0.000 0.970 276 S CA -0.143 58.077 58.200 0.033 0.000 0.912 276 S CB 0.094 63.294 63.200 -0.001 0.000 0.790 276 S HN 0.342 nan 8.310 nan 0.000 0.504 277 R N 0.483 121.094 120.500 0.185 0.000 2.080 277 R HA 0.233 4.574 4.340 0.001 0.000 0.222 277 R C 0.145 176.638 176.300 0.322 0.000 1.107 277 R CA 0.731 57.003 56.100 0.287 0.000 0.980 277 R CB 0.132 30.657 30.300 0.375 0.000 0.879 277 R HN 0.173 nan 8.270 nan 0.000 0.439 278 V N 0.722 120.713 119.914 0.128 0.000 3.007 278 V HA 0.268 4.388 4.120 0.001 0.000 0.311 278 V C -0.657 175.135 176.094 -0.504 0.000 1.120 278 V CA -0.890 61.342 62.300 -0.113 0.000 0.980 278 V CB 2.609 34.349 31.823 -0.139 0.000 1.033 278 V HN 0.079 nan 8.190 nan 0.000 0.429 279 L N 3.232 124.047 121.223 -0.680 0.000 2.436 279 L HA 0.468 4.808 4.340 0.001 0.000 0.265 279 L C -1.234 175.364 176.870 -0.454 0.000 1.168 279 L CA 0.026 54.370 54.840 -0.826 0.000 0.815 279 L CB 0.965 42.570 42.059 -0.756 0.000 1.109 279 L HN 0.620 nan 8.230 nan 0.000 0.462 280 Y N 1.897 122.112 120.300 -0.142 0.000 2.638 280 Y HA 0.621 5.171 4.550 0.001 0.000 0.339 280 Y C -1.973 173.912 175.900 -0.025 0.000 1.084 280 Y CA -1.788 56.292 58.100 -0.032 0.000 1.068 280 Y CB 1.386 39.861 38.460 0.025 0.000 1.294 280 Y HN 0.427 nan 8.280 nan 0.000 0.480 288 G N 0.300 109.044 108.800 -0.094 0.000 2.955 288 G HA2 0.563 4.523 3.960 0.001 0.000 0.336 288 G HA3 0.563 4.523 3.960 0.001 0.000 0.336 288 G C -0.979 174.040 174.900 0.199 0.000 1.264 288 G CA -0.295 44.773 45.100 -0.053 0.000 1.096 288 G HN 0.473 nan 8.290 nan 0.000 0.486 289 K N 1.436 122.037 120.400 0.335 0.000 2.536 289 K HA 0.298 4.618 4.320 0.001 0.000 0.269 289 K C 0.400 177.064 176.600 0.108 0.000 0.965 289 K CA -0.676 55.702 56.287 0.150 0.000 0.860 289 K CB 2.280 34.769 32.500 -0.018 0.000 1.423 289 K HN 0.266 nan 8.250 nan 0.000 0.438 290 E N 2.117 122.330 120.200 0.022 0.000 2.085 290 E HA -0.177 4.173 4.350 0.001 0.000 0.194 290 E C 1.423 177.972 176.600 -0.086 0.000 0.994 290 E CA 1.257 57.611 56.400 -0.077 0.000 0.801 290 E CB 0.064 29.748 29.700 -0.026 0.000 0.743 290 E HN 0.632 nan 8.360 nan 0.000 0.453 291 L N 0.403 121.616 121.223 -0.017 0.000 2.131 291 L HA -0.169 4.171 4.340 0.001 0.000 0.210 291 L C 2.690 179.627 176.870 0.112 0.000 1.092 291 L CA 0.972 55.847 54.840 0.060 0.000 0.759 291 L CB -0.206 41.980 42.059 0.211 0.000 0.903 291 L HN 0.183 nan 8.230 nan 0.000 0.435 292 R N -0.701 119.826 120.500 0.045 0.000 2.092 292 R HA -0.167 4.173 4.340 0.001 0.000 0.231 292 R C 2.080 178.451 176.300 0.118 0.000 1.119 292 R CA 1.065 57.264 56.100 0.164 0.000 0.970 292 R CB -0.474 29.976 30.300 0.249 0.000 0.864 292 R HN 0.244 nan 8.270 nan 0.000 0.440 293 L N 1.686 122.799 121.223 -0.182 0.000 2.109 293 L HA -0.099 4.241 4.340 0.001 0.000 0.207 293 L C 1.935 178.752 176.870 -0.088 0.000 1.086 293 L CA 1.776 56.354 54.840 -0.436 0.000 0.760 293 L CB -0.226 41.260 42.059 -0.955 0.000 0.910 293 L HN -0.047 nan 8.230 nan 0.000 0.437 294 K N -0.994 119.382 120.400 -0.040 0.000 2.097 294 K HA -0.175 4.145 4.320 0.001 0.000 0.206 294 K C 2.071 178.855 176.600 0.307 0.000 1.049 294 K CA 1.564 57.912 56.287 0.102 0.000 0.933 294 K CB -0.125 32.234 32.500 -0.234 0.000 0.717 294 K HN 0.504 nan 8.250 nan 0.000 0.442 295 Q N 0.499 120.448 119.800 0.247 0.000 2.119 295 Q HA -0.161 4.179 4.340 0.001 0.000 0.201 295 Q C 1.799 178.007 176.000 0.347 0.000 0.972 295 Q CA 1.276 57.274 55.803 0.326 0.000 0.847 295 Q CB 0.079 29.023 28.738 0.342 0.000 0.903 295 Q HN 0.387 nan 8.270 nan 0.000 0.433 296 E N -0.366 119.999 120.200 0.275 0.000 2.107 296 E HA -0.175 4.175 4.350 0.001 0.000 0.191 296 E C 1.596 178.320 176.600 0.207 0.000 0.982 296 E CA 0.779 57.322 56.400 0.238 0.000 0.809 296 E CB -0.026 29.810 29.700 0.227 0.000 0.756 296 E HN 0.307 nan 8.360 nan 0.000 0.459 297 Y N 0.275 120.627 120.300 0.087 0.000 2.286 297 Y HA -0.148 4.402 4.550 0.001 0.000 0.293 297 Y C 1.911 177.849 175.900 0.064 0.000 1.124 297 Y CA 0.824 58.928 58.100 0.007 0.000 1.178 297 Y CB -0.264 38.184 38.460 -0.020 0.000 1.010 297 Y HN 0.008 nan 8.280 nan 0.000 0.536 298 F N -0.257 119.693 119.950 -0.000 0.000 2.065 298 F HA -0.250 4.278 4.527 0.001 0.000 0.298 298 F C 2.431 178.086 175.800 -0.241 0.000 1.112 298 F CA 2.096 60.029 58.000 -0.111 0.000 1.212 298 F CB -1.034 38.055 39.000 0.149 0.000 0.975 298 F HN -0.087 nan 8.300 nan 0.000 0.476 299 V N -0.402 119.454 119.914 -0.098 0.000 2.594 299 V HA -0.187 3.934 4.120 0.001 0.000 0.253 299 V C 2.058 177.959 176.094 -0.321 0.000 1.069 299 V CA 1.848 64.034 62.300 -0.189 0.000 1.082 299 V CB -0.321 31.615 31.823 0.187 0.000 0.680 299 V HN 0.307 nan 8.190 nan 0.000 0.469 300 V N 0.009 119.738 119.914 -0.309 0.000 2.446 300 V HA -0.033 4.088 4.120 0.001 0.000 0.244 300 V C 2.732 178.531 176.094 -0.491 0.000 1.039 300 V CA 1.728 63.836 62.300 -0.320 0.000 1.045 300 V CB -0.587 31.118 31.823 -0.197 0.000 0.681 300 V HN 0.616 nan 8.190 nan 0.000 0.459 301 A N -0.017 122.360 122.820 -0.738 0.000 1.902 301 A HA -0.106 4.215 4.320 0.001 0.000 0.217 301 A C 2.376 179.573 177.584 -0.645 0.000 1.181 301 A CA 2.144 53.759 52.037 -0.703 0.000 0.623 301 A CB -0.751 17.662 19.000 -0.979 0.000 0.818 301 A HN 0.547 nan 8.150 nan 0.000 0.443 302 A N -1.097 121.169 122.820 -0.924 0.000 1.855 302 A HA -0.045 4.275 4.320 0.001 0.000 0.215 302 A C 2.325 179.309 177.584 -1.001 0.000 1.191 302 A CA 2.257 53.536 52.037 -1.264 0.000 0.613 302 A CB -1.396 16.279 19.000 -2.208 0.000 0.829 302 A HN 0.409 nan 8.150 nan 0.000 0.442 303 T N 0.508 114.566 114.554 -0.826 0.000 2.607 303 T HA -0.171 4.179 4.350 0.001 0.000 0.267 303 T C 1.774 176.166 174.700 -0.513 0.000 1.049 303 T CA 1.833 63.618 62.100 -0.525 0.000 1.162 303 T CB -0.444 68.142 68.868 -0.470 0.000 0.863 303 T HN 0.200 nan 8.240 nan 0.000 0.424 304 L N 1.054 122.024 121.223 -0.422 0.000 2.079 304 L HA -0.087 4.253 4.340 0.001 0.000 0.210 304 L C 2.674 179.400 176.870 -0.240 0.000 1.081 304 L CA 1.604 56.259 54.840 -0.309 0.000 0.752 304 L CB -0.847 41.067 42.059 -0.241 0.000 0.896 304 L HN 0.313 nan 8.230 nan 0.000 0.433 305 Q N -1.036 118.615 119.800 -0.250 0.000 2.124 305 Q HA -0.240 4.100 4.340 0.001 0.000 0.202 305 Q C 1.802 177.746 176.000 -0.094 0.000 0.977 305 Q CA 1.620 57.332 55.803 -0.152 0.000 0.850 305 Q CB -0.089 28.551 28.738 -0.163 0.000 0.901 305 Q HN 0.460 nan 8.270 nan 0.000 0.429 306 D N 0.303 120.636 120.400 -0.112 0.000 2.091 306 D HA -0.083 4.557 4.640 0.001 0.000 0.199 306 D C 1.702 177.944 176.300 -0.097 0.000 0.980 306 D CA 0.824 54.814 54.000 -0.016 0.000 0.831 306 D CB -0.042 40.849 40.800 0.152 0.000 0.987 306 D HN 0.133 nan 8.370 nan 0.000 0.460 307 I N 0.429 120.834 120.570 -0.276 0.000 2.118 307 I HA -0.284 3.886 4.170 0.001 0.000 0.241 307 I C 2.389 178.501 176.117 -0.008 0.000 1.070 307 I CA 0.909 61.986 61.300 -0.372 0.000 1.327 307 I CB -0.230 37.375 38.000 -0.658 0.000 1.034 307 I HN 0.074 nan 8.210 nan 0.000 0.405 308 I N 0.210 120.834 120.570 0.091 0.000 2.179 308 I HA -0.287 3.883 4.170 0.001 0.000 0.242 308 I C 2.830 179.094 176.117 0.245 0.000 1.088 308 I CA 1.161 62.634 61.300 0.289 0.000 1.357 308 I CB -0.518 37.584 38.000 0.170 0.000 1.051 308 I HN 0.287 nan 8.210 nan 0.000 0.409 309 R N 1.799 122.373 120.500 0.124 0.000 2.075 309 R HA -0.183 4.158 4.340 0.001 0.000 0.232 309 R C 2.314 178.670 176.300 0.094 0.000 1.126 309 R CA 1.646 57.808 56.100 0.103 0.000 0.963 309 R CB -0.483 29.859 30.300 0.070 0.000 0.858 309 R HN 0.279 nan 8.270 nan 0.000 0.435 310 R N -0.491 120.054 120.500 0.074 0.000 2.148 310 R HA -0.133 4.207 4.340 0.001 0.000 0.227 310 R C 2.133 178.511 176.300 0.130 0.000 1.103 310 R CA 1.199 57.345 56.100 0.075 0.000 0.983 310 R CB -0.374 29.954 30.300 0.048 0.000 0.874 310 R HN 0.266 nan 8.270 nan 0.000 0.451 311 F N 1.295 121.251 119.950 0.011 0.000 2.146 311 F HA -0.079 4.448 4.527 0.001 0.000 0.298 311 F C 1.494 177.270 175.800 -0.040 0.000 1.096 311 F CA 1.524 59.470 58.000 -0.089 0.000 1.275 311 F CB 0.069 39.054 39.000 -0.024 0.000 1.008 311 F HN -0.117 nan 8.300 nan 0.000 0.480 312 K N -0.090 120.285 120.400 -0.041 0.000 2.025 312 K HA -0.016 4.304 4.320 0.001 0.000 0.211 312 K C 2.199 178.809 176.600 0.016 0.000 1.029 312 K CA 1.256 57.495 56.287 -0.080 0.000 0.948 312 K CB -0.750 31.768 32.500 0.030 0.000 0.768 312 K HN 0.047 nan 8.250 nan 0.000 0.446 313 S N 1.284 117.015 115.700 0.051 0.000 2.365 313 S HA -0.136 4.334 4.470 0.001 0.000 0.221 313 S C 1.229 175.880 174.600 0.086 0.000 1.037 313 S CA 0.855 59.090 58.200 0.058 0.000 1.060 313 S CB -0.331 62.901 63.200 0.054 0.000 0.974 313 S HN 0.252 nan 8.310 nan 0.000 0.427 314 S N 0.941 116.698 115.700 0.094 0.000 2.498 314 S HA 0.208 4.679 4.470 0.001 0.000 0.281 314 S C 0.789 175.572 174.600 0.305 0.000 1.265 314 S CA 0.072 58.372 58.200 0.166 0.000 1.071 314 S CB 0.115 63.376 63.200 0.101 0.000 0.894 314 S HN 0.392 nan 8.310 nan 0.000 0.491 315 K N 4.216 124.890 120.400 0.456 0.000 10.341 315 K HA -0.267 4.053 4.320 0.001 0.000 0.518 315 K C 0.311 176.967 176.600 0.092 0.000 0.380 315 K CA 2.739 59.158 56.287 0.219 0.000 1.946 315 K CB -1.914 30.680 32.500 0.157 0.000 0.755 315 K HN 0.615 nan 8.250 nan 0.000 1.155 316 F N 0.746 120.567 119.950 -0.214 0.000 2.703 316 F HA 0.262 4.790 4.527 0.001 0.000 0.299 316 F C 1.871 177.547 175.800 -0.206 0.000 1.229 316 F CA 0.648 58.457 58.000 -0.318 0.000 1.430 316 F CB -0.255 38.313 39.000 -0.720 0.000 1.053 316 F HN 0.346 nan 8.300 nan 0.000 0.513 317 G N -0.579 108.230 108.800 0.016 0.000 2.497 317 G HA2 -0.139 3.822 3.960 0.001 0.000 0.210 317 G HA3 -0.139 3.822 3.960 0.001 0.000 0.210 317 G C 1.690 176.570 174.900 -0.034 0.000 1.177 317 G CA 0.780 45.883 45.100 0.005 0.000 0.822 317 G HN 0.515 nan 8.290 nan 0.000 0.550 318 C N -0.759 118.514 119.300 -0.044 0.000 2.541 318 C HA 0.423 4.883 4.460 0.001 0.000 0.284 318 C C 1.766 176.646 174.990 -0.184 0.000 1.341 318 C CA -0.196 58.773 59.018 -0.082 0.000 1.732 318 C CB -0.671 27.042 27.740 -0.045 0.000 2.126 318 C HN 0.203 nan 8.230 nan 0.000 0.505 319 R N 2.086 122.401 120.500 -0.308 0.000 4.138 319 R HA 0.106 4.446 4.340 0.001 0.000 0.206 319 R C 0.525 176.374 176.300 -0.752 0.000 1.667 319 R CA 0.239 56.022 56.100 -0.528 0.000 1.481 319 R CB -0.597 29.301 30.300 -0.670 0.000 1.388 319 R HN 0.624 nan 8.270 nan 0.000 0.776 320 D N 1.960 122.135 120.400 -0.376 0.000 2.103 320 D HA -0.143 4.498 4.640 0.001 0.000 0.190 320 D C -1.125 175.159 176.300 -0.027 0.000 0.997 320 D CA 1.764 55.650 54.000 -0.189 0.000 0.833 320 D CB 0.228 40.970 40.800 -0.097 0.000 0.961 320 D HN 0.363 nan 8.370 nan 0.000 0.447 321 P HA 0.114 nan 4.420 nan 0.000 0.269 321 P C 0.131 177.449 177.300 0.030 0.000 1.169 321 P CA 0.050 63.146 63.100 -0.006 0.000 0.922 321 P CB 0.589 32.248 31.700 -0.069 0.000 1.245 322 V N 4.190 124.143 119.914 0.065 0.000 2.055 322 V HA 0.286 4.406 4.120 0.001 0.000 0.248 322 V C 0.060 176.193 176.094 0.065 0.000 1.476 322 V CA -0.459 61.881 62.300 0.066 0.000 1.417 322 V CB -1.942 29.936 31.823 0.092 0.000 1.465 322 V HN 0.187 nan 8.190 nan 0.000 0.502 323 R N 2.104 122.631 120.500 0.045 0.000 3.332 323 R HA -0.173 4.168 4.340 0.001 0.000 0.263 323 R C 0.274 176.595 176.300 0.035 0.000 1.053 323 R CA 1.090 57.215 56.100 0.042 0.000 0.705 323 R CB -3.490 26.845 30.300 0.058 0.000 1.166 323 R HN 1.341 nan 8.270 nan 0.000 0.427 324 T N -0.179 114.380 114.554 0.008 0.000 0.844 324 T HA -0.200 4.150 4.350 0.001 0.000 0.740 324 T C -0.320 174.302 174.700 -0.129 0.000 0.987 324 T CA 1.208 63.287 62.100 -0.036 0.000 3.913 324 T CB -0.282 68.559 68.868 -0.045 0.000 2.211 324 T HN 0.785 nan 8.240 nan 0.000 0.385 325 N N 2.946 121.598 118.700 -0.080 0.000 2.710 325 N HA 0.349 5.089 4.740 0.001 0.000 0.257 325 N C 0.555 176.099 175.510 0.058 0.000 1.327 325 N CA -1.078 51.875 53.050 -0.162 0.000 0.861 325 N CB 0.636 39.185 38.487 0.103 0.000 1.532 325 N HN 0.306 nan 8.380 nan 0.000 0.499 326 F N 0.663 120.744 119.950 0.218 0.000 2.494 326 F HA -0.028 4.500 4.527 0.001 0.000 0.298 326 F C 1.964 177.813 175.800 0.082 0.000 1.106 326 F CA 0.461 58.491 58.000 0.050 0.000 1.452 326 F CB -0.042 38.857 39.000 -0.168 0.000 1.085 326 F HN 0.458 nan 8.300 nan 0.000 0.569 327 D N 0.421 120.966 120.400 0.243 0.000 2.190 327 D HA -0.194 4.446 4.640 0.001 0.000 0.200 327 D C 2.081 178.492 176.300 0.185 0.000 0.992 327 D CA 1.506 55.614 54.000 0.179 0.000 0.854 327 D CB -0.011 40.878 40.800 0.148 0.000 0.936 327 D HN 0.373 nan 8.370 nan 0.000 0.462 328 A N -0.462 122.514 122.820 0.260 0.000 2.308 328 A HA 0.065 4.386 4.320 0.001 0.000 0.217 328 A C 1.492 179.175 177.584 0.166 0.000 1.216 328 A CA -0.379 51.817 52.037 0.265 0.000 0.864 328 A CB -0.374 18.882 19.000 0.426 0.000 0.902 328 A HN 0.098 nan 8.150 nan 0.000 0.499 329 F N 1.960 121.797 119.950 -0.189 0.000 2.095 329 F HA -0.064 4.463 4.527 0.000 0.000 0.298 329 F C -0.883 174.771 175.800 -0.244 0.000 1.104 329 F CA 1.902 59.549 58.000 -0.589 0.000 1.232 329 F CB -0.784 37.890 39.000 -0.543 0.000 0.987 329 F HN 0.181 nan 8.300 nan 0.000 0.475 330 P HA -0.115 nan 4.420 nan 0.000 0.222 330 P C 0.868 178.129 177.300 -0.066 0.000 1.147 330 P CA 1.606 64.662 63.100 -0.073 0.000 0.790 330 P CB -0.047 31.631 31.700 -0.036 0.000 0.780 331 D N -1.087 119.301 120.400 -0.020 0.000 2.249 331 D HA -0.035 4.605 4.640 0.001 0.000 0.205 331 D C 1.601 177.912 176.300 0.019 0.000 0.962 331 D CA 0.978 54.993 54.000 0.026 0.000 0.860 331 D CB 0.070 40.924 40.800 0.089 0.000 0.955 331 D HN 0.151 nan 8.370 nan 0.000 0.505 332 K N 0.016 120.395 120.400 -0.034 0.000 2.399 332 K HA 0.203 4.523 4.320 0.001 0.000 0.196 332 K C 0.219 176.741 176.600 -0.130 0.000 1.103 332 K CA 0.146 56.416 56.287 -0.027 0.000 0.986 332 K CB 1.908 34.448 32.500 0.067 0.000 0.952 332 K HN -0.036 nan 8.250 nan 0.000 0.541 333 V N 1.031 120.767 119.914 -0.296 0.000 2.656 333 V HA 0.665 4.785 4.120 0.001 0.000 0.307 333 V C -0.963 175.034 176.094 -0.162 0.000 1.051 333 V CA -1.299 60.825 62.300 -0.293 0.000 0.893 333 V CB 1.804 33.131 31.823 -0.826 0.000 0.999 333 V HN 0.117 nan 8.190 nan 0.000 0.426 334 A N 5.306 128.098 122.820 -0.047 0.000 2.335 334 A HA 0.875 5.195 4.320 0.001 0.000 0.304 334 A C -0.927 176.687 177.584 0.050 0.000 1.118 334 A CA -0.444 51.596 52.037 0.005 0.000 0.757 334 A CB 0.840 19.818 19.000 -0.037 0.000 1.188 334 A HN 0.770 nan 8.150 nan 0.000 0.460 335 I N 1.969 122.595 120.570 0.093 0.000 2.312 335 I HA 0.268 4.438 4.170 0.001 0.000 0.290 335 I C 0.002 176.199 176.117 0.133 0.000 1.008 335 I CA -0.495 60.869 61.300 0.106 0.000 1.226 335 I CB 1.695 39.724 38.000 0.047 0.000 1.371 335 I HN 0.690 nan 8.210 nan 0.000 0.468 336 Q N 6.068 125.951 119.800 0.138 0.000 2.322 336 Q HA 0.396 4.736 4.340 0.001 0.000 0.256 336 Q C -1.346 174.668 176.000 0.023 0.000 0.960 336 Q CA -0.419 55.486 55.803 0.171 0.000 0.934 336 Q CB 0.998 29.893 28.738 0.261 0.000 1.200 336 Q HN 0.447 nan 8.270 nan 0.000 0.435 337 L N 4.500 125.776 121.223 0.087 0.000 2.255 337 L HA 0.353 4.694 4.340 0.001 0.000 0.289 337 L C -0.509 176.440 176.870 0.133 0.000 1.046 337 L CA -0.074 54.827 54.840 0.100 0.000 0.816 337 L CB 0.839 42.984 42.059 0.144 0.000 1.197 337 L HN 0.563 nan 8.230 nan 0.000 0.427 338 N N 3.802 122.533 118.700 0.051 0.000 2.521 338 N HA 0.246 4.987 4.740 0.001 0.000 0.236 338 N C -0.618 174.977 175.510 0.141 0.000 1.067 338 N CA 0.135 53.244 53.050 0.099 0.000 0.939 338 N CB 0.017 38.460 38.487 -0.073 0.000 1.201 338 N HN 0.482 nan 8.380 nan 0.000 0.511 339 D N -1.153 119.379 120.400 0.221 0.000 4.808 339 D HA -0.202 4.438 4.640 0.001 0.000 0.304 339 D C 0.575 176.961 176.300 0.144 0.000 2.360 339 D CA 1.312 55.387 54.000 0.126 0.000 1.222 339 D CB -0.279 40.372 40.800 -0.249 0.000 1.085 339 D HN 0.483 nan 8.370 nan 0.000 1.266 340 T N -2.823 111.720 114.554 -0.017 0.000 3.129 340 T HA 0.060 4.410 4.350 0.001 0.000 0.251 340 T C 1.495 176.221 174.700 0.045 0.000 1.117 340 T CA 1.443 63.553 62.100 0.016 0.000 1.034 340 T CB -0.396 68.478 68.868 0.010 0.000 0.968 340 T HN 0.483 nan 8.240 nan 0.000 0.526 341 H N 2.596 121.772 119.070 0.176 0.000 2.352 341 H HA 0.009 4.565 4.556 0.001 0.000 0.299 341 H C -0.919 174.507 175.328 0.164 0.000 1.097 341 H CA 1.155 57.314 56.048 0.185 0.000 1.311 341 H CB -0.966 28.892 29.762 0.160 0.000 1.377 341 H HN 0.443 nan 8.280 nan 0.000 0.504 342 P HA 0.069 nan 4.420 nan 0.000 0.254 342 P C 0.579 177.928 177.300 0.083 0.000 1.494 342 P CA 0.334 63.515 63.100 0.136 0.000 0.961 342 P CB 0.343 32.108 31.700 0.108 0.000 1.493 343 S N -0.513 115.233 115.700 0.077 0.000 2.447 343 S HA -0.081 4.389 4.470 0.001 0.000 0.233 343 S C 1.687 176.300 174.600 0.022 0.000 1.006 343 S CA 0.678 58.887 58.200 0.014 0.000 0.957 343 S CB -1.374 61.818 63.200 -0.013 0.000 0.773 343 S HN 0.156 nan 8.310 nan 0.000 0.507 344 L N 1.043 122.295 121.223 0.049 0.000 2.549 344 L HA 0.016 4.356 4.340 0.001 0.000 0.230 344 L C 2.807 179.700 176.870 0.038 0.000 1.162 344 L CA 0.627 55.489 54.840 0.038 0.000 0.834 344 L CB -0.659 41.424 42.059 0.040 0.000 0.947 344 L HN 0.465 nan 8.230 nan 0.000 0.452 345 A N 0.281 123.106 122.820 0.009 0.000 2.019 345 A HA -0.164 4.156 4.320 0.001 0.000 0.219 345 A C 2.163 179.737 177.584 -0.017 0.000 1.164 345 A CA 1.347 53.370 52.037 -0.023 0.000 0.644 345 A CB -0.389 18.591 19.000 -0.033 0.000 0.805 345 A HN 0.390 nan 8.150 nan 0.000 0.449 346 I N 0.234 120.804 120.570 -0.000 0.000 2.193 346 I HA -0.104 4.066 4.170 0.001 0.000 0.240 346 I C -0.310 175.842 176.117 0.058 0.000 1.084 346 I CA 1.154 62.459 61.300 0.007 0.000 1.365 346 I CB -0.957 37.052 38.000 0.016 0.000 1.064 346 I HN 0.231 nan 8.210 nan 0.000 0.410 347 P HA -0.184 nan 4.420 nan 0.000 0.218 347 P C 1.277 178.653 177.300 0.126 0.000 1.149 347 P CA 1.567 64.741 63.100 0.123 0.000 0.817 347 P CB 0.093 31.902 31.700 0.183 0.000 0.785 348 E N 0.272 120.583 120.200 0.186 0.000 2.047 348 E HA -0.145 4.205 4.350 0.001 0.000 0.191 348 E C 1.976 178.568 176.600 -0.014 0.000 0.987 348 E CA 0.701 57.211 56.400 0.184 0.000 0.799 348 E CB -1.288 28.505 29.700 0.155 0.000 0.752 348 E HN -0.020 nan 8.360 nan 0.000 0.449 349 L N 0.095 121.269 121.223 -0.082 0.000 2.042 349 L HA -0.128 4.212 4.340 0.001 0.000 0.210 349 L C 2.126 178.848 176.870 -0.246 0.000 1.076 349 L CA 1.805 56.528 54.840 -0.195 0.000 0.749 349 L CB -0.675 41.272 42.059 -0.186 0.000 0.893 349 L HN 0.243 nan 8.230 nan 0.000 0.432 350 M N -0.915 118.576 119.600 -0.182 0.000 2.080 350 M HA -0.228 4.252 4.480 0.001 0.000 0.260 350 M C 2.433 178.606 176.300 -0.211 0.000 1.068 350 M CA 1.553 56.720 55.300 -0.221 0.000 1.109 350 M CB -1.173 31.332 32.600 -0.158 0.000 1.342 350 M HN 0.327 nan 8.290 nan 0.000 0.405 351 R N -0.087 120.317 120.500 -0.160 0.000 2.083 351 R HA -0.129 4.211 4.340 0.001 0.000 0.237 351 R C 2.103 178.313 176.300 -0.149 0.000 1.137 351 R CA 1.605 57.606 56.100 -0.164 0.000 0.951 351 R CB -0.196 29.987 30.300 -0.194 0.000 0.851 351 R HN 0.210 nan 8.270 nan 0.000 0.434 352 V N 1.418 121.236 119.914 -0.160 0.000 2.343 352 V HA -0.245 3.875 4.120 0.001 0.000 0.247 352 V C 2.368 178.299 176.094 -0.272 0.000 1.051 352 V CA 1.597 63.786 62.300 -0.185 0.000 1.036 352 V CB -0.341 31.355 31.823 -0.212 0.000 0.654 352 V HN 0.336 nan 8.190 nan 0.000 0.451 353 L N -0.716 120.277 121.223 -0.382 0.000 2.044 353 L HA -0.096 4.244 4.340 0.001 0.000 0.205 353 L C 2.459 179.168 176.870 -0.268 0.000 1.075 353 L CA 1.094 55.667 54.840 -0.446 0.000 0.747 353 L CB -0.675 41.041 42.059 -0.571 0.000 0.903 353 L HN 0.193 nan 8.230 nan 0.000 0.435 354 V N -0.232 119.554 119.914 -0.214 0.000 2.323 354 V HA -0.234 3.886 4.120 0.001 0.000 0.244 354 V C 1.962 178.013 176.094 -0.072 0.000 1.041 354 V CA 1.863 64.092 62.300 -0.118 0.000 1.025 354 V CB -0.414 31.348 31.823 -0.101 0.000 0.656 354 V HN 0.381 nan 8.190 nan 0.000 0.451 355 D N -0.536 119.812 120.400 -0.087 0.000 2.162 355 D HA 0.000 4.640 4.640 0.001 0.000 0.205 355 D C 1.853 178.125 176.300 -0.048 0.000 0.964 355 D CA 0.812 54.776 54.000 -0.059 0.000 0.847 355 D CB 0.028 40.788 40.800 -0.066 0.000 0.988 355 D HN 0.221 nan 8.370 nan 0.000 0.480 356 L N 0.599 121.784 121.223 -0.063 0.000 2.253 356 L HA 0.090 4.430 4.340 0.001 0.000 0.205 356 L C 1.746 178.602 176.870 -0.024 0.000 1.078 356 L CA 1.148 55.964 54.840 -0.040 0.000 0.805 356 L CB -0.152 41.881 42.059 -0.044 0.000 0.963 356 L HN -0.101 nan 8.230 nan 0.000 0.459 357 E N -0.439 119.730 120.200 -0.052 0.000 2.481 357 E HA 0.085 4.436 4.350 0.001 0.000 0.198 357 E C -0.008 176.596 176.600 0.007 0.000 1.027 357 E CA -0.172 56.225 56.400 -0.005 0.000 0.900 357 E CB 0.355 30.026 29.700 -0.047 0.000 0.993 357 E HN 0.037 nan 8.360 nan 0.000 0.482 358 R N 0.499 120.989 120.500 -0.016 0.000 3.333 358 R HA -0.157 4.183 4.340 0.001 0.000 0.256 358 R C -0.454 175.853 176.300 0.011 0.000 1.010 358 R CA 0.324 56.426 56.100 0.004 0.000 0.680 358 R CB -2.435 27.880 30.300 0.026 0.000 1.102 358 R HN 0.169 nan 8.270 nan 0.000 0.440 359 L N 0.087 121.295 121.223 -0.026 0.000 2.399 359 L HA 0.386 4.726 4.340 0.001 0.000 0.265 359 L C 0.743 177.613 176.870 -0.000 0.000 1.089 359 L CA -0.983 53.849 54.840 -0.013 0.000 0.802 359 L CB 0.754 42.772 42.059 -0.069 0.000 1.180 359 L HN 0.058 nan 8.230 nan 0.000 0.454 360 D N -0.142 120.282 120.400 0.040 0.000 2.368 360 D HA -0.072 4.568 4.640 0.001 0.000 0.240 360 D C 0.503 176.858 176.300 0.091 0.000 1.169 360 D CA -0.210 53.848 54.000 0.096 0.000 0.906 360 D CB 0.841 41.713 40.800 0.120 0.000 1.187 360 D HN 0.538 nan 8.370 nan 0.000 0.435 361 W N 1.148 122.463 121.300 0.024 0.000 2.301 361 W HA -0.236 4.424 4.660 0.001 0.000 0.325 361 W C 1.551 178.126 176.519 0.094 0.000 1.250 361 W CA 1.967 59.333 57.345 0.034 0.000 1.261 361 W CB -0.247 29.216 29.460 0.004 0.000 1.157 361 W HN 0.495 nan 8.180 nan 0.000 0.473 362 D N -0.742 119.911 120.400 0.421 0.000 2.178 362 D HA -0.222 4.418 4.640 0.001 0.000 0.201 362 D C 1.900 178.314 176.300 0.190 0.000 0.980 362 D CA 1.622 55.833 54.000 0.352 0.000 0.842 362 D CB -0.244 40.730 40.800 0.290 0.000 0.948 362 D HN -0.034 nan 8.370 nan 0.000 0.472 363 K N 1.099 121.561 120.400 0.104 0.000 2.001 363 K HA 0.036 4.357 4.320 0.001 0.000 0.208 363 K C 1.856 178.442 176.600 -0.024 0.000 1.048 363 K CA 1.429 57.745 56.287 0.049 0.000 0.932 363 K CB -0.699 31.826 32.500 0.042 0.000 0.715 363 K HN 0.037 nan 8.250 nan 0.000 0.437 364 A N 0.773 123.531 122.820 -0.104 0.000 1.892 364 A HA -0.218 4.103 4.320 0.001 0.000 0.218 364 A C 2.295 179.758 177.584 -0.201 0.000 1.188 364 A CA 1.719 53.620 52.037 -0.227 0.000 0.631 364 A CB -1.321 17.480 19.000 -0.333 0.000 0.822 364 A HN 0.718 nan 8.150 nan 0.000 0.447 365 W N 0.615 121.666 121.300 -0.416 0.000 2.363 365 W HA -0.140 4.521 4.660 0.000 0.000 0.296 365 W C 2.026 178.465 176.519 -0.134 0.000 1.212 365 W CA 1.788 58.922 57.345 -0.352 0.000 1.260 365 W CB -0.008 29.230 29.460 -0.369 0.000 1.131 365 W HN 0.608 nan 8.180 nan 0.000 0.530 366 E N 0.266 120.439 120.200 -0.044 0.000 2.072 366 E HA -0.173 4.178 4.350 0.001 0.000 0.191 366 E C 2.035 178.547 176.600 -0.146 0.000 0.985 366 E CA 1.329 57.675 56.400 -0.088 0.000 0.801 366 E CB -0.305 29.411 29.700 0.027 0.000 0.750 366 E HN 0.085 nan 8.360 nan 0.000 0.452 367 V N 1.073 120.914 119.914 -0.122 0.000 2.343 367 V HA -0.234 3.887 4.120 0.001 0.000 0.247 367 V C 2.412 178.423 176.094 -0.139 0.000 1.051 367 V CA 2.133 64.377 62.300 -0.092 0.000 1.036 367 V CB -0.693 31.073 31.823 -0.095 0.000 0.654 367 V HN 0.351 nan 8.190 nan 0.000 0.451 368 T N 0.066 114.461 114.554 -0.264 0.000 2.674 368 T HA -0.194 4.156 4.350 0.001 0.000 0.265 368 T C 1.928 176.417 174.700 -0.353 0.000 1.039 368 T CA 1.935 63.849 62.100 -0.311 0.000 1.150 368 T CB -0.372 68.242 68.868 -0.424 0.000 0.864 368 T HN 0.430 nan 8.240 nan 0.000 0.427 369 V N 0.715 120.296 119.914 -0.555 0.000 2.970 369 V HA 0.066 4.186 4.120 0.001 0.000 0.260 369 V C 1.928 177.952 176.094 -0.116 0.000 1.100 369 V CA 1.431 63.489 62.300 -0.403 0.000 1.122 369 V CB -0.573 30.928 31.823 -0.536 0.000 0.721 369 V HN 0.372 nan 8.190 nan 0.000 0.483 370 K N -0.152 120.159 120.400 -0.149 0.000 2.366 370 K HA 0.005 4.326 4.320 0.001 0.000 0.198 370 K C 1.993 178.532 176.600 -0.101 0.000 1.044 370 K CA 1.441 57.620 56.287 -0.181 0.000 0.973 370 K CB -0.052 32.356 32.500 -0.153 0.000 0.767 370 K HN 0.537 nan 8.250 nan 0.000 0.475 371 T N 0.263 114.815 114.554 -0.004 0.000 3.009 371 T HA 0.023 4.373 4.350 0.001 0.000 0.258 371 T C 0.910 175.703 174.700 0.155 0.000 1.063 371 T CA 0.401 62.535 62.100 0.056 0.000 1.139 371 T CB 0.117 69.028 68.868 0.072 0.000 0.890 371 T HN 0.159 nan 8.240 nan 0.000 0.471 372 C N 1.820 121.207 119.300 0.145 0.000 2.365 372 C HA 0.929 5.390 4.460 0.001 0.000 0.349 372 C C 0.446 175.488 174.990 0.086 0.000 1.191 372 C CA -1.253 57.830 59.018 0.108 0.000 2.114 372 C CB 0.698 28.442 27.740 0.007 0.000 2.367 372 C HN 0.567 nan 8.230 nan 0.000 0.530 373 A N 1.093 123.949 122.820 0.061 0.000 2.549 373 A HA 0.770 5.090 4.320 0.001 0.000 0.297 373 A C -1.761 175.891 177.584 0.114 0.000 1.061 373 A CA -0.365 51.653 52.037 -0.030 0.000 0.690 373 A CB 1.190 20.167 19.000 -0.038 0.000 1.287 373 A HN 0.995 nan 8.150 nan 0.000 0.402 374 Y N 0.816 121.064 120.300 -0.087 0.000 2.391 374 Y HA 0.699 5.249 4.550 0.000 0.000 0.341 374 Y C -0.554 175.326 175.900 -0.034 0.000 0.965 374 Y CA -0.435 57.628 58.100 -0.061 0.000 1.067 374 Y CB 2.083 40.461 38.460 -0.136 0.000 1.199 374 Y HN 0.592 nan 8.280 nan 0.000 0.450 375 T N 6.598 120.982 114.554 -0.283 0.000 2.794 375 T HA 0.265 4.615 4.350 0.001 0.000 0.280 375 T C -0.953 173.277 174.700 -0.782 0.000 0.987 375 T CA -0.796 61.065 62.100 -0.399 0.000 0.993 375 T CB 0.524 69.350 68.868 -0.070 0.000 0.939 375 T HN 0.647 nan 8.240 nan 0.000 0.449 376 N N 1.335 119.605 118.700 -0.718 0.000 2.400 376 N HA 0.184 4.924 4.740 0.001 0.000 0.288 376 N C 0.055 175.430 175.510 -0.226 0.000 1.024 376 N CA -0.375 52.414 53.050 -0.434 0.000 0.894 376 N CB 0.939 39.322 38.487 -0.174 0.000 1.173 376 N HN 0.657 nan 8.380 nan 0.000 0.487 377 H N 1.316 120.399 119.070 0.022 0.000 2.986 377 H HA 0.225 4.782 4.556 0.000 0.000 0.267 377 H C -0.271 174.977 175.328 -0.133 0.000 1.072 377 H CA 0.257 56.282 56.048 -0.039 0.000 1.202 377 H CB 1.128 30.870 29.762 -0.033 0.000 1.535 377 H HN 0.477 nan 8.280 nan 0.000 0.522 378 T N -0.097 114.489 114.554 0.052 0.000 3.097 378 T HA 0.061 4.411 4.350 0.001 0.000 0.332 378 T C 0.948 175.685 174.700 0.062 0.000 1.269 378 T CA -0.506 61.570 62.100 -0.040 0.000 1.076 378 T CB 2.779 71.609 68.868 -0.063 0.000 1.209 378 T HN -0.207 nan 8.240 nan 0.000 0.474 379 V N 1.885 121.810 119.914 0.018 0.000 2.660 379 V HA -0.085 4.035 4.120 0.001 0.000 0.257 379 V C 1.019 177.085 176.094 -0.047 0.000 1.088 379 V CA 1.309 63.635 62.300 0.043 0.000 1.106 379 V CB -0.584 31.213 31.823 -0.043 0.000 0.686 379 V HN 0.687 nan 8.190 nan 0.000 0.481 380 I N 2.281 122.804 120.570 -0.077 0.000 2.741 380 I HA 0.053 4.223 4.170 0.001 0.000 0.288 380 I C -0.630 175.441 176.117 -0.075 0.000 1.192 380 I CA -1.359 59.897 61.300 -0.074 0.000 1.426 380 I CB -0.515 37.447 38.000 -0.063 0.000 1.367 380 I HN 0.176 nan 8.210 nan 0.000 0.563 381 P HA -0.089 nan 4.420 nan 0.000 0.222 381 P C 0.422 177.694 177.300 -0.046 0.000 1.153 381 P CA 1.202 64.249 63.100 -0.089 0.000 0.798 381 P CB 0.391 32.044 31.700 -0.079 0.000 0.796 382 E N -0.385 119.793 120.200 -0.037 0.000 2.548 382 E HA 0.448 4.798 4.350 0.001 0.000 0.206 382 E C 0.411 176.991 176.600 -0.033 0.000 1.005 382 E CA -0.272 56.111 56.400 -0.028 0.000 0.951 382 E CB 0.370 30.057 29.700 -0.021 0.000 1.035 382 E HN 0.091 nan 8.360 nan 0.000 0.470 383 A N 1.377 124.177 122.820 -0.034 0.000 3.082 383 A HA 0.548 4.868 4.320 0.001 0.000 0.328 383 A C -1.318 176.249 177.584 -0.027 0.000 1.089 383 A CA -0.496 51.518 52.037 -0.038 0.000 0.802 383 A CB 0.227 19.211 19.000 -0.027 0.000 1.138 383 A HN 0.134 nan 8.150 nan 0.000 0.474 384 L N 0.713 121.914 121.223 -0.036 0.000 2.409 384 L HA 0.469 4.809 4.340 0.001 0.000 0.272 384 L C -0.062 176.758 176.870 -0.084 0.000 0.980 384 L CA -0.168 54.667 54.840 -0.008 0.000 0.826 384 L CB 1.860 43.939 42.059 0.033 0.000 1.268 384 L HN 0.653 nan 8.230 nan 0.000 0.407 385 E N 4.000 124.129 120.200 -0.118 0.000 2.452 385 E HA 0.215 4.565 4.350 0.001 0.000 0.261 385 E C -0.636 175.785 176.600 -0.298 0.000 0.987 385 E CA 0.390 56.619 56.400 -0.284 0.000 0.926 385 E CB 0.571 30.084 29.700 -0.311 0.000 0.934 385 E HN 0.335 nan 8.360 nan 0.000 0.452 386 R N 2.890 123.124 120.500 -0.443 0.000 2.628 386 R HA 0.363 4.703 4.340 0.001 0.000 0.288 386 R C -1.301 174.733 176.300 -0.443 0.000 0.980 386 R CA -0.751 55.165 56.100 -0.308 0.000 0.891 386 R CB 1.404 31.584 30.300 -0.200 0.000 1.188 386 R HN 0.494 nan 8.270 nan 0.000 0.450 387 W N 3.103 124.368 121.300 -0.058 0.000 2.656 387 W HA 0.364 5.024 4.660 0.001 0.000 0.327 387 W C -2.144 174.308 176.519 -0.113 0.000 1.041 387 W CA -2.281 55.014 57.345 -0.083 0.000 1.229 387 W CB 1.747 31.155 29.460 -0.087 0.000 1.397 387 W HN 0.308 nan 8.180 nan 0.000 0.479 388 P HA -0.123 nan 4.420 nan 0.000 0.264 388 P C 0.799 178.031 177.300 -0.113 0.000 1.183 388 P CA 0.293 63.338 63.100 -0.092 0.000 0.763 388 P CB 0.734 32.198 31.700 -0.395 0.000 0.807 389 V N 2.456 122.365 119.914 -0.009 0.000 2.667 389 V HA -0.242 3.878 4.120 0.001 0.000 0.252 389 V C 1.818 177.926 176.094 0.023 0.000 1.065 389 V CA 2.063 64.376 62.300 0.021 0.000 1.083 389 V CB -1.897 29.996 31.823 0.118 0.000 0.692 389 V HN 0.656 nan 8.190 nan 0.000 0.468 390 H N -0.534 118.584 119.070 0.080 0.000 2.457 390 H HA 0.010 4.566 4.556 0.000 0.000 0.294 390 H C 2.025 177.387 175.328 0.057 0.000 1.064 390 H CA 1.838 57.928 56.048 0.069 0.000 1.330 390 H CB -0.637 29.167 29.762 0.070 0.000 1.395 390 H HN 0.429 nan 8.280 nan 0.000 0.541 391 L N -0.348 120.697 121.223 -0.297 0.000 2.005 391 L HA -0.136 4.204 4.340 0.001 0.000 0.207 391 L C 2.061 178.864 176.870 -0.111 0.000 1.072 391 L CA 0.841 55.597 54.840 -0.140 0.000 0.744 391 L CB -0.262 41.693 42.059 -0.174 0.000 0.895 391 L HN 0.305 nan 8.230 nan 0.000 0.433 392 L N 0.065 121.208 121.223 -0.134 0.000 2.042 392 L HA -0.263 4.077 4.340 0.001 0.000 0.210 392 L C 2.456 179.268 176.870 -0.096 0.000 1.076 392 L CA 1.677 56.426 54.840 -0.152 0.000 0.749 392 L CB -0.923 41.045 42.059 -0.151 0.000 0.893 392 L HN 0.318 nan 8.230 nan 0.000 0.432 393 E N -1.571 118.615 120.200 -0.022 0.000 2.160 393 E HA -0.197 4.153 4.350 0.001 0.000 0.195 393 E C 1.728 178.361 176.600 0.055 0.000 0.991 393 E CA 1.611 58.026 56.400 0.024 0.000 0.810 393 E CB 0.188 29.939 29.700 0.085 0.000 0.742 393 E HN 0.496 nan 8.360 nan 0.000 0.466 394 T N 0.899 115.500 114.554 0.079 0.000 2.814 394 T HA -0.033 4.318 4.350 0.001 0.000 0.254 394 T C 1.814 176.601 174.700 0.145 0.000 1.037 394 T CA 1.163 63.356 62.100 0.156 0.000 1.143 394 T CB -0.071 68.916 68.868 0.198 0.000 0.866 394 T HN 0.295 nan 8.240 nan 0.000 0.431 395 L N -1.557 119.626 121.223 -0.067 0.000 2.477 395 L HA 0.444 4.784 4.340 0.001 0.000 0.220 395 L C 0.390 177.190 176.870 -0.117 0.000 1.106 395 L CA 0.362 55.043 54.840 -0.265 0.000 0.851 395 L CB 0.005 41.724 42.059 -0.565 0.000 0.994 395 L HN 0.049 nan 8.230 nan 0.000 0.462 396 L N 2.062 123.176 121.223 -0.182 0.000 2.783 396 L HA 0.403 4.743 4.340 0.001 0.000 0.265 396 L C -1.535 175.141 176.870 -0.324 0.000 1.398 396 L CA -1.754 52.895 54.840 -0.318 0.000 0.802 396 L CB 0.728 42.513 42.059 -0.457 0.000 1.126 396 L HN -0.138 nan 8.230 nan 0.000 0.529 397 P HA -0.237 nan 4.420 nan 0.000 0.216 397 P C 1.489 178.569 177.300 -0.367 0.000 1.153 397 P CA 1.184 64.139 63.100 -0.241 0.000 0.858 397 P CB 0.501 32.142 31.700 -0.099 0.000 0.789 398 R N -0.555 119.527 120.500 -0.697 0.000 2.115 398 R HA -0.109 4.231 4.340 0.001 0.000 0.226 398 R C 2.556 178.520 176.300 -0.560 0.000 1.100 398 R CA 1.303 57.019 56.100 -0.639 0.000 0.980 398 R CB -1.182 28.590 30.300 -0.880 0.000 0.875 398 R HN 0.286 nan 8.270 nan 0.000 0.445 399 H N -0.059 118.727 119.070 -0.474 0.000 2.428 399 H HA -0.082 4.474 4.556 0.001 0.000 0.296 399 H C 1.775 176.937 175.328 -0.276 0.000 1.062 399 H CA 1.398 57.245 56.048 -0.335 0.000 1.350 399 H CB 0.044 29.582 29.762 -0.373 0.000 1.403 399 H HN 0.199 nan 8.280 nan 0.000 0.533 400 L N 1.211 122.309 121.223 -0.207 0.000 2.217 400 L HA -0.134 4.207 4.340 0.001 0.000 0.211 400 L C 1.825 178.483 176.870 -0.353 0.000 1.107 400 L CA 1.162 55.800 54.840 -0.336 0.000 0.783 400 L CB -0.252 41.642 42.059 -0.274 0.000 0.919 400 L HN 0.267 nan 8.230 nan 0.000 0.442 401 Q N 0.008 119.731 119.800 -0.128 0.000 2.016 401 Q HA -0.193 4.147 4.340 0.001 0.000 0.200 401 Q C 2.240 178.266 176.000 0.044 0.000 0.978 401 Q CA 1.874 57.703 55.803 0.043 0.000 0.833 401 Q CB -0.044 28.712 28.738 0.029 0.000 0.895 401 Q HN 0.531 nan 8.270 nan 0.000 0.427 402 I N 0.534 121.091 120.570 -0.022 0.000 2.226 402 I HA -0.284 3.886 4.170 0.001 0.000 0.245 402 I C 2.202 178.360 176.117 0.068 0.000 1.100 402 I CA 1.099 62.435 61.300 0.061 0.000 1.374 402 I CB -0.272 37.722 38.000 -0.011 0.000 1.057 402 I HN 0.220 nan 8.210 nan 0.000 0.413 403 I N -0.265 120.287 120.570 -0.028 0.000 2.286 403 I HA -0.317 3.854 4.170 0.001 0.000 0.248 403 I C 2.413 178.535 176.117 0.010 0.000 1.115 403 I CA 1.516 62.790 61.300 -0.044 0.000 1.392 403 I CB -0.347 37.559 38.000 -0.157 0.000 1.065 403 I HN 0.163 nan 8.210 nan 0.000 0.418 404 Y N 0.564 120.880 120.300 0.026 0.000 2.242 404 Y HA -0.236 4.315 4.550 0.000 0.000 0.291 404 Y C 2.562 178.446 175.900 -0.028 0.000 1.137 404 Y CA 1.356 59.460 58.100 0.007 0.000 1.181 404 Y CB -0.693 37.764 38.460 -0.005 0.000 0.989 404 Y HN 0.198 nan 8.280 nan 0.000 0.527 405 E N 0.437 120.703 120.200 0.111 0.000 2.107 405 E HA -0.111 4.239 4.350 0.001 0.000 0.191 405 E C 2.010 178.535 176.600 -0.124 0.000 0.982 405 E CA 1.069 57.417 56.400 -0.087 0.000 0.809 405 E CB -0.482 29.130 29.700 -0.147 0.000 0.756 405 E HN 0.449 nan 8.360 nan 0.000 0.459 406 I N 0.785 121.382 120.570 0.045 0.000 2.163 406 I HA -0.297 3.873 4.170 0.001 0.000 0.243 406 I C 2.313 178.448 176.117 0.030 0.000 1.085 406 I CA 1.457 62.739 61.300 -0.031 0.000 1.347 406 I CB -0.442 37.552 38.000 -0.010 0.000 1.044 406 I HN 0.234 nan 8.210 nan 0.000 0.408 407 N N 0.667 119.432 118.700 0.110 0.000 2.058 407 N HA -0.251 4.489 4.740 0.001 0.000 0.191 407 N C 1.852 177.462 175.510 0.168 0.000 1.037 407 N CA 1.554 54.726 53.050 0.204 0.000 0.848 407 N CB -0.213 38.408 38.487 0.225 0.000 1.021 407 N HN 0.265 nan 8.380 nan 0.000 0.422 408 Q N 0.281 120.121 119.800 0.067 0.000 1.967 408 Q HA -0.245 4.096 4.340 0.001 0.000 0.210 408 Q C 2.103 178.079 176.000 -0.040 0.000 1.005 408 Q CA 2.031 57.827 55.803 -0.013 0.000 0.862 408 Q CB -0.158 28.528 28.738 -0.086 0.000 0.939 408 Q HN 0.410 nan 8.270 nan 0.000 0.417 409 R N -0.619 119.809 120.500 -0.119 0.000 2.091 409 R HA -0.174 4.166 4.340 0.001 0.000 0.238 409 R C 2.267 178.577 176.300 0.015 0.000 1.136 409 R CA 1.498 57.524 56.100 -0.124 0.000 0.959 409 R CB -0.576 29.554 30.300 -0.283 0.000 0.856 409 R HN 0.336 nan 8.270 nan 0.000 0.437 410 F N 1.554 121.474 119.950 -0.050 0.000 2.126 410 F HA -0.152 4.376 4.527 0.000 0.000 0.299 410 F C 1.762 177.592 175.800 0.049 0.000 1.096 410 F CA 1.438 59.468 58.000 0.051 0.000 1.255 410 F CB -0.215 38.850 39.000 0.109 0.000 0.997 410 F HN -0.094 nan 8.300 nan 0.000 0.479 411 L N -0.013 121.165 121.223 -0.076 0.000 2.465 411 L HA -0.131 4.209 4.340 0.001 0.000 0.224 411 L C 1.821 178.607 176.870 -0.140 0.000 1.145 411 L CA 0.945 55.678 54.840 -0.179 0.000 0.834 411 L CB -0.780 41.258 42.059 -0.035 0.000 0.944 411 L HN 0.250 nan 8.230 nan 0.000 0.451 412 N N -0.242 118.399 118.700 -0.099 0.000 2.216 412 N HA -0.107 4.634 4.740 0.001 0.000 0.183 412 N C 1.856 177.314 175.510 -0.088 0.000 1.017 412 N CA 0.522 53.524 53.050 -0.080 0.000 0.861 412 N CB 0.066 38.514 38.487 -0.064 0.000 0.986 412 N HN 0.267 nan 8.380 nan 0.000 0.428 413 R N 0.717 121.154 120.500 -0.105 0.000 2.070 413 R HA -0.076 4.264 4.340 0.001 0.000 0.233 413 R C 2.208 178.436 176.300 -0.120 0.000 1.137 413 R CA 1.139 57.189 56.100 -0.084 0.000 0.945 413 R CB -0.604 29.668 30.300 -0.046 0.000 0.845 413 R HN 0.081 nan 8.270 nan 0.000 0.430 414 V N 1.124 120.903 119.914 -0.224 0.000 2.343 414 V HA -0.256 3.864 4.120 0.001 0.000 0.247 414 V C 2.485 178.579 176.094 0.001 0.000 1.051 414 V CA 1.949 64.186 62.300 -0.105 0.000 1.036 414 V CB -0.789 30.847 31.823 -0.312 0.000 0.654 414 V HN 0.433 nan 8.190 nan 0.000 0.451 415 A N 0.108 122.895 122.820 -0.056 0.000 1.908 415 A HA -0.170 4.151 4.320 0.001 0.000 0.218 415 A C 2.417 179.979 177.584 -0.035 0.000 1.181 415 A CA 2.252 54.273 52.037 -0.027 0.000 0.627 415 A CB -0.813 18.160 19.000 -0.045 0.000 0.818 415 A HN 0.595 nan 8.150 nan 0.000 0.445 416 A N -0.715 122.069 122.820 -0.060 0.000 1.969 416 A HA 0.248 4.569 4.320 0.001 0.000 0.218 416 A C 2.308 179.817 177.584 -0.126 0.000 1.169 416 A CA 1.911 53.903 52.037 -0.075 0.000 0.635 416 A CB -0.625 18.337 19.000 -0.064 0.000 0.810 416 A HN 1.065 nan 8.150 nan 0.000 0.445 417 A N -2.302 120.409 122.820 -0.181 0.000 2.147 417 A HA 0.487 4.807 4.320 0.001 0.000 0.211 417 A C 0.296 177.426 177.584 -0.756 0.000 1.160 417 A CA 0.244 52.026 52.037 -0.425 0.000 0.781 417 A CB 0.026 18.746 19.000 -0.468 0.000 0.842 417 A HN 0.375 nan 8.150 nan 0.000 0.475 418 F N 0.135 120.040 119.950 -0.074 0.000 2.646 418 F HA 0.334 4.861 4.527 0.001 0.000 0.336 418 F C -2.887 172.876 175.800 -0.062 0.000 1.437 418 F CA -2.713 55.246 58.000 -0.068 0.000 1.142 418 F CB 1.035 39.983 39.000 -0.085 0.000 1.530 418 F HN -0.059 nan 8.300 nan 0.000 0.591 419 P HA 0.300 nan 4.420 nan 0.000 0.271 419 P C 0.961 178.273 177.300 0.020 0.000 1.220 419 P CA 0.690 63.790 63.100 -0.000 0.000 0.768 419 P CB 1.183 32.865 31.700 -0.030 0.000 0.848 420 G N 2.632 111.441 108.800 0.015 0.000 2.253 420 G HA2 -0.240 3.721 3.960 0.001 0.000 0.251 420 G HA3 -0.240 3.721 3.960 0.001 0.000 0.251 420 G C 0.294 175.205 174.900 0.019 0.000 0.998 420 G CA -0.004 45.103 45.100 0.012 0.000 0.621 420 G HN 0.614 nan 8.290 nan 0.000 0.524 421 D N 1.621 122.046 120.400 0.041 0.000 2.416 421 D HA 0.421 5.061 4.640 0.001 0.000 0.240 421 D C 1.858 178.155 176.300 -0.005 0.000 1.250 421 D CA 0.408 54.420 54.000 0.021 0.000 0.967 421 D CB 0.616 41.438 40.800 0.036 0.000 1.059 421 D HN 0.284 nan 8.370 nan 0.000 0.512 422 V N 2.093 122.002 119.914 -0.009 0.000 2.667 422 V HA -0.111 4.009 4.120 0.001 0.000 0.252 422 V C 1.942 178.024 176.094 -0.021 0.000 1.065 422 V CA 1.020 63.311 62.300 -0.014 0.000 1.083 422 V CB -0.376 31.442 31.823 -0.009 0.000 0.692 422 V HN 0.379 nan 8.190 nan 0.000 0.468 423 D N 0.913 121.298 120.400 -0.026 0.000 2.194 423 D HA -0.163 4.477 4.640 0.001 0.000 0.204 423 D C 2.327 178.597 176.300 -0.049 0.000 0.964 423 D CA 1.256 55.240 54.000 -0.027 0.000 0.846 423 D CB -0.086 40.700 40.800 -0.024 0.000 0.962 423 D HN 0.513 nan 8.370 nan 0.000 0.490 424 R N 0.241 120.689 120.500 -0.087 0.000 2.090 424 R HA -0.031 4.310 4.340 0.001 0.000 0.228 424 R C 2.241 178.461 176.300 -0.133 0.000 1.110 424 R CA 0.801 56.810 56.100 -0.151 0.000 0.973 424 R CB -0.580 29.567 30.300 -0.255 0.000 0.869 424 R HN 0.205 nan 8.270 nan 0.000 0.440 425 L N 1.137 122.306 121.223 -0.089 0.000 2.042 425 L HA -0.169 4.171 4.340 0.001 0.000 0.210 425 L C 2.618 179.483 176.870 -0.009 0.000 1.076 425 L CA 1.747 56.550 54.840 -0.062 0.000 0.749 425 L CB -0.426 41.611 42.059 -0.037 0.000 0.893 425 L HN 0.319 nan 8.230 nan 0.000 0.432 426 R N 0.087 120.590 120.500 0.005 0.000 2.200 426 R HA -0.049 4.292 4.340 0.001 0.000 0.208 426 R C 1.918 178.261 176.300 0.071 0.000 1.033 426 R CA 0.743 56.871 56.100 0.045 0.000 1.000 426 R CB -0.782 29.541 30.300 0.039 0.000 0.906 426 R HN 0.213 nan 8.270 nan 0.000 0.462 427 R N 0.174 120.696 120.500 0.037 0.000 2.189 427 R HA 0.167 4.507 4.340 0.001 0.000 0.218 427 R C 1.704 178.077 176.300 0.121 0.000 1.074 427 R CA 1.446 57.592 56.100 0.076 0.000 0.991 427 R CB -0.204 30.105 30.300 0.014 0.000 0.883 427 R HN 0.308 nan 8.270 nan 0.000 0.457 428 M N -0.157 119.442 119.600 -0.002 0.000 2.492 428 M HA 0.062 4.543 4.480 0.001 0.000 0.255 428 M C 0.888 177.381 176.300 0.321 0.000 1.139 428 M CA -0.012 55.219 55.300 -0.116 0.000 1.096 428 M CB 0.516 32.853 32.600 -0.439 0.000 1.360 428 M HN -0.098 nan 8.290 nan 0.000 0.480 429 S N 1.036 116.932 115.700 0.326 0.000 2.563 429 S HA 0.071 4.541 4.470 0.001 0.000 0.284 429 S C 1.128 176.039 174.600 0.518 0.000 1.331 429 S CA -0.228 58.202 58.200 0.383 0.000 1.047 429 S CB 0.584 63.927 63.200 0.238 0.000 0.859 429 S HN 0.347 nan 8.310 nan 0.000 0.514 430 L N 4.010 125.474 121.223 0.402 0.000 2.240 430 L HA 0.110 4.450 4.340 0.001 0.000 0.211 430 L C 0.407 177.389 176.870 0.187 0.000 1.106 430 L CA 0.293 55.301 54.840 0.279 0.000 0.793 430 L CB -0.393 41.778 42.059 0.186 0.000 0.927 430 L HN 0.386 nan 8.230 nan 0.000 0.446 431 V N 1.044 121.084 119.914 0.209 0.000 2.406 431 V HA 0.149 4.269 4.120 0.001 0.000 0.272 431 V C 0.078 176.260 176.094 0.147 0.000 1.043 431 V CA -0.473 61.937 62.300 0.183 0.000 0.915 431 V CB 1.118 33.083 31.823 0.236 0.000 0.988 431 V HN 0.181 nan 8.190 nan 0.000 0.466 432 E N 3.984 124.249 120.200 0.108 0.000 2.191 432 E HA 0.427 4.778 4.350 0.001 0.000 0.278 432 E C -0.720 175.927 176.600 0.079 0.000 0.972 432 E CA -0.649 55.802 56.400 0.085 0.000 0.804 432 E CB 1.628 31.358 29.700 0.050 0.000 1.110 432 E HN 0.631 nan 8.360 nan 0.000 0.394 433 E N 1.221 121.463 120.200 0.069 0.000 2.212 433 E HA 0.662 5.012 4.350 0.001 0.000 0.270 433 E C 0.091 176.721 176.600 0.049 0.000 0.956 433 E CA -0.794 55.642 56.400 0.060 0.000 0.825 433 E CB 2.177 31.908 29.700 0.051 0.000 1.167 433 E HN 0.722 nan 8.360 nan 0.000 0.400 434 G N 0.049 108.877 108.800 0.046 0.000 2.441 434 G HA2 0.383 4.343 3.960 0.001 0.000 0.225 434 G HA3 0.383 4.343 3.960 0.001 0.000 0.225 434 G C -1.469 173.454 174.900 0.039 0.000 1.200 434 G CA -0.202 44.921 45.100 0.038 0.000 0.947 434 G HN 0.491 nan 8.290 nan 0.000 0.484 435 A N -0.056 122.786 122.820 0.036 0.000 2.544 435 A HA 0.692 5.012 4.320 0.001 0.000 0.301 435 A C 0.534 178.150 177.584 0.054 0.000 1.368 435 A CA 0.615 52.674 52.037 0.037 0.000 1.045 435 A CB -0.649 18.369 19.000 0.030 0.000 1.129 435 A HN 2.277 nan 8.150 nan 0.000 0.540 436 V N 1.842 121.797 119.914 0.069 0.000 3.322 436 V HA -0.152 3.968 4.120 0.001 0.000 0.477 436 V C 0.309 176.460 176.094 0.094 0.000 0.682 436 V CA 0.469 62.832 62.300 0.105 0.000 2.020 436 V CB -0.412 31.495 31.823 0.140 0.000 2.473 436 V HN 1.049 nan 8.190 nan 0.000 0.500 437 K N 6.036 126.504 120.400 0.113 0.000 2.298 437 K HA 0.593 4.913 4.320 0.001 0.000 0.280 437 K C 0.048 176.709 176.600 0.103 0.000 1.032 437 K CA -0.527 55.826 56.287 0.109 0.000 0.958 437 K CB 0.750 33.327 32.500 0.128 0.000 0.978 437 K HN 0.617 nan 8.250 nan 0.000 0.472 438 R N 2.805 123.354 120.500 0.082 0.000 2.771 438 R HA 0.449 4.789 4.340 0.001 0.000 0.274 438 R C -0.797 175.536 176.300 0.055 0.000 0.987 438 R CA -1.017 55.117 56.100 0.055 0.000 0.908 438 R CB 1.330 31.640 30.300 0.017 0.000 1.213 438 R HN 0.423 nan 8.270 nan 0.000 0.468 439 I N 2.195 122.794 120.570 0.049 0.000 2.336 439 I HA 0.132 4.302 4.170 0.001 0.000 0.292 439 I C -0.036 176.077 176.117 -0.007 0.000 0.991 439 I CA -0.645 60.676 61.300 0.036 0.000 1.227 439 I CB 1.216 39.237 38.000 0.035 0.000 1.366 439 I HN 0.494 nan 8.210 nan 0.000 0.466 440 N N 7.364 126.026 118.700 -0.063 0.000 2.521 440 N HA 0.079 4.819 4.740 0.001 0.000 0.236 440 N C 0.828 176.255 175.510 -0.138 0.000 1.067 440 N CA -0.377 52.568 53.050 -0.176 0.000 0.939 440 N CB 0.835 39.066 38.487 -0.427 0.000 1.201 440 N HN 0.362 nan 8.380 nan 0.000 0.511 441 M N 2.144 121.695 119.600 -0.082 0.000 2.267 441 M HA -0.117 4.363 4.480 0.001 0.000 0.263 441 M C 1.788 178.008 176.300 -0.133 0.000 1.063 441 M CA 0.891 56.162 55.300 -0.049 0.000 1.090 441 M CB -1.484 31.131 32.600 0.024 0.000 1.392 441 M HN 0.620 nan 8.290 nan 0.000 0.422 442 A N -1.293 121.450 122.820 -0.128 0.000 2.016 442 A HA -0.117 4.203 4.320 0.001 0.000 0.217 442 A C 1.919 179.346 177.584 -0.261 0.000 1.162 442 A CA 0.959 52.878 52.037 -0.198 0.000 0.662 442 A CB -0.985 18.093 19.000 0.130 0.000 0.812 442 A HN 0.591 nan 8.150 nan 0.000 0.450 443 H N -0.921 117.992 119.070 -0.262 0.000 2.421 443 H HA -0.016 4.540 4.556 0.000 0.000 0.298 443 H C 2.038 177.154 175.328 -0.354 0.000 1.087 443 H CA 0.899 56.740 56.048 -0.346 0.000 1.330 443 H CB 0.011 29.782 29.762 0.015 0.000 1.388 443 H HN 0.356 nan 8.280 nan 0.000 0.526 444 L N 0.101 121.255 121.223 -0.116 0.000 1.994 444 L HA -0.240 4.101 4.340 0.001 0.000 0.208 444 L C 2.454 179.187 176.870 -0.228 0.000 1.071 444 L CA 1.185 55.950 54.840 -0.126 0.000 0.745 444 L CB -0.334 41.685 42.059 -0.068 0.000 0.892 444 L HN 0.451 nan 8.230 nan 0.000 0.431 445 C N -0.023 119.036 119.300 -0.401 0.000 2.413 445 C HA -0.203 4.257 4.460 0.001 0.000 0.276 445 C C 2.663 177.321 174.990 -0.554 0.000 1.248 445 C CA 0.723 59.381 59.018 -0.600 0.000 1.742 445 C CB -0.747 26.209 27.740 -1.307 0.000 2.017 445 C HN 0.476 nan 8.230 nan 0.000 0.481 446 I N 1.229 121.425 120.570 -0.623 0.000 2.202 446 I HA -0.167 4.003 4.170 0.001 0.000 0.242 446 I C 2.718 178.665 176.117 -0.282 0.000 1.091 446 I CA 1.580 62.589 61.300 -0.485 0.000 1.368 446 I CB -0.587 36.967 38.000 -0.742 0.000 1.058 446 I HN 0.251 nan 8.210 nan 0.000 0.410 447 A N 0.417 123.052 122.820 -0.309 0.000 2.070 447 A HA -0.052 4.268 4.320 0.001 0.000 0.220 447 A C 2.034 179.674 177.584 0.094 0.000 1.159 447 A CA 1.764 53.664 52.037 -0.229 0.000 0.656 447 A CB -0.829 17.859 19.000 -0.519 0.000 0.800 447 A HN 0.504 nan 8.150 nan 0.000 0.453 448 G N -1.374 107.409 108.800 -0.029 0.000 3.735 448 G HA2 0.439 4.399 3.960 0.001 0.000 0.283 448 G HA3 0.439 4.399 3.960 0.001 0.000 0.283 448 G C -0.046 174.719 174.900 -0.225 0.000 1.007 448 G CA 0.294 45.297 45.100 -0.163 0.000 0.821 448 G HN 0.271 nan 8.290 nan 0.000 0.505 449 S N -0.610 114.999 115.700 -0.152 0.000 2.578 449 S HA 0.369 4.840 4.470 0.001 0.000 0.301 449 S C 0.761 175.327 174.600 -0.058 0.000 1.091 449 S CA -0.580 57.553 58.200 -0.112 0.000 1.032 449 S CB 1.272 64.399 63.200 -0.122 0.000 1.064 449 S HN 0.599 nan 8.310 nan 0.000 0.508 450 H N -0.344 118.692 119.070 -0.057 0.000 2.551 450 H HA 0.678 5.234 4.556 0.001 0.000 0.266 450 H C 0.207 175.521 175.328 -0.023 0.000 0.964 450 H CA 0.371 56.410 56.048 -0.016 0.000 1.180 450 H CB 0.252 30.021 29.762 0.012 0.000 1.408 450 H HN 0.500 nan 8.280 nan 0.000 0.563 451 A N 0.730 123.309 122.820 -0.402 0.000 2.486 451 A HA 0.619 4.940 4.320 0.001 0.000 0.300 451 A C -1.537 175.850 177.584 -0.329 0.000 1.048 451 A CA -0.692 51.136 52.037 -0.348 0.000 0.696 451 A CB 1.913 20.678 19.000 -0.391 0.000 1.278 451 A HN 0.134 nan 8.150 nan 0.000 0.405 452 V N 3.802 123.467 119.914 -0.415 0.000 2.638 452 V HA 0.569 4.689 4.120 0.001 0.000 0.306 452 V C -0.837 175.059 176.094 -0.330 0.000 1.052 452 V CA -0.762 61.301 62.300 -0.395 0.000 0.885 452 V CB 1.880 33.281 31.823 -0.704 0.000 0.999 452 V HN 1.044 nan 8.190 nan 0.000 0.424 453 N N 2.935 121.486 118.700 -0.248 0.000 2.284 453 N HA 0.608 5.348 4.740 0.001 0.000 0.289 453 N C -0.246 175.171 175.510 -0.156 0.000 1.179 453 N CA -0.344 52.597 53.050 -0.181 0.000 0.774 453 N CB 2.736 41.100 38.487 -0.205 0.000 1.548 453 N HN 0.641 nan 8.380 nan 0.000 0.473 454 G N -0.693 108.055 108.800 -0.086 0.000 2.532 454 G HA2 0.438 4.398 3.960 0.001 0.000 0.291 454 G HA3 0.438 4.398 3.960 0.001 0.000 0.291 454 G C -0.245 174.708 174.900 0.090 0.000 1.349 454 G CA -0.511 44.603 45.100 0.024 0.000 1.038 454 G HN 0.371 nan 8.290 nan 0.000 0.518 455 V N -0.286 119.789 119.914 0.269 0.000 3.252 455 V HA 0.619 4.739 4.120 0.001 0.000 0.320 455 V C 0.450 176.621 176.094 0.128 0.000 1.459 455 V CA 0.853 63.235 62.300 0.137 0.000 1.095 455 V CB -0.174 31.657 31.823 0.015 0.000 0.997 455 V HN 1.241 nan 8.190 nan 0.000 0.469 456 A N -0.605 122.300 122.820 0.141 0.000 2.586 456 A HA 0.501 4.821 4.320 0.001 0.000 0.296 456 A C 0.414 178.054 177.584 0.093 0.000 1.040 456 A CA -0.206 51.897 52.037 0.110 0.000 0.701 456 A CB 0.741 19.796 19.000 0.091 0.000 1.277 456 A HN 0.012 nan 8.150 nan 0.000 0.413 457 R N 0.702 121.236 120.500 0.057 0.000 2.091 457 R HA -0.180 4.161 4.340 0.001 0.000 0.238 457 R C 1.910 178.218 176.300 0.013 0.000 1.136 457 R CA 2.457 58.571 56.100 0.022 0.000 0.959 457 R CB -0.530 29.777 30.300 0.011 0.000 0.856 457 R HN 0.896 nan 8.270 nan 0.000 0.437 458 I N -2.345 118.240 120.570 0.025 0.000 2.315 458 I HA -0.179 3.991 4.170 0.001 0.000 0.248 458 I C 2.322 178.460 176.117 0.035 0.000 1.117 458 I CA 1.796 63.103 61.300 0.011 0.000 1.404 458 I CB -0.703 37.300 38.000 0.005 0.000 1.071 458 I HN 0.152 nan 8.210 nan 0.000 0.419 459 H N 1.629 120.678 119.070 -0.034 0.000 2.293 459 H HA -0.109 4.447 4.556 0.000 0.000 0.300 459 H C 2.250 177.554 175.328 -0.040 0.000 1.082 459 H CA 2.291 58.315 56.048 -0.040 0.000 1.308 459 H CB -0.349 29.394 29.762 -0.032 0.000 1.375 459 H HN 0.324 nan 8.280 nan 0.000 0.495 460 S N 0.157 115.788 115.700 -0.116 0.000 2.399 460 S HA -0.127 4.344 4.470 0.001 0.000 0.231 460 S C 1.957 176.460 174.600 -0.162 0.000 1.022 460 S CA 1.066 59.156 58.200 -0.182 0.000 0.983 460 S CB -0.097 63.059 63.200 -0.073 0.000 0.803 460 S HN 0.450 nan 8.310 nan 0.000 0.480 461 E N 1.413 121.538 120.200 -0.124 0.000 2.051 461 E HA -0.098 4.252 4.350 0.001 0.000 0.192 461 E C 2.056 178.555 176.600 -0.169 0.000 0.991 461 E CA 0.916 57.230 56.400 -0.143 0.000 0.799 461 E CB -0.431 29.211 29.700 -0.097 0.000 0.748 461 E HN 0.703 nan 8.360 nan 0.000 0.449 462 I N -0.863 119.621 120.570 -0.144 0.000 2.916 462 I HA -0.157 4.014 4.170 0.001 0.000 0.267 462 I C 1.892 177.888 176.117 -0.201 0.000 1.263 462 I CA 0.634 61.845 61.300 -0.148 0.000 1.471 462 I CB -0.096 37.843 38.000 -0.100 0.000 1.089 462 I HN -0.010 nan 8.210 nan 0.000 0.468 463 L N 0.987 122.067 121.223 -0.239 0.000 2.027 463 L HA -0.132 4.208 4.340 0.001 0.000 0.206 463 L C 2.654 179.439 176.870 -0.141 0.000 1.074 463 L CA 1.521 56.244 54.840 -0.194 0.000 0.745 463 L CB -0.601 41.447 42.059 -0.019 0.000 0.898 463 L HN 0.207 nan 8.230 nan 0.000 0.433 464 K N 0.244 120.492 120.400 -0.253 0.000 2.097 464 K HA -0.183 4.137 4.320 0.001 0.000 0.206 464 K C 2.097 178.480 176.600 -0.362 0.000 1.049 464 K CA 1.389 57.349 56.287 -0.545 0.000 0.933 464 K CB -0.010 31.959 32.500 -0.886 0.000 0.717 464 K HN 0.284 nan 8.250 nan 0.000 0.442 465 K N -0.326 119.929 120.400 -0.242 0.000 2.166 465 K HA -0.031 4.289 4.320 0.001 0.000 0.201 465 K C 2.047 178.588 176.600 -0.097 0.000 1.052 465 K CA 1.501 57.700 56.287 -0.146 0.000 0.969 465 K CB 0.305 32.733 32.500 -0.120 0.000 0.761 465 K HN 0.292 nan 8.250 nan 0.000 0.459 466 T N -1.303 113.183 114.554 -0.114 0.000 3.330 466 T HA 0.114 4.464 4.350 0.001 0.000 0.185 466 T C 1.814 176.448 174.700 -0.110 0.000 0.874 466 T CA -0.287 61.755 62.100 -0.096 0.000 1.268 466 T CB -0.689 68.117 68.868 -0.102 0.000 1.866 466 T HN -0.102 nan 8.240 nan 0.000 0.395 467 I N 1.022 121.462 120.570 -0.217 0.000 2.147 467 I HA -0.152 4.019 4.170 0.001 0.000 0.245 467 I C 1.322 177.293 176.117 -0.243 0.000 1.059 467 I CA 1.876 62.955 61.300 -0.368 0.000 1.320 467 I CB -0.457 37.100 38.000 -0.739 0.000 1.021 467 I HN 0.293 nan 8.210 nan 0.000 0.415 468 F N 0.555 120.555 119.950 0.083 0.000 2.764 468 F HA 0.197 4.724 4.527 0.001 0.000 0.310 468 F C 1.704 177.554 175.800 0.083 0.000 1.124 468 F CA -0.947 57.150 58.000 0.163 0.000 1.252 468 F CB -0.623 38.486 39.000 0.182 0.000 1.010 468 F HN 0.039 nan 8.300 nan 0.000 0.518 469 K N -0.664 119.812 120.400 0.127 0.000 2.209 469 K HA -0.145 4.176 4.320 0.001 0.000 0.204 469 K C 0.863 177.501 176.600 0.064 0.000 1.048 469 K CA 1.757 58.093 56.287 0.081 0.000 0.940 469 K CB -0.109 32.407 32.500 0.027 0.000 0.729 469 K HN 0.039 nan 8.250 nan 0.000 0.451 470 D N 0.724 121.140 120.400 0.028 0.000 2.117 470 D HA -0.090 4.550 4.640 0.001 0.000 0.198 470 D C 1.724 177.910 176.300 -0.190 0.000 0.982 470 D CA 1.072 54.961 54.000 -0.187 0.000 0.828 470 D CB -0.196 40.406 40.800 -0.330 0.000 0.967 470 D HN 0.237 nan 8.370 nan 0.000 0.464 471 F N -0.143 119.823 119.950 0.026 0.000 2.206 471 F HA -0.132 4.396 4.527 0.000 0.000 0.298 471 F C 2.303 178.107 175.800 0.006 0.000 1.090 471 F CA 0.487 58.556 58.000 0.116 0.000 1.323 471 F CB -0.595 38.543 39.000 0.231 0.000 1.028 471 F HN -0.033 nan 8.300 nan 0.000 0.492 472 Y N 1.354 121.507 120.300 -0.245 0.000 2.224 472 Y HA -0.193 4.357 4.550 0.000 0.000 0.289 472 Y C 2.060 177.870 175.900 -0.149 0.000 1.146 472 Y CA 1.683 59.451 58.100 -0.555 0.000 1.182 472 Y CB -0.562 37.507 38.460 -0.651 0.000 0.983 472 Y HN 0.139 nan 8.280 nan 0.000 0.524 473 E N -0.154 119.926 120.200 -0.201 0.000 2.208 473 E HA -0.146 4.204 4.350 0.001 0.000 0.193 473 E C 2.239 178.882 176.600 0.071 0.000 0.988 473 E CA 0.852 57.167 56.400 -0.141 0.000 0.828 473 E CB -0.128 29.515 29.700 -0.095 0.000 0.763 473 E HN 0.472 nan 8.360 nan 0.000 0.478 474 L N 0.603 121.888 121.223 0.104 0.000 2.044 474 L HA -0.091 4.249 4.340 0.001 0.000 0.205 474 L C 0.099 177.057 176.870 0.146 0.000 1.075 474 L CA 1.268 56.264 54.840 0.260 0.000 0.747 474 L CB 0.273 42.476 42.059 0.241 0.000 0.903 474 L HN 0.030 nan 8.230 nan 0.000 0.435 475 E N -1.357 118.888 120.200 0.076 0.000 2.914 475 E HA 0.160 4.510 4.350 0.001 0.000 0.246 475 E C -2.087 174.432 176.600 -0.136 0.000 1.146 475 E CA -1.321 55.013 56.400 -0.110 0.000 0.803 475 E CB 1.301 30.896 29.700 -0.174 0.000 1.409 475 E HN 0.085 nan 8.360 nan 0.000 0.392 476 P HA -0.229 nan 4.420 nan 0.000 0.217 476 P C 1.198 178.619 177.300 0.203 0.000 1.151 476 P CA 1.093 64.041 63.100 -0.253 0.000 0.828 476 P CB -0.014 31.422 31.700 -0.439 0.000 0.788 477 H N 0.311 119.489 119.070 0.179 0.000 2.460 477 H HA -0.079 4.477 4.556 0.001 0.000 0.297 477 H C 1.325 176.755 175.328 0.170 0.000 1.103 477 H CA 1.160 57.305 56.048 0.160 0.000 1.292 477 H CB -0.810 29.016 29.762 0.107 0.000 1.376 477 H HN 0.157 nan 8.280 nan 0.000 0.531 478 K N 0.286 120.661 120.400 -0.042 0.000 2.217 478 K HA 0.002 4.322 4.320 0.001 0.000 0.202 478 K C -0.079 176.373 176.600 -0.246 0.000 1.051 478 K CA 0.274 56.471 56.287 -0.149 0.000 0.952 478 K CB 0.032 32.315 32.500 -0.362 0.000 0.736 478 K HN 0.123 nan 8.250 nan 0.000 0.453 479 F N 1.728 121.724 119.950 0.076 0.000 2.420 479 F HA 0.185 4.712 4.527 0.001 0.000 0.352 479 F C 0.549 176.375 175.800 0.043 0.000 1.108 479 F CA -0.128 57.926 58.000 0.089 0.000 1.162 479 F CB 1.001 40.137 39.000 0.228 0.000 1.118 479 F HN -0.109 nan 8.300 nan 0.000 0.510 480 Q N 1.755 121.578 119.800 0.039 0.000 2.605 480 Q HA 0.394 4.734 4.340 0.001 0.000 0.296 480 Q C -1.240 174.726 176.000 -0.058 0.000 1.056 480 Q CA -1.294 54.493 55.803 -0.027 0.000 0.778 480 Q CB 3.241 31.909 28.738 -0.117 0.000 1.497 480 Q HN 0.633 nan 8.270 nan 0.000 0.443 481 N N 0.450 119.097 118.700 -0.089 0.000 2.225 481 N HA 0.286 5.026 4.740 0.001 0.000 0.298 481 N C -1.541 173.874 175.510 -0.157 0.000 1.076 481 N CA -0.423 52.574 53.050 -0.088 0.000 0.792 481 N CB 1.297 39.755 38.487 -0.048 0.000 1.498 481 N HN 0.301 nan 8.380 nan 0.000 0.474 482 K N 2.713 123.020 120.400 -0.155 0.000 2.756 482 K HA 0.185 4.505 4.320 0.001 0.000 0.218 482 K C -0.920 175.675 176.600 -0.008 0.000 1.057 482 K CA -0.467 55.695 56.287 -0.209 0.000 1.056 482 K CB 1.219 33.363 32.500 -0.593 0.000 1.235 482 K HN 0.565 nan 8.250 nan 0.000 0.547 483 T N 2.413 116.986 114.554 0.032 0.000 2.934 483 T HA 0.040 4.390 4.350 0.001 0.000 0.306 483 T C 0.810 175.631 174.700 0.201 0.000 1.042 483 T CA 0.145 62.316 62.100 0.119 0.000 1.145 483 T CB 0.221 69.156 68.868 0.112 0.000 0.982 483 T HN 0.257 nan 8.240 nan 0.000 0.544 484 N N 1.054 119.905 118.700 0.252 0.000 2.297 484 N HA 0.445 5.186 4.740 0.001 0.000 0.232 484 N C 0.501 176.210 175.510 0.332 0.000 1.311 484 N CA 0.177 53.428 53.050 0.335 0.000 0.897 484 N CB 0.421 39.055 38.487 0.246 0.000 1.137 484 N HN 0.876 nan 8.380 nan 0.000 0.449 485 G N -0.973 108.049 108.800 0.371 0.000 2.660 485 G HA2 0.604 4.564 3.960 0.001 0.000 0.290 485 G HA3 0.604 4.564 3.960 0.001 0.000 0.290 485 G C -1.450 173.619 174.900 0.282 0.000 1.432 485 G CA -0.311 44.982 45.100 0.322 0.000 0.807 485 G HN 0.391 nan 8.290 nan 0.000 0.485 486 I N -0.268 120.437 120.570 0.225 0.000 2.693 486 I HA 0.669 4.839 4.170 0.001 0.000 0.303 486 I C 0.345 176.625 176.117 0.271 0.000 1.025 486 I CA -0.585 60.825 61.300 0.184 0.000 1.086 486 I CB 2.576 40.599 38.000 0.040 0.000 1.268 486 I HN 0.460 nan 8.210 nan 0.000 0.440 487 T N 6.433 121.216 114.554 0.382 0.000 2.799 487 T HA 0.435 4.786 4.350 0.001 0.000 0.286 487 T C -1.871 172.963 174.700 0.222 0.000 0.973 487 T CA -1.857 60.385 62.100 0.238 0.000 1.035 487 T CB 1.189 70.145 68.868 0.147 0.000 0.932 487 T HN 0.436 nan 8.240 nan 0.000 0.469 488 P HA 0.053 nan 4.420 nan 0.000 0.233 488 P C 1.027 178.287 177.300 -0.067 0.000 1.167 488 P CA 0.311 63.444 63.100 0.056 0.000 0.770 488 P CB 0.456 32.176 31.700 0.034 0.000 0.837 489 R N 0.516 120.932 120.500 -0.140 0.000 2.060 489 R HA 0.022 4.363 4.340 0.001 0.000 0.225 489 R C 2.718 178.891 176.300 -0.212 0.000 1.155 489 R CA 1.531 57.498 56.100 -0.220 0.000 0.930 489 R CB -1.222 28.959 30.300 -0.198 0.000 0.829 489 R HN 0.009 nan 8.270 nan 0.000 0.433 490 R N -0.859 119.457 120.500 -0.306 0.000 2.081 490 R HA -0.116 4.224 4.340 0.001 0.000 0.235 490 R C 0.957 176.866 176.300 -0.651 0.000 1.131 490 R CA 1.665 57.407 56.100 -0.597 0.000 0.960 490 R CB -0.152 29.580 30.300 -0.947 0.000 0.856 490 R HN 0.303 nan 8.270 nan 0.000 0.436 491 W N -0.378 120.876 121.300 -0.078 0.000 3.400 491 W HA 0.265 4.926 4.660 0.001 0.000 0.347 491 W C 1.135 177.620 176.519 -0.056 0.000 1.218 491 W CA -0.531 56.767 57.345 -0.077 0.000 1.837 491 W CB 0.480 29.901 29.460 -0.064 0.000 1.067 491 W HN 0.186 nan 8.180 nan 0.000 0.701 492 L N -2.657 118.623 121.223 0.096 0.000 1.918 492 L HA -0.006 4.335 4.340 0.001 0.000 0.150 492 L C 1.750 178.636 176.870 0.026 0.000 1.315 492 L CA 0.240 55.130 54.840 0.084 0.000 1.085 492 L CB -0.624 41.514 42.059 0.131 0.000 2.248 492 L HN -0.313 nan 8.230 nan 0.000 0.481 493 V N 1.234 121.141 119.914 -0.012 0.000 2.261 493 V HA -0.300 3.820 4.120 0.001 0.000 0.246 493 V C 2.227 178.288 176.094 -0.055 0.000 1.047 493 V CA 2.430 64.711 62.300 -0.032 0.000 1.015 493 V CB -0.366 31.390 31.823 -0.111 0.000 0.642 493 V HN 0.446 nan 8.190 nan 0.000 0.446 494 L N 0.552 121.709 121.223 -0.110 0.000 2.044 494 L HA -0.172 4.169 4.340 0.001 0.000 0.205 494 L C 2.463 179.255 176.870 -0.129 0.000 1.075 494 L CA 2.419 57.179 54.840 -0.134 0.000 0.747 494 L CB -0.325 41.606 42.059 -0.212 0.000 0.903 494 L HN 0.641 nan 8.230 nan 0.000 0.435 495 C N -1.749 117.466 119.300 -0.142 0.000 2.563 495 C HA 0.221 4.681 4.460 0.001 0.000 0.268 495 C C 1.277 176.235 174.990 -0.054 0.000 1.365 495 C CA -0.226 58.726 59.018 -0.110 0.000 1.754 495 C CB -1.154 26.520 27.740 -0.111 0.000 1.932 495 C HN 0.620 nan 8.230 nan 0.000 0.536 496 N N 1.243 119.927 118.700 -0.027 0.000 2.672 496 N HA 0.255 4.995 4.740 0.001 0.000 0.295 496 N C -1.462 174.051 175.510 0.005 0.000 1.924 496 N CA -1.688 51.357 53.050 -0.008 0.000 0.851 496 N CB 0.557 39.047 38.487 0.005 0.000 1.281 496 N HN 0.277 nan 8.380 nan 0.000 0.494 497 P HA -0.108 nan 4.420 nan 0.000 0.217 497 P C 1.333 178.643 177.300 0.016 0.000 1.148 497 P CA 1.064 64.171 63.100 0.010 0.000 0.828 497 P CB 0.219 31.918 31.700 -0.002 0.000 0.783 498 G N 0.346 109.150 108.800 0.006 0.000 2.402 498 G HA2 -0.217 3.743 3.960 0.001 0.000 0.216 498 G HA3 -0.217 3.743 3.960 0.001 0.000 0.216 498 G C 1.523 176.428 174.900 0.008 0.000 1.162 498 G CA 0.431 45.534 45.100 0.005 0.000 0.777 498 G HN 0.227 nan 8.290 nan 0.000 0.539 499 L N 1.404 122.630 121.223 0.006 0.000 2.072 499 L HA 0.268 4.608 4.340 0.001 0.000 0.205 499 L C 3.009 179.896 176.870 0.027 0.000 1.079 499 L CA 1.872 56.714 54.840 0.003 0.000 0.752 499 L CB -0.847 41.211 42.059 -0.002 0.000 0.906 499 L HN 0.228 nan 8.230 nan 0.000 0.436 500 A N -1.033 121.824 122.820 0.060 0.000 2.024 500 A HA -0.243 4.077 4.320 0.001 0.000 0.220 500 A C 2.324 179.977 177.584 0.115 0.000 1.164 500 A CA 1.815 53.931 52.037 0.133 0.000 0.643 500 A CB -0.573 18.518 19.000 0.151 0.000 0.806 500 A HN 0.625 nan 8.150 nan 0.000 0.451 501 E N 0.266 120.506 120.200 0.067 0.000 2.051 501 E HA -0.125 4.226 4.350 0.001 0.000 0.189 501 E C 2.020 178.647 176.600 0.044 0.000 0.979 501 E CA 1.227 57.660 56.400 0.054 0.000 0.803 501 E CB -0.248 29.472 29.700 0.034 0.000 0.761 501 E HN 0.765 nan 8.360 nan 0.000 0.451 502 I N -1.237 119.362 120.570 0.048 0.000 2.493 502 I HA -0.156 4.015 4.170 0.001 0.000 0.254 502 I C 2.166 178.334 176.117 0.085 0.000 1.160 502 I CA 0.874 62.224 61.300 0.084 0.000 1.445 502 I CB -0.320 37.755 38.000 0.124 0.000 1.086 502 I HN 0.046 nan 8.210 nan 0.000 0.433 503 I N 2.017 122.607 120.570 0.034 0.000 2.233 503 I HA -0.181 3.989 4.170 0.001 0.000 0.243 503 I C 3.050 179.082 176.117 -0.142 0.000 1.093 503 I CA 1.330 62.565 61.300 -0.108 0.000 1.380 503 I CB -0.490 37.340 38.000 -0.283 0.000 1.067 503 I HN 0.286 nan 8.210 nan 0.000 0.413 504 A N 0.423 123.240 122.820 -0.005 0.000 1.908 504 A HA -0.253 4.067 4.320 0.001 0.000 0.218 504 A C 2.171 179.757 177.584 0.003 0.000 1.181 504 A CA 1.774 53.862 52.037 0.085 0.000 0.627 504 A CB -0.672 18.424 19.000 0.160 0.000 0.818 504 A HN 0.430 nan 8.150 nan 0.000 0.445 505 E N -0.915 119.271 120.200 -0.024 0.000 2.171 505 E HA -0.226 4.124 4.350 0.001 0.000 0.197 505 E C 2.224 178.756 176.600 -0.112 0.000 0.997 505 E CA 1.271 57.642 56.400 -0.048 0.000 0.810 505 E CB -0.003 29.672 29.700 -0.040 0.000 0.738 505 E HN 0.385 nan 8.360 nan 0.000 0.467 506 R N -0.198 120.167 120.500 -0.225 0.000 2.105 506 R HA 0.097 4.437 4.340 0.001 0.000 0.214 506 R C 2.145 178.325 176.300 -0.199 0.000 1.091 506 R CA 0.866 56.749 56.100 -0.362 0.000 1.007 506 R CB -0.201 29.538 30.300 -0.936 0.000 0.912 506 R HN 0.344 nan 8.270 nan 0.000 0.450 507 I N -3.526 116.962 120.570 -0.136 0.000 3.966 507 I HA 0.460 4.630 4.170 0.001 0.000 0.324 507 I C 0.413 176.554 176.117 0.040 0.000 1.517 507 I CA 0.019 61.295 61.300 -0.040 0.000 1.117 507 I CB 0.764 38.733 38.000 -0.052 0.000 1.190 507 I HN 0.175 nan 8.210 nan 0.000 0.466 508 G N 2.489 111.318 108.800 0.047 0.000 2.593 508 G HA2 -0.271 3.690 3.960 0.001 0.000 0.237 508 G HA3 -0.271 3.690 3.960 0.001 0.000 0.237 508 G C 0.024 175.033 174.900 0.182 0.000 1.312 508 G CA 0.479 45.631 45.100 0.087 0.000 0.896 508 G HN 0.526 nan 8.290 nan 0.000 0.574 509 E N -0.296 119.981 120.200 0.128 0.000 2.583 509 E HA 0.194 4.544 4.350 0.001 0.000 0.213 509 E C 1.624 178.190 176.600 -0.056 0.000 0.989 509 E CA 0.313 56.751 56.400 0.063 0.000 0.991 509 E CB 0.696 30.406 29.700 0.017 0.000 1.040 509 E HN 0.555 nan 8.360 nan 0.000 0.481 510 E N 0.182 120.406 120.200 0.040 0.000 2.418 510 E HA -0.168 4.182 4.350 0.001 0.000 0.197 510 E C 1.322 177.913 176.600 -0.015 0.000 1.026 510 E CA 0.605 57.010 56.400 0.008 0.000 0.862 510 E CB 0.065 29.792 29.700 0.044 0.000 0.799 510 E HN 0.458 nan 8.360 nan 0.000 0.518 511 Y N -1.339 118.957 120.300 -0.006 0.000 2.574 511 Y HA 0.009 4.559 4.550 0.001 0.000 0.294 511 Y C 1.458 177.332 175.900 -0.044 0.000 1.142 511 Y CA 0.443 58.534 58.100 -0.015 0.000 1.314 511 Y CB -0.338 38.117 38.460 -0.008 0.000 0.991 511 Y HN 0.000 nan 8.280 nan 0.000 0.555 512 I N 0.669 120.770 120.570 -0.782 0.000 2.546 512 I HA -0.178 3.993 4.170 0.001 0.000 0.255 512 I C 1.738 177.614 176.117 -0.403 0.000 1.163 512 I CA 1.524 62.392 61.300 -0.720 0.000 1.457 512 I CB -0.251 37.238 38.000 -0.852 0.000 1.092 512 I HN 0.425 nan 8.210 nan 0.000 0.434 513 S N -2.241 113.319 115.700 -0.233 0.000 2.603 513 S HA 0.154 4.624 4.470 0.001 0.000 0.232 513 S C 0.251 174.826 174.600 -0.041 0.000 1.016 513 S CA -0.465 57.672 58.200 -0.104 0.000 0.976 513 S CB 0.271 63.453 63.200 -0.029 0.000 0.921 513 S HN 0.214 nan 8.310 nan 0.000 0.516 514 D N 1.166 121.551 120.400 -0.024 0.000 2.378 514 D HA 0.311 4.951 4.640 0.001 0.000 0.265 514 D C 0.302 176.632 176.300 0.050 0.000 1.229 514 D CA -0.500 53.508 54.000 0.014 0.000 0.914 514 D CB 1.035 41.849 40.800 0.023 0.000 1.140 514 D HN 0.113 nan 8.370 nan 0.000 0.516 515 L N 2.564 123.819 121.223 0.053 0.000 2.376 515 L HA 0.064 4.404 4.340 0.001 0.000 0.219 515 L C 1.383 178.310 176.870 0.095 0.000 1.133 515 L CA 1.348 56.254 54.840 0.110 0.000 0.816 515 L CB -0.014 42.104 42.059 0.099 0.000 0.933 515 L HN 0.282 nan 8.230 nan 0.000 0.449 516 D N -0.480 119.950 120.400 0.049 0.000 2.265 516 D HA -0.229 4.411 4.640 0.001 0.000 0.208 516 D C 1.800 178.128 176.300 0.046 0.000 0.977 516 D CA 0.872 54.891 54.000 0.031 0.000 0.871 516 D CB 0.061 40.863 40.800 0.003 0.000 0.925 516 D HN 0.567 nan 8.370 nan 0.000 0.485 517 Q N 0.061 119.903 119.800 0.071 0.000 2.368 517 Q HA -0.096 4.244 4.340 0.001 0.000 0.210 517 Q C 2.287 178.319 176.000 0.054 0.000 0.982 517 Q CA 0.303 56.150 55.803 0.073 0.000 0.884 517 Q CB -0.026 28.781 28.738 0.114 0.000 0.933 517 Q HN 0.417 nan 8.270 nan 0.000 0.460 518 L N 0.140 121.391 121.223 0.047 0.000 2.265 518 L HA -0.183 4.157 4.340 0.001 0.000 0.215 518 L C 2.193 179.077 176.870 0.024 0.000 1.117 518 L CA 0.863 55.701 54.840 -0.004 0.000 0.782 518 L CB -0.384 41.681 42.059 0.010 0.000 0.914 518 L HN 0.229 nan 8.230 nan 0.000 0.441 519 R N 0.487 121.009 120.500 0.037 0.000 2.211 519 R HA -0.188 4.153 4.340 0.001 0.000 0.240 519 R C 1.934 178.261 176.300 0.045 0.000 1.144 519 R CA 0.987 57.111 56.100 0.040 0.000 0.992 519 R CB -0.295 30.022 30.300 0.029 0.000 0.869 519 R HN 0.454 nan 8.270 nan 0.000 0.462 520 K N 0.212 120.639 120.400 0.045 0.000 2.362 520 K HA -0.070 4.250 4.320 0.001 0.000 0.200 520 K C 1.391 178.072 176.600 0.134 0.000 1.046 520 K CA 0.537 56.863 56.287 0.066 0.000 0.952 520 K CB 0.034 32.569 32.500 0.058 0.000 0.753 520 K HN 0.001 nan 8.250 nan 0.000 0.466 521 L N 0.578 121.870 121.223 0.116 0.000 2.551 521 L HA -0.077 4.263 4.340 0.001 0.000 0.228 521 L C 1.641 178.649 176.870 0.230 0.000 1.153 521 L CA 0.982 55.944 54.840 0.203 0.000 0.851 521 L CB -0.514 41.631 42.059 0.144 0.000 0.959 521 L HN 0.120 nan 8.230 nan 0.000 0.451 522 L N -1.095 120.201 121.223 0.121 0.000 2.291 522 L HA -0.065 4.276 4.340 0.001 0.000 0.214 522 L C 2.325 179.203 176.870 0.012 0.000 1.120 522 L CA 1.184 56.067 54.840 0.073 0.000 0.799 522 L CB -0.822 41.262 42.059 0.042 0.000 0.925 522 L HN 0.200 nan 8.230 nan 0.000 0.446 523 S N -1.653 114.010 115.700 -0.061 0.000 2.515 523 S HA -0.088 4.382 4.470 0.001 0.000 0.231 523 S C 1.117 175.433 174.600 -0.473 0.000 0.987 523 S CA 0.577 58.610 58.200 -0.279 0.000 0.936 523 S CB -0.287 62.678 63.200 -0.392 0.000 0.766 523 S HN 0.460 nan 8.310 nan 0.000 0.528 524 Y N 0.026 120.299 120.300 -0.045 0.000 2.507 524 Y HA 0.283 4.833 4.550 0.000 0.000 0.254 524 Y C 1.735 177.722 175.900 0.145 0.000 1.171 524 Y CA -0.498 57.592 58.100 -0.017 0.000 1.238 524 Y CB -0.229 38.052 38.460 -0.299 0.000 1.148 524 Y HN 0.017 nan 8.280 nan 0.000 0.525 525 V N -0.205 119.813 119.914 0.173 0.000 2.594 525 V HA -0.252 3.868 4.120 0.001 0.000 0.253 525 V C 1.256 177.420 176.094 0.115 0.000 1.069 525 V CA 1.948 64.341 62.300 0.155 0.000 1.082 525 V CB -0.151 31.721 31.823 0.081 0.000 0.680 525 V HN 0.407 nan 8.190 nan 0.000 0.469 526 D N -0.666 119.780 120.400 0.077 0.000 2.363 526 D HA 0.065 4.705 4.640 0.001 0.000 0.214 526 D C 0.528 176.874 176.300 0.076 0.000 1.093 526 D CA 0.101 54.135 54.000 0.058 0.000 0.837 526 D CB 0.200 41.011 40.800 0.019 0.000 0.948 526 D HN 0.431 nan 8.370 nan 0.000 0.507 527 D N 1.726 122.207 120.400 0.135 0.000 2.339 527 D HA -0.017 4.624 4.640 0.001 0.000 0.241 527 D C 1.174 177.577 176.300 0.172 0.000 1.183 527 D CA -0.158 53.934 54.000 0.154 0.000 0.859 527 D CB 1.265 42.210 40.800 0.242 0.000 1.067 527 D HN -0.125 nan 8.370 nan 0.000 0.484 528 E N 2.957 123.223 120.200 0.110 0.000 2.086 528 E HA -0.230 4.120 4.350 0.001 0.000 0.200 528 E C 1.712 178.374 176.600 0.104 0.000 1.012 528 E CA 1.187 57.639 56.400 0.087 0.000 0.812 528 E CB -0.188 29.546 29.700 0.057 0.000 0.743 528 E HN 0.661 nan 8.360 nan 0.000 0.453 529 A N 0.479 123.376 122.820 0.129 0.000 1.898 529 A HA -0.150 4.170 4.320 0.001 0.000 0.216 529 A C 2.074 179.778 177.584 0.201 0.000 1.181 529 A CA 1.068 53.184 52.037 0.132 0.000 0.620 529 A CB -0.654 18.421 19.000 0.124 0.000 0.819 529 A HN 0.222 nan 8.150 nan 0.000 0.442 530 F N 0.546 120.528 119.950 0.053 0.000 2.113 530 F HA -0.090 4.437 4.527 0.001 0.000 0.297 530 F C 2.019 177.837 175.800 0.030 0.000 1.103 530 F CA 0.929 58.950 58.000 0.036 0.000 1.248 530 F CB -0.469 38.585 39.000 0.090 0.000 0.999 530 F HN 0.164 nan 8.300 nan 0.000 0.475 531 I N 0.749 121.369 120.570 0.083 0.000 2.118 531 I HA -0.390 3.780 4.170 0.001 0.000 0.241 531 I C 2.599 178.678 176.117 -0.063 0.000 1.070 531 I CA 2.136 63.419 61.300 -0.027 0.000 1.327 531 I CB -0.456 37.570 38.000 0.043 0.000 1.034 531 I HN 0.159 nan 8.210 nan 0.000 0.405 532 R N 0.030 120.522 120.500 -0.014 0.000 2.236 532 R HA -0.061 4.279 4.340 0.001 0.000 0.208 532 R C 1.294 177.566 176.300 -0.046 0.000 1.036 532 R CA 1.148 57.233 56.100 -0.026 0.000 1.001 532 R CB -0.394 29.905 30.300 -0.002 0.000 0.896 532 R HN 0.260 nan 8.270 nan 0.000 0.464 533 D N 1.082 121.448 120.400 -0.055 0.000 2.120 533 D HA -0.048 4.592 4.640 0.001 0.000 0.202 533 D C 2.036 178.241 176.300 -0.158 0.000 0.972 533 D CA 0.900 54.858 54.000 -0.070 0.000 0.837 533 D CB -0.016 40.790 40.800 0.010 0.000 0.989 533 D HN 0.002 nan 8.370 nan 0.000 0.469 534 V N 1.163 120.882 119.914 -0.325 0.000 2.332 534 V HA -0.244 3.876 4.120 0.001 0.000 0.248 534 V C 2.386 178.386 176.094 -0.157 0.000 1.055 534 V CA 1.904 64.000 62.300 -0.341 0.000 1.038 534 V CB -0.656 30.838 31.823 -0.549 0.000 0.651 534 V HN 0.198 nan 8.190 nan 0.000 0.450 535 A N -0.307 122.443 122.820 -0.117 0.000 1.929 535 A HA -0.189 4.131 4.320 0.001 0.000 0.216 535 A C 2.193 179.738 177.584 -0.065 0.000 1.176 535 A CA 1.926 53.925 52.037 -0.063 0.000 0.628 535 A CB -0.416 18.552 19.000 -0.052 0.000 0.816 535 A HN 0.465 nan 8.150 nan 0.000 0.444 536 K N 0.165 120.527 120.400 -0.065 0.000 2.009 536 K HA -0.093 4.227 4.320 0.001 0.000 0.210 536 K C 1.695 178.266 176.600 -0.048 0.000 1.049 536 K CA 1.977 58.234 56.287 -0.050 0.000 0.929 536 K CB -0.835 31.642 32.500 -0.037 0.000 0.714 536 K HN 0.162 nan 8.250 nan 0.000 0.440 537 V N 1.179 121.062 119.914 -0.053 0.000 2.282 537 V HA -0.290 3.831 4.120 0.001 0.000 0.249 537 V C 2.385 178.451 176.094 -0.046 0.000 1.057 537 V CA 2.302 64.576 62.300 -0.044 0.000 1.032 537 V CB -0.623 31.171 31.823 -0.048 0.000 0.645 537 V HN 0.369 nan 8.190 nan 0.000 0.447 538 K N 0.268 120.637 120.400 -0.052 0.000 2.097 538 K HA -0.200 4.120 4.320 0.001 0.000 0.206 538 K C 2.250 178.791 176.600 -0.098 0.000 1.049 538 K CA 1.692 57.944 56.287 -0.059 0.000 0.933 538 K CB -0.483 31.999 32.500 -0.031 0.000 0.717 538 K HN 0.561 nan 8.250 nan 0.000 0.442 539 Q N 0.327 120.072 119.800 -0.090 0.000 2.119 539 Q HA -0.156 4.184 4.340 0.001 0.000 0.201 539 Q C 1.472 177.430 176.000 -0.070 0.000 0.972 539 Q CA 1.508 57.251 55.803 -0.101 0.000 0.847 539 Q CB 0.033 28.724 28.738 -0.079 0.000 0.903 539 Q HN 0.485 nan 8.270 nan 0.000 0.433 540 E N 0.289 120.462 120.200 -0.044 0.000 2.106 540 E HA -0.154 4.196 4.350 0.001 0.000 0.192 540 E C 1.715 178.312 176.600 -0.005 0.000 0.984 540 E CA 1.292 57.681 56.400 -0.019 0.000 0.806 540 E CB -0.101 29.591 29.700 -0.013 0.000 0.750 540 E HN 0.522 nan 8.360 nan 0.000 0.458 541 N N 0.721 119.410 118.700 -0.017 0.000 2.216 541 N HA -0.105 4.635 4.740 0.001 0.000 0.183 541 N C 1.684 177.221 175.510 0.044 0.000 1.017 541 N CA 0.664 53.718 53.050 0.008 0.000 0.861 541 N CB 0.076 38.551 38.487 -0.021 0.000 0.986 541 N HN 0.020 nan 8.380 nan 0.000 0.428 542 K N 0.715 121.076 120.400 -0.065 0.000 2.026 542 K HA -0.078 4.242 4.320 0.001 0.000 0.208 542 K C 1.837 178.508 176.600 0.119 0.000 1.048 542 K CA 0.729 56.934 56.287 -0.137 0.000 0.929 542 K CB -0.099 32.029 32.500 -0.619 0.000 0.713 542 K HN 0.098 nan 8.250 nan 0.000 0.439 543 L N 1.892 123.145 121.223 0.050 0.000 1.970 543 L HA -0.219 4.121 4.340 0.001 0.000 0.212 543 L C 2.360 179.302 176.870 0.119 0.000 1.071 543 L CA 1.819 56.705 54.840 0.078 0.000 0.751 543 L CB -0.819 41.260 42.059 0.033 0.000 0.889 543 L HN 0.205 nan 8.230 nan 0.000 0.432 544 K N -1.324 119.147 120.400 0.119 0.000 2.074 544 K HA -0.269 4.051 4.320 0.001 0.000 0.209 544 K C 2.190 178.927 176.600 0.228 0.000 1.048 544 K CA 1.725 58.096 56.287 0.140 0.000 0.926 544 K CB -0.262 32.311 32.500 0.123 0.000 0.713 544 K HN 0.095 nan 8.250 nan 0.000 0.444 545 F N 0.948 120.977 119.950 0.131 0.000 2.163 545 F HA -0.000 4.527 4.527 0.000 0.000 0.297 545 F C 2.054 177.972 175.800 0.197 0.000 1.094 545 F CA 1.073 59.182 58.000 0.181 0.000 1.290 545 F CB -0.612 38.538 39.000 0.251 0.000 1.017 545 F HN 0.063 nan 8.300 nan 0.000 0.483 546 A N -0.142 122.797 122.820 0.198 0.000 2.076 546 A HA -0.025 4.295 4.320 0.001 0.000 0.220 546 A C 2.305 179.870 177.584 -0.032 0.000 1.160 546 A CA 1.699 53.761 52.037 0.043 0.000 0.653 546 A CB -1.280 17.808 19.000 0.147 0.000 0.801 546 A HN 0.444 nan 8.150 nan 0.000 0.455 547 A N -1.343 121.487 122.820 0.016 0.000 1.844 547 A HA 0.072 4.392 4.320 0.001 0.000 0.212 547 A C 2.060 179.627 177.584 -0.029 0.000 1.221 547 A CA 1.245 53.281 52.037 -0.002 0.000 0.607 547 A CB -1.004 18.017 19.000 0.036 0.000 0.878 547 A HN 0.672 nan 8.150 nan 0.000 0.451 548 Y N 0.254 120.476 120.300 -0.131 0.000 2.181 548 Y HA -0.197 4.354 4.550 0.000 0.000 0.284 548 Y C 1.655 177.364 175.900 -0.319 0.000 1.179 548 Y CA 1.634 59.620 58.100 -0.189 0.000 1.179 548 Y CB -0.360 38.036 38.460 -0.107 0.000 0.973 548 Y HN 0.189 nan 8.280 nan 0.000 0.519 549 L N 0.738 121.840 121.223 -0.202 0.000 2.740 549 L HA -0.123 4.217 4.340 0.001 0.000 0.242 549 L C 0.623 177.395 176.870 -0.165 0.000 1.175 549 L CA 1.747 56.431 54.840 -0.259 0.000 0.859 549 L CB -0.703 41.090 42.059 -0.442 0.000 0.992 549 L HN 0.415 nan 8.230 nan 0.000 0.454 550 E N -3.276 116.805 120.200 -0.198 0.000 2.534 550 E HA 0.068 4.419 4.350 0.001 0.000 0.179 550 E C 1.579 178.069 176.600 -0.183 0.000 0.916 550 E CA -0.044 56.271 56.400 -0.143 0.000 1.354 550 E CB 0.137 29.788 29.700 -0.082 0.000 1.321 550 E HN 0.179 nan 8.360 nan 0.000 0.663 551 R N 0.817 121.146 120.500 -0.286 0.000 2.112 551 R HA 0.126 4.467 4.340 0.001 0.000 0.216 551 R C -0.375 175.698 176.300 -0.379 0.000 1.080 551 R CA 1.054 56.991 56.100 -0.271 0.000 0.996 551 R CB 0.492 30.648 30.300 -0.240 0.000 0.902 551 R HN -0.132 nan 8.270 nan 0.000 0.449 552 E N -0.253 119.532 120.200 -0.690 0.000 2.256 552 E HA 0.307 4.658 4.350 0.001 0.000 0.268 552 E C -1.378 174.704 176.600 -0.863 0.000 0.877 552 E CA -0.634 55.294 56.400 -0.787 0.000 0.757 552 E CB 1.151 30.125 29.700 -1.210 0.000 1.183 552 E HN 0.028 nan 8.360 nan 0.000 0.418 553 Y N -0.378 119.819 120.300 -0.171 0.000 2.499 553 Y HA -0.227 4.323 4.550 0.001 0.000 0.302 553 Y C -0.195 175.649 175.900 -0.093 0.000 1.682 553 Y CA -0.191 57.852 58.100 -0.096 0.000 1.426 553 Y CB -1.368 37.053 38.460 -0.065 0.000 2.075 553 Y HN 0.598 nan 8.280 nan 0.000 0.260 554 K N -2.571 117.896 120.400 0.112 0.000 2.736 554 K HA 0.898 5.219 4.320 0.001 0.000 0.290 554 K C -1.126 175.496 176.600 0.037 0.000 1.033 554 K CA -0.284 56.025 56.287 0.035 0.000 0.852 554 K CB 1.739 34.255 32.500 0.026 0.000 1.494 554 K HN 0.814 nan 8.250 nan 0.000 0.378 555 V N -1.481 118.447 119.914 0.024 0.000 6.627 555 V HA 0.342 4.463 4.120 0.001 0.000 0.066 555 V C -1.395 174.752 176.094 0.088 0.000 0.866 555 V CA 0.475 62.800 62.300 0.041 0.000 0.809 555 V CB 0.445 32.265 31.823 -0.004 0.000 1.383 555 V HN 1.140 nan 8.190 nan 0.000 0.689 556 H N 0.399 119.456 119.070 -0.021 0.000 5.996 556 H HA 0.211 4.767 4.556 0.000 0.000 0.861 556 H C -2.496 172.817 175.328 -0.024 0.000 1.988 556 H CA -0.268 55.772 56.048 -0.013 0.000 1.455 556 H CB -0.339 29.422 29.762 -0.003 0.000 4.453 556 H HN 0.373 nan 8.280 nan 0.000 0.645 557 I N 4.070 124.316 120.570 -0.541 0.000 2.412 557 I HA 0.167 4.337 4.170 0.001 0.000 0.296 557 I C 0.593 176.463 176.117 -0.411 0.000 0.987 557 I CA -0.489 60.587 61.300 -0.372 0.000 1.180 557 I CB 1.339 39.209 38.000 -0.216 0.000 1.340 557 I HN 0.487 nan 8.210 nan 0.000 0.455 558 N N 7.981 126.585 118.700 -0.160 0.000 2.420 558 N HA 0.295 5.035 4.740 0.001 0.000 0.249 558 N C -1.899 173.685 175.510 0.124 0.000 1.033 558 N CA -2.198 50.856 53.050 0.006 0.000 0.944 558 N CB 1.218 39.770 38.487 0.109 0.000 1.113 558 N HN 0.294 nan 8.380 nan 0.000 0.502 559 P HA 0.010 nan 4.420 nan 0.000 0.237 559 P C -0.322 177.015 177.300 0.061 0.000 1.178 559 P CA 0.748 63.938 63.100 0.151 0.000 0.766 559 P CB 0.320 32.067 31.700 0.078 0.000 0.876 560 N N -0.292 118.457 118.700 0.082 0.000 2.336 560 N HA -0.000 4.740 4.740 0.001 0.000 0.189 560 N C 0.466 176.051 175.510 0.126 0.000 1.113 560 N CA -0.133 52.956 53.050 0.065 0.000 0.858 560 N CB 0.018 38.540 38.487 0.059 0.000 0.970 560 N HN 0.177 nan 8.380 nan 0.000 0.471 561 S N 0.007 115.806 115.700 0.165 0.000 2.632 561 S HA 0.213 4.683 4.470 0.001 0.000 0.267 561 S C 0.105 174.733 174.600 0.047 0.000 1.276 561 S CA -0.954 57.324 58.200 0.129 0.000 0.998 561 S CB 1.077 64.359 63.200 0.136 0.000 0.953 561 S HN 0.195 nan 8.310 nan 0.000 0.547 562 L N 2.096 123.139 121.223 -0.300 0.000 2.410 562 L HA 0.310 4.650 4.340 0.001 0.000 0.273 562 L C -1.142 175.702 176.870 -0.045 0.000 1.144 562 L CA -0.475 53.967 54.840 -0.664 0.000 0.863 562 L CB -0.176 41.224 42.059 -1.099 0.000 1.140 562 L HN 0.615 nan 8.230 nan 0.000 0.463 563 F N 3.643 123.456 119.950 -0.229 0.000 2.390 563 F HA 0.230 4.757 4.527 0.001 0.000 0.361 563 F C 0.359 176.095 175.800 -0.108 0.000 1.124 563 F CA -1.115 56.825 58.000 -0.099 0.000 1.149 563 F CB 0.604 39.596 39.000 -0.014 0.000 1.160 563 F HN 0.393 nan 8.300 nan 0.000 0.501 564 D N 3.970 124.386 120.400 0.027 0.000 2.392 564 D HA 0.373 5.013 4.640 0.001 0.000 0.228 564 D C -1.138 175.122 176.300 -0.066 0.000 1.074 564 D CA -0.110 53.858 54.000 -0.054 0.000 0.838 564 D CB 1.350 42.101 40.800 -0.082 0.000 1.067 564 D HN 0.335 nan 8.370 nan 0.000 0.511 565 V N 2.276 122.127 119.914 -0.105 0.000 2.735 565 V HA 0.613 4.733 4.120 0.001 0.000 0.310 565 V C -1.443 174.526 176.094 -0.208 0.000 1.061 565 V CA -0.668 61.566 62.300 -0.109 0.000 0.913 565 V CB 1.986 33.826 31.823 0.028 0.000 1.005 565 V HN 0.539 nan 8.190 nan 0.000 0.428 566 Q N 3.719 123.412 119.800 -0.177 0.000 2.337 566 Q HA 0.658 4.998 4.340 0.001 0.000 0.264 566 Q C -1.599 174.257 176.000 -0.239 0.000 1.007 566 Q CA -0.607 55.078 55.803 -0.197 0.000 0.727 566 Q CB 1.971 30.616 28.738 -0.155 0.000 1.256 566 Q HN 1.115 nan 8.270 nan 0.000 0.467 567 V N 1.596 121.359 119.914 -0.252 0.000 2.483 567 V HA 0.838 4.959 4.120 0.001 0.000 0.297 567 V C -0.847 175.040 176.094 -0.345 0.000 1.027 567 V CA -0.638 61.331 62.300 -0.553 0.000 0.855 567 V CB 1.160 32.415 31.823 -0.948 0.000 0.995 567 V HN 0.820 nan 8.190 nan 0.000 0.424 568 K N 2.629 122.876 120.400 -0.255 0.000 2.999 568 K HA 0.472 4.792 4.320 0.001 0.000 0.295 568 K C -1.134 175.480 176.600 0.023 0.000 1.082 568 K CA -1.285 54.994 56.287 -0.014 0.000 0.816 568 K CB 1.179 33.642 32.500 -0.062 0.000 1.492 568 K HN 0.523 nan 8.250 nan 0.000 0.362 569 R N 0.706 121.246 120.500 0.067 0.000 2.623 569 R HA 0.163 4.504 4.340 0.001 0.000 0.271 569 R C 0.208 176.532 176.300 0.040 0.000 1.043 569 R CA -0.441 55.712 56.100 0.089 0.000 1.083 569 R CB 0.113 30.478 30.300 0.109 0.000 0.974 569 R HN 0.346 nan 8.270 nan 0.000 0.436 570 I N 4.218 124.831 120.570 0.072 0.000 2.421 570 I HA 0.038 4.209 4.170 0.001 0.000 0.291 570 I C 0.566 176.694 176.117 0.019 0.000 1.089 570 I CA 0.757 62.065 61.300 0.012 0.000 1.354 570 I CB -0.483 37.527 38.000 0.017 0.000 1.413 570 I HN 0.566 nan 8.210 nan 0.000 0.513 571 H N 5.406 124.399 119.070 -0.128 0.000 2.985 571 H HA 0.290 4.847 4.556 0.000 0.000 0.360 571 H C 0.252 175.488 175.328 -0.153 0.000 1.221 571 H CA -0.409 55.621 56.048 -0.030 0.000 1.121 571 H CB 2.085 31.832 29.762 -0.024 0.000 1.854 571 H HN 0.537 nan 8.280 nan 0.000 0.551 572 E N 1.119 121.318 120.200 -0.001 0.000 2.076 572 E HA -0.172 4.178 4.350 0.001 0.000 0.190 572 E C 1.528 177.917 176.600 -0.351 0.000 0.979 572 E CA 1.113 57.479 56.400 -0.057 0.000 0.807 572 E CB -0.089 29.724 29.700 0.189 0.000 0.761 572 E HN 0.553 nan 8.360 nan 0.000 0.454 573 Y N 1.829 121.634 120.300 -0.825 0.000 2.298 573 Y HA -0.199 4.351 4.550 0.000 0.000 0.287 573 Y C 1.488 177.168 175.900 -0.367 0.000 1.164 573 Y CA 1.225 58.724 58.100 -1.000 0.000 1.229 573 Y CB -0.225 37.709 38.460 -0.877 0.000 0.977 573 Y HN -0.191 nan 8.280 nan 0.000 0.538 574 K N 0.553 120.576 120.400 -0.629 0.000 2.432 574 K HA 0.043 4.364 4.320 0.001 0.000 0.196 574 K C 0.205 176.656 176.600 -0.247 0.000 1.038 574 K CA 0.515 56.505 56.287 -0.496 0.000 0.986 574 K CB -0.039 32.149 32.500 -0.520 0.000 0.782 574 K HN 0.257 nan 8.250 nan 0.000 0.485 575 R N 0.848 121.236 120.500 -0.188 0.000 3.188 575 R HA -0.221 4.119 4.340 0.001 0.000 0.247 575 R C 0.378 176.611 176.300 -0.112 0.000 0.918 575 R CA 0.036 56.067 56.100 -0.116 0.000 0.629 575 R CB -1.439 28.808 30.300 -0.089 0.000 1.087 575 R HN 0.236 nan 8.270 nan 0.000 0.462 576 Q N 0.172 119.906 119.800 -0.110 0.000 2.170 576 Q HA -0.060 4.280 4.340 0.001 0.000 0.203 576 Q C 1.816 177.773 176.000 -0.072 0.000 0.976 576 Q CA 1.432 57.182 55.803 -0.088 0.000 0.858 576 Q CB 0.046 28.738 28.738 -0.077 0.000 0.907 576 Q HN 0.614 nan 8.270 nan 0.000 0.433 577 L N -0.573 120.608 121.223 -0.070 0.000 2.131 577 L HA -0.170 4.171 4.340 0.001 0.000 0.210 577 L C 1.951 178.824 176.870 0.004 0.000 1.092 577 L CA 0.449 55.260 54.840 -0.049 0.000 0.759 577 L CB -0.268 41.767 42.059 -0.039 0.000 0.903 577 L HN 0.284 nan 8.230 nan 0.000 0.435 578 L N -0.124 121.092 121.223 -0.013 0.000 2.056 578 L HA -0.232 4.108 4.340 0.001 0.000 0.207 578 L C 2.087 178.995 176.870 0.065 0.000 1.078 578 L CA 1.901 56.734 54.840 -0.011 0.000 0.749 578 L CB -0.705 41.232 42.059 -0.204 0.000 0.901 578 L HN 0.302 nan 8.230 nan 0.000 0.433 579 N N -1.665 117.045 118.700 0.017 0.000 2.142 579 N HA -0.223 4.518 4.740 0.001 0.000 0.186 579 N C 1.909 177.499 175.510 0.133 0.000 1.023 579 N CA 1.437 54.579 53.050 0.152 0.000 0.852 579 N CB -0.129 38.390 38.487 0.054 0.000 0.998 579 N HN 0.470 nan 8.380 nan 0.000 0.424 580 C N 0.672 119.990 119.300 0.030 0.000 2.422 580 C HA -0.032 4.428 4.460 0.001 0.000 0.279 580 C C 2.589 177.586 174.990 0.011 0.000 1.305 580 C CA 0.267 59.262 59.018 -0.038 0.000 1.757 580 C CB -1.192 26.472 27.740 -0.126 0.000 1.962 580 C HN 0.490 nan 8.230 nan 0.000 0.499 581 L N -0.247 121.042 121.223 0.110 0.000 1.994 581 L HA -0.202 4.138 4.340 0.001 0.000 0.208 581 L C 2.806 179.847 176.870 0.285 0.000 1.071 581 L CA 2.037 56.988 54.840 0.185 0.000 0.745 581 L CB -1.250 40.971 42.059 0.270 0.000 0.892 581 L HN 0.539 nan 8.230 nan 0.000 0.431 582 H N -0.010 119.215 119.070 0.259 0.000 2.352 582 H HA -0.166 4.390 4.556 0.000 0.000 0.299 582 H C 2.263 177.614 175.328 0.038 0.000 1.097 582 H CA 2.030 58.144 56.048 0.111 0.000 1.311 582 H CB 0.205 29.933 29.762 -0.056 0.000 1.377 582 H HN 0.096 nan 8.280 nan 0.000 0.504 583 V N 1.410 121.298 119.914 -0.043 0.000 2.287 583 V HA -0.276 3.845 4.120 0.001 0.000 0.248 583 V C 2.827 178.874 176.094 -0.079 0.000 1.053 583 V CA 2.051 64.269 62.300 -0.137 0.000 1.027 583 V CB -0.453 31.329 31.823 -0.070 0.000 0.646 583 V HN 0.375 nan 8.190 nan 0.000 0.447 584 I N -0.518 120.048 120.570 -0.007 0.000 2.252 584 I HA -0.207 3.963 4.170 0.001 0.000 0.245 584 I C 2.467 178.675 176.117 0.153 0.000 1.102 584 I CA 1.672 63.048 61.300 0.127 0.000 1.385 584 I CB -0.928 37.152 38.000 0.134 0.000 1.064 584 I HN 0.303 nan 8.210 nan 0.000 0.414 585 T N 1.556 116.160 114.554 0.084 0.000 2.680 585 T HA -0.233 4.117 4.350 0.001 0.000 0.268 585 T C 1.859 176.538 174.700 -0.034 0.000 1.033 585 T CA 1.599 63.730 62.100 0.052 0.000 1.152 585 T CB -0.379 68.538 68.868 0.081 0.000 0.859 585 T HN 0.109 nan 8.240 nan 0.000 0.452 586 L N -0.298 120.841 121.223 -0.139 0.000 1.988 586 L HA 0.032 4.372 4.340 0.001 0.000 0.207 586 L C 2.140 178.994 176.870 -0.027 0.000 1.071 586 L CA 1.573 56.316 54.840 -0.161 0.000 0.744 586 L CB -1.104 40.787 42.059 -0.279 0.000 0.893 586 L HN 0.309 nan 8.230 nan 0.000 0.433 587 Y N 0.825 121.075 120.300 -0.082 0.000 2.014 587 Y HA -0.381 4.169 4.550 0.000 0.000 0.272 587 Y C 2.494 178.394 175.900 0.001 0.000 1.164 587 Y CA 2.225 60.316 58.100 -0.014 0.000 1.114 587 Y CB -0.666 37.832 38.460 0.063 0.000 0.961 587 Y HN 0.306 nan 8.280 nan 0.000 0.489 588 N N 0.385 119.039 118.700 -0.076 0.000 2.133 588 N HA -0.238 4.503 4.740 0.001 0.000 0.193 588 N C 1.963 177.362 175.510 -0.185 0.000 1.012 588 N CA 1.828 54.769 53.050 -0.181 0.000 0.871 588 N CB -0.488 37.986 38.487 -0.022 0.000 1.011 588 N HN 0.363 nan 8.380 nan 0.000 0.435 589 R N 0.388 120.814 120.500 -0.125 0.000 2.066 589 R HA 0.146 4.486 4.340 0.001 0.000 0.232 589 R C 2.248 178.469 176.300 -0.131 0.000 1.131 589 R CA 0.769 56.804 56.100 -0.108 0.000 0.955 589 R CB -0.349 29.897 30.300 -0.091 0.000 0.851 589 R HN 0.219 nan 8.270 nan 0.000 0.432 590 I N 0.716 121.195 120.570 -0.153 0.000 2.226 590 I HA -0.290 3.880 4.170 0.001 0.000 0.245 590 I C 1.803 177.814 176.117 -0.176 0.000 1.100 590 I CA 1.160 62.369 61.300 -0.151 0.000 1.374 590 I CB -0.156 37.762 38.000 -0.136 0.000 1.057 590 I HN 0.031 nan 8.210 nan 0.000 0.413 591 K N 0.853 121.092 120.400 -0.269 0.000 2.147 591 K HA -0.184 4.136 4.320 0.001 0.000 0.205 591 K C 1.963 178.464 176.600 -0.165 0.000 1.049 591 K CA 1.219 57.350 56.287 -0.261 0.000 0.936 591 K CB -0.404 31.858 32.500 -0.397 0.000 0.722 591 K HN 0.347 nan 8.250 nan 0.000 0.446 592 K N 1.080 121.392 120.400 -0.146 0.000 2.116 592 K HA -0.068 4.253 4.320 0.001 0.000 0.203 592 K C -0.220 176.331 176.600 -0.082 0.000 1.052 592 K CA 0.954 57.179 56.287 -0.102 0.000 0.952 592 K CB 0.330 32.775 32.500 -0.092 0.000 0.729 592 K HN -0.069 nan 8.250 nan 0.000 0.446 593 E N 0.406 120.556 120.200 -0.083 0.000 2.795 593 E HA 0.154 4.504 4.350 0.001 0.000 0.226 593 E C -2.301 174.259 176.600 -0.066 0.000 1.088 593 E CA -1.888 54.475 56.400 -0.063 0.000 0.812 593 E CB 1.813 31.484 29.700 -0.049 0.000 1.328 593 E HN 0.098 nan 8.360 nan 0.000 0.410 594 P HA -0.095 nan 4.420 nan 0.000 0.228 594 P C 0.057 177.332 177.300 -0.042 0.000 1.151 594 P CA 0.909 63.974 63.100 -0.058 0.000 0.770 594 P CB 0.330 32.001 31.700 -0.048 0.000 0.786 595 N N -1.859 116.823 118.700 -0.030 0.000 2.197 595 N HA 0.042 4.783 4.740 0.001 0.000 0.228 595 N C 0.199 175.712 175.510 0.005 0.000 1.212 595 N CA -0.066 52.979 53.050 -0.008 0.000 0.883 595 N CB 0.592 39.079 38.487 0.001 0.000 1.107 595 N HN 0.032 nan 8.380 nan 0.000 0.519 596 K N 1.285 121.674 120.400 -0.018 0.000 2.234 596 K HA 0.163 4.483 4.320 0.001 0.000 0.282 596 K C -0.526 176.050 176.600 -0.041 0.000 1.039 596 K CA -0.582 55.704 56.287 -0.001 0.000 0.928 596 K CB 0.584 33.069 32.500 -0.025 0.000 1.039 596 K HN -0.077 nan 8.250 nan 0.000 0.470 597 F N 4.401 124.344 119.950 -0.013 0.000 2.578 597 F HA 0.156 4.683 4.527 0.001 0.000 0.376 597 F C -0.367 175.428 175.800 -0.010 0.000 1.085 597 F CA 0.133 58.127 58.000 -0.008 0.000 1.260 597 F CB 0.506 39.503 39.000 -0.005 0.000 1.095 597 F HN 0.109 nan 8.300 nan 0.000 0.573 598 V N 7.532 126.638 119.914 -1.347 0.000 2.709 598 V HA 0.464 4.584 4.120 0.001 0.000 0.308 598 V C -1.193 174.296 176.094 -1.007 0.000 1.062 598 V CA -0.855 60.939 62.300 -0.844 0.000 0.901 598 V CB 2.161 33.736 31.823 -0.414 0.000 1.003 598 V HN 0.605 nan 8.190 nan 0.000 0.425 599 V N 9.526 129.180 119.914 -0.433 0.000 2.479 599 V HA 0.251 4.371 4.120 0.001 0.000 0.281 599 V C -1.703 174.310 176.094 -0.137 0.000 1.031 599 V CA -0.735 61.505 62.300 -0.100 0.000 1.038 599 V CB 0.995 32.881 31.823 0.105 0.000 0.981 599 V HN 0.848 nan 8.190 nan 0.000 0.478 600 P HA 0.423 nan 4.420 nan 0.000 0.274 600 P C -0.684 176.570 177.300 -0.078 0.000 1.237 600 P CA -0.507 62.550 63.100 -0.073 0.000 0.793 600 P CB 1.255 32.946 31.700 -0.016 0.000 0.977 601 R N -0.360 120.095 120.500 -0.075 0.000 2.799 601 R HA 0.645 4.985 4.340 0.001 0.000 0.270 601 R C -0.843 175.414 176.300 -0.071 0.000 1.010 601 R CA -0.625 55.424 56.100 -0.086 0.000 0.916 601 R CB 1.976 32.211 30.300 -0.108 0.000 1.228 601 R HN 0.323 nan 8.270 nan 0.000 0.469 602 T N 1.378 115.875 114.554 -0.095 0.000 2.906 602 T HA 0.256 4.606 4.350 0.001 0.000 0.302 602 T C -1.168 173.434 174.700 -0.163 0.000 1.002 602 T CA -0.589 61.405 62.100 -0.177 0.000 0.988 602 T CB 1.289 69.930 68.868 -0.377 0.000 0.972 602 T HN 0.351 nan 8.240 nan 0.000 0.447 603 V N 5.024 124.863 119.914 -0.125 0.000 2.407 603 V HA 0.766 4.887 4.120 0.001 0.000 0.278 603 V C -0.714 175.314 176.094 -0.110 0.000 1.037 603 V CA -0.610 61.630 62.300 -0.100 0.000 0.900 603 V CB 0.852 32.636 31.823 -0.064 0.000 0.983 603 V HN 0.887 nan 8.190 nan 0.000 0.459 604 M N 7.565 127.099 119.600 -0.111 0.000 2.197 604 M HA 0.607 5.087 4.480 0.001 0.000 0.301 604 M C -1.075 175.137 176.300 -0.148 0.000 0.987 604 M CA -0.181 55.051 55.300 -0.114 0.000 0.921 604 M CB 2.146 34.702 32.600 -0.072 0.000 1.569 604 M HN 0.510 nan 8.290 nan 0.000 0.431 605 I N 1.786 122.236 120.570 -0.201 0.000 2.498 605 I HA 0.842 5.012 4.170 0.001 0.000 0.290 605 I C 0.062 175.852 176.117 -0.545 0.000 1.032 605 I CA -0.640 60.509 61.300 -0.252 0.000 1.073 605 I CB 2.355 40.296 38.000 -0.099 0.000 1.251 605 I HN 0.814 nan 8.210 nan 0.000 0.426 606 G N 2.953 111.417 108.800 -0.561 0.000 2.659 606 G HA2 0.840 4.800 3.960 0.001 0.000 0.296 606 G HA3 0.840 4.800 3.960 0.001 0.000 0.296 606 G C -0.976 173.674 174.900 -0.417 0.000 1.369 606 G CA -0.738 43.922 45.100 -0.733 0.000 0.937 606 G HN 0.981 nan 8.290 nan 0.000 0.485 607 G N -0.359 108.352 108.800 -0.149 0.000 2.339 607 G HA2 0.422 4.382 3.960 0.001 0.000 0.302 607 G HA3 0.422 4.382 3.960 0.001 0.000 0.302 607 G C -1.526 173.524 174.900 0.250 0.000 1.425 607 G CA -1.041 44.129 45.100 0.117 0.000 0.899 607 G HN 0.599 nan 8.290 nan 0.000 0.619 608 K N 1.298 121.837 120.400 0.231 0.000 2.159 608 K HA 0.685 5.005 4.320 0.001 0.000 0.266 608 K C -1.010 175.740 176.600 0.250 0.000 0.975 608 K CA -0.853 55.593 56.287 0.264 0.000 0.865 608 K CB 2.637 35.226 32.500 0.148 0.000 1.087 608 K HN 0.411 nan 8.250 nan 0.000 0.446 609 P HA 0.006 nan 4.420 nan 0.000 0.198 609 P C -0.650 176.803 177.300 0.255 0.000 1.043 609 P CA 1.754 64.956 63.100 0.171 0.000 0.892 609 P CB 0.005 31.771 31.700 0.110 0.000 0.701 610 A N -2.832 120.178 122.820 0.315 0.000 1.518 610 A HA 0.479 4.799 4.320 0.001 0.000 0.231 610 A C -3.306 174.431 177.584 0.255 0.000 0.946 610 A CA -0.444 51.802 52.037 0.348 0.000 0.693 610 A CB -0.755 18.467 19.000 0.369 0.000 0.601 610 A HN 0.178 nan 8.150 nan 0.000 0.324 611 P HA 0.360 nan 4.420 nan 0.000 0.264 611 P C 1.280 178.649 177.300 0.115 0.000 1.183 611 P CA 2.265 65.389 63.100 0.040 0.000 0.763 611 P CB 0.708 32.382 31.700 -0.044 0.000 0.807 612 G N 1.930 110.792 108.800 0.103 0.000 2.166 612 G HA2 -0.292 3.669 3.960 0.001 0.000 0.260 612 G HA3 -0.292 3.669 3.960 0.001 0.000 0.260 612 G C -0.133 174.909 174.900 0.236 0.000 0.986 612 G CA -0.268 44.914 45.100 0.136 0.000 0.683 612 G HN 0.553 nan 8.290 nan 0.000 0.527 613 Y N 2.108 122.458 120.300 0.083 0.000 2.595 613 Y HA 0.392 4.943 4.550 0.000 0.000 0.347 613 Y C 1.404 177.361 175.900 0.094 0.000 1.025 613 Y CA -0.923 57.222 58.100 0.076 0.000 1.295 613 Y CB -0.416 38.069 38.460 0.043 0.000 1.147 613 Y HN 0.414 nan 8.280 nan 0.000 0.515 614 H N 4.275 123.520 119.070 0.291 0.000 2.319 614 H HA -0.198 4.358 4.556 0.000 0.000 0.299 614 H C 1.477 176.836 175.328 0.050 0.000 1.092 614 H CA 2.231 58.363 56.048 0.141 0.000 1.302 614 H CB 0.439 30.286 29.762 0.143 0.000 1.373 614 H HN 0.640 nan 8.280 nan 0.000 0.497 615 M N 0.943 120.431 119.600 -0.187 0.000 2.132 615 M HA -0.031 4.450 4.480 0.001 0.000 0.263 615 M C 2.564 178.581 176.300 -0.471 0.000 1.065 615 M CA 1.728 56.827 55.300 -0.335 0.000 1.122 615 M CB -0.604 31.942 32.600 -0.089 0.000 1.365 615 M HN 0.351 nan 8.290 nan 0.000 0.411 616 A N -0.683 121.633 122.820 -0.840 0.000 1.972 616 A HA -0.191 4.129 4.320 0.001 0.000 0.219 616 A C 2.181 179.581 177.584 -0.306 0.000 1.169 616 A CA 1.858 53.486 52.037 -0.681 0.000 0.635 616 A CB -0.600 17.829 19.000 -0.952 0.000 0.810 616 A HN 0.547 nan 8.150 nan 0.000 0.446 617 K N -1.173 119.109 120.400 -0.197 0.000 2.155 617 K HA -0.004 4.316 4.320 0.001 0.000 0.203 617 K C 2.019 178.606 176.600 -0.021 0.000 1.052 617 K CA 1.157 57.422 56.287 -0.037 0.000 0.948 617 K CB -0.153 32.402 32.500 0.092 0.000 0.728 617 K HN 0.320 nan 8.250 nan 0.000 0.448 618 M N 0.448 119.991 119.600 -0.095 0.000 2.099 618 M HA -0.111 4.369 4.480 0.001 0.000 0.262 618 M C 2.155 178.377 176.300 -0.130 0.000 1.067 618 M CA 1.585 56.852 55.300 -0.055 0.000 1.124 618 M CB -0.675 31.857 32.600 -0.113 0.000 1.353 618 M HN 0.129 nan 8.290 nan 0.000 0.410 619 I N 0.079 120.533 120.570 -0.194 0.000 2.163 619 I HA -0.338 3.833 4.170 0.001 0.000 0.243 619 I C 2.352 178.313 176.117 -0.260 0.000 1.085 619 I CA 1.224 62.390 61.300 -0.224 0.000 1.347 619 I CB -0.393 37.487 38.000 -0.200 0.000 1.044 619 I HN 0.201 nan 8.210 nan 0.000 0.408 620 I N 0.643 121.051 120.570 -0.271 0.000 2.194 620 I HA -0.345 3.825 4.170 0.001 0.000 0.246 620 I C 2.607 178.405 176.117 -0.531 0.000 1.093 620 I CA 1.407 62.431 61.300 -0.459 0.000 1.355 620 I CB -0.391 37.325 38.000 -0.474 0.000 1.046 620 I HN 0.206 nan 8.210 nan 0.000 0.413 621 K N 1.487 121.611 120.400 -0.459 0.000 2.057 621 K HA -0.125 4.195 4.320 0.001 0.000 0.206 621 K C 2.017 178.394 176.600 -0.371 0.000 1.050 621 K CA 1.432 57.373 56.287 -0.576 0.000 0.935 621 K CB -0.553 31.421 32.500 -0.877 0.000 0.715 621 K HN 0.241 nan 8.250 nan 0.000 0.439 622 L N 0.319 121.293 121.223 -0.415 0.000 2.017 622 L HA -0.155 4.185 4.340 0.001 0.000 0.208 622 L C 2.176 178.748 176.870 -0.497 0.000 1.073 622 L CA 1.673 56.074 54.840 -0.732 0.000 0.745 622 L CB -0.272 41.309 42.059 -0.797 0.000 0.894 622 L HN 0.231 nan 8.230 nan 0.000 0.432 623 I N -0.616 119.736 120.570 -0.363 0.000 2.179 623 I HA -0.313 3.857 4.170 0.001 0.000 0.242 623 I C 2.430 178.411 176.117 -0.228 0.000 1.088 623 I CA 1.644 62.799 61.300 -0.241 0.000 1.357 623 I CB -0.601 37.372 38.000 -0.046 0.000 1.051 623 I HN 0.224 nan 8.210 nan 0.000 0.409 624 T N 0.747 115.128 114.554 -0.287 0.000 2.665 624 T HA -0.249 4.101 4.350 0.001 0.000 0.268 624 T C 2.062 176.651 174.700 -0.185 0.000 1.035 624 T CA 1.682 63.642 62.100 -0.234 0.000 1.151 624 T CB -0.404 68.270 68.868 -0.323 0.000 0.862 624 T HN 0.511 nan 8.240 nan 0.000 0.438 625 A N 0.991 123.687 122.820 -0.206 0.000 1.877 625 A HA -0.037 4.284 4.320 0.001 0.000 0.216 625 A C 2.292 179.789 177.584 -0.144 0.000 1.186 625 A CA 1.324 53.301 52.037 -0.100 0.000 0.620 625 A CB -0.775 18.225 19.000 -0.001 0.000 0.822 625 A HN 0.543 nan 8.150 nan 0.000 0.443 626 I N -0.274 120.074 120.570 -0.370 0.000 2.163 626 I HA -0.223 3.947 4.170 0.001 0.000 0.243 626 I C 2.741 178.730 176.117 -0.213 0.000 1.085 626 I CA 1.188 62.233 61.300 -0.425 0.000 1.347 626 I CB -0.783 36.912 38.000 -0.509 0.000 1.044 626 I HN 0.398 nan 8.210 nan 0.000 0.408 627 G N 0.646 109.343 108.800 -0.171 0.000 2.446 627 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 627 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 627 G C 1.246 176.080 174.900 -0.110 0.000 1.168 627 G CA 1.125 46.147 45.100 -0.131 0.000 0.771 627 G HN 0.295 nan 8.290 nan 0.000 0.551 628 D N 0.002 120.383 120.400 -0.032 0.000 2.182 628 D HA -0.084 4.556 4.640 0.001 0.000 0.201 628 D C 2.660 179.012 176.300 0.086 0.000 0.986 628 D CA 0.651 54.703 54.000 0.087 0.000 0.847 628 D CB -0.277 40.563 40.800 0.067 0.000 0.942 628 D HN 0.247 nan 8.370 nan 0.000 0.467 629 V N 0.576 120.478 119.914 -0.019 0.000 2.251 629 V HA -0.145 3.976 4.120 0.001 0.000 0.237 629 V C 2.528 178.528 176.094 -0.157 0.000 1.040 629 V CA 1.516 63.759 62.300 -0.095 0.000 1.005 629 V CB -0.583 31.160 31.823 -0.134 0.000 0.645 629 V HN 0.148 nan 8.190 nan 0.000 0.458 630 V N 0.360 120.125 119.914 -0.250 0.000 2.759 630 V HA -0.101 4.020 4.120 0.001 0.000 0.256 630 V C 1.734 177.745 176.094 -0.139 0.000 1.080 630 V CA 2.055 64.242 62.300 -0.189 0.000 1.101 630 V CB -0.883 30.829 31.823 -0.185 0.000 0.698 630 V HN 0.619 nan 8.190 nan 0.000 0.477 631 N N 0.381 118.910 118.700 -0.285 0.000 2.461 631 N HA 0.044 4.785 4.740 0.001 0.000 0.188 631 N C 0.238 175.312 175.510 -0.725 0.000 1.134 631 N CA 0.782 53.569 53.050 -0.438 0.000 0.878 631 N CB -0.357 37.821 38.487 -0.514 0.000 0.972 631 N HN 0.829 nan 8.380 nan 0.000 0.456 632 H N -1.586 117.485 119.070 0.001 0.000 2.750 632 H HA 0.224 4.780 4.556 0.000 0.000 0.239 632 H C -0.927 174.414 175.328 0.022 0.000 1.210 632 H CA -0.465 55.585 56.048 0.003 0.000 0.936 632 H CB 0.762 30.516 29.762 -0.012 0.000 2.074 632 H HN -0.045 nan 8.280 nan 0.000 0.622 633 D N 1.437 121.891 120.400 0.090 0.000 2.392 633 D HA 0.105 4.745 4.640 0.001 0.000 0.228 633 D C -1.783 174.565 176.300 0.081 0.000 1.074 633 D CA -1.953 52.123 54.000 0.127 0.000 0.838 633 D CB 2.015 42.966 40.800 0.251 0.000 1.067 633 D HN 0.102 nan 8.370 nan 0.000 0.511 634 P HA -0.163 nan 4.420 nan 0.000 0.217 634 P C 1.431 178.741 177.300 0.016 0.000 1.148 634 P CA 0.643 63.761 63.100 0.031 0.000 0.834 634 P CB 0.511 32.226 31.700 0.026 0.000 0.783 635 V N -1.329 118.596 119.914 0.017 0.000 2.719 635 V HA -0.107 4.013 4.120 0.001 0.000 0.252 635 V C 2.286 178.374 176.094 -0.010 0.000 1.065 635 V CA 1.255 63.552 62.300 -0.006 0.000 1.086 635 V CB -0.728 31.081 31.823 -0.024 0.000 0.700 635 V HN -0.015 nan 8.190 nan 0.000 0.467 636 V N -0.057 119.867 119.914 0.017 0.000 2.591 636 V HA 0.136 4.257 4.120 0.001 0.000 0.249 636 V C 1.882 177.980 176.094 0.006 0.000 1.053 636 V CA 1.609 63.921 62.300 0.021 0.000 1.068 636 V CB -0.617 31.268 31.823 0.103 0.000 0.689 636 V HN 0.714 nan 8.190 nan 0.000 0.462 637 G N 1.536 110.338 108.800 0.004 0.000 2.574 637 G HA2 -0.375 3.586 3.960 0.001 0.000 0.301 637 G HA3 -0.375 3.586 3.960 0.001 0.000 0.301 637 G C 0.178 175.076 174.900 -0.003 0.000 1.166 637 G CA 0.639 45.732 45.100 -0.011 0.000 0.971 637 G HN 0.785 nan 8.290 nan 0.000 0.542 638 D N -0.755 119.656 120.400 0.018 0.000 2.837 638 D HA 0.457 5.097 4.640 0.001 0.000 0.340 638 D C 1.236 177.558 176.300 0.037 0.000 1.451 638 D CA -0.223 53.816 54.000 0.065 0.000 0.798 638 D CB 0.124 41.037 40.800 0.189 0.000 1.169 638 D HN 0.529 nan 8.370 nan 0.000 0.449 639 R N -0.228 120.272 120.500 -0.001 0.000 2.240 639 R HA 0.353 4.693 4.340 0.001 0.000 0.203 639 R C 0.173 176.448 176.300 -0.041 0.000 1.011 639 R CA 0.457 56.534 56.100 -0.039 0.000 1.007 639 R CB 0.531 30.783 30.300 -0.080 0.000 0.911 639 R HN 0.235 nan 8.270 nan 0.000 0.468 640 L N 0.639 121.852 121.223 -0.018 0.000 2.464 640 L HA 0.489 4.830 4.340 0.001 0.000 0.266 640 L C -1.188 175.665 176.870 -0.027 0.000 0.965 640 L CA -0.855 53.969 54.840 -0.026 0.000 0.833 640 L CB 1.859 43.916 42.059 -0.005 0.000 1.296 640 L HN -0.004 nan 8.230 nan 0.000 0.405 641 R N 3.276 123.743 120.500 -0.055 0.000 2.574 641 R HA 0.625 4.965 4.340 0.001 0.000 0.288 641 R C -1.528 174.712 176.300 -0.099 0.000 1.004 641 R CA -0.693 55.361 56.100 -0.075 0.000 0.895 641 R CB 2.551 32.806 30.300 -0.075 0.000 1.191 641 R HN 0.296 nan 8.270 nan 0.000 0.444 642 V N 5.052 124.902 119.914 -0.107 0.000 2.495 642 V HA 0.604 4.725 4.120 0.001 0.000 0.298 642 V C 0.102 176.146 176.094 -0.084 0.000 1.031 642 V CA -0.653 61.587 62.300 -0.101 0.000 0.871 642 V CB 2.029 33.784 31.823 -0.113 0.000 0.988 642 V HN 0.580 nan 8.190 nan 0.000 0.432 643 I N 4.235 124.763 120.570 -0.069 0.000 2.619 643 I HA 0.441 4.611 4.170 0.001 0.000 0.292 643 I C -1.302 174.811 176.117 -0.007 0.000 1.100 643 I CA -0.511 60.768 61.300 -0.035 0.000 1.043 643 I CB 2.526 40.487 38.000 -0.065 0.000 1.239 643 I HN 0.534 nan 8.210 nan 0.000 0.420 644 F N 6.688 126.590 119.950 -0.081 0.000 2.385 644 F HA 0.503 5.030 4.527 0.001 0.000 0.360 644 F C -0.644 175.127 175.800 -0.049 0.000 1.122 644 F CA -0.471 57.484 58.000 -0.075 0.000 1.090 644 F CB 0.746 39.691 39.000 -0.090 0.000 1.150 644 F HN 0.229 nan 8.300 nan 0.000 0.472 645 L N 6.195 127.066 121.223 -0.588 0.000 2.278 645 L HA 0.241 4.581 4.340 0.001 0.000 0.287 645 L C 0.294 176.980 176.870 -0.308 0.000 1.072 645 L CA -0.220 54.452 54.840 -0.279 0.000 0.819 645 L CB 0.768 42.747 42.059 -0.134 0.000 1.176 645 L HN 0.615 nan 8.230 nan 0.000 0.435 646 E N 4.724 124.853 120.200 -0.119 0.000 2.289 646 E HA -0.010 4.341 4.350 0.001 0.000 0.278 646 E C -0.054 176.573 176.600 0.045 0.000 1.032 646 E CA -0.382 56.017 56.400 -0.002 0.000 0.854 646 E CB 0.527 30.150 29.700 -0.127 0.000 1.046 646 E HN 0.576 nan 8.360 nan 0.000 0.409 647 N N 3.340 122.127 118.700 0.145 0.000 2.753 647 N HA -0.257 4.483 4.740 0.001 0.000 0.252 647 N C -1.724 173.891 175.510 0.174 0.000 1.071 647 N CA 0.431 53.578 53.050 0.162 0.000 0.690 647 N CB -1.732 36.845 38.487 0.151 0.000 0.906 647 N HN 0.518 nan 8.380 nan 0.000 0.552 648 Y N 1.934 122.253 120.300 0.032 0.000 2.442 648 Y HA 0.388 4.938 4.550 0.001 0.000 0.330 648 Y C 1.062 176.990 175.900 0.048 0.000 1.129 648 Y CA 0.394 58.506 58.100 0.020 0.000 1.365 648 Y CB 0.443 38.887 38.460 -0.026 0.000 1.233 648 Y HN 0.409 nan 8.280 nan 0.000 0.529 649 R N 2.533 122.731 120.500 -0.503 0.000 2.762 649 R HA 0.463 4.803 4.340 0.001 0.000 0.271 649 R C -0.523 175.397 176.300 -0.633 0.000 1.038 649 R CA -0.567 55.287 56.100 -0.410 0.000 0.906 649 R CB 0.397 30.612 30.300 -0.142 0.000 1.259 649 R HN 0.391 nan 8.270 nan 0.000 0.457 650 V N 0.936 120.446 119.914 -0.673 0.000 2.287 650 V HA -0.260 3.860 4.120 0.001 0.000 0.248 650 V C 2.260 178.184 176.094 -0.284 0.000 1.053 650 V CA 2.666 64.675 62.300 -0.486 0.000 1.027 650 V CB -0.805 30.693 31.823 -0.541 0.000 0.646 650 V HN 0.892 nan 8.190 nan 0.000 0.447 651 S N -0.732 114.825 115.700 -0.239 0.000 2.522 651 S HA 0.045 4.515 4.470 0.001 0.000 0.227 651 S C 1.855 176.380 174.600 -0.125 0.000 0.986 651 S CA 0.655 58.751 58.200 -0.174 0.000 0.929 651 S CB -0.208 62.911 63.200 -0.135 0.000 0.769 651 S HN 0.479 nan 8.310 nan 0.000 0.529 652 L N 0.892 122.051 121.223 -0.106 0.000 2.162 652 L HA 0.139 4.479 4.340 0.001 0.000 0.205 652 L C 2.783 179.671 176.870 0.030 0.000 1.086 652 L CA 1.198 56.029 54.840 -0.015 0.000 0.778 652 L CB -0.923 41.203 42.059 0.113 0.000 0.928 652 L HN 0.455 nan 8.230 nan 0.000 0.446 653 A N 0.099 122.928 122.820 0.015 0.000 1.908 653 A HA -0.251 4.069 4.320 0.001 0.000 0.218 653 A C 1.931 179.594 177.584 0.132 0.000 1.181 653 A CA 1.742 53.883 52.037 0.173 0.000 0.627 653 A CB -0.469 18.616 19.000 0.141 0.000 0.818 653 A HN 0.535 nan 8.150 nan 0.000 0.445 654 E N -0.391 119.855 120.200 0.077 0.000 2.268 654 E HA -0.148 4.202 4.350 0.001 0.000 0.195 654 E C 1.633 178.181 176.600 -0.087 0.000 0.995 654 E CA 1.048 57.441 56.400 -0.012 0.000 0.836 654 E CB 0.047 29.637 29.700 -0.182 0.000 0.763 654 E HN 0.512 nan 8.360 nan 0.000 0.491 655 K N 0.038 120.358 120.400 -0.133 0.000 2.244 655 K HA 0.059 4.380 4.320 0.001 0.000 0.200 655 K C 2.103 178.465 176.600 -0.397 0.000 1.052 655 K CA 0.319 56.492 56.287 -0.191 0.000 0.980 655 K CB -0.287 32.100 32.500 -0.189 0.000 0.838 655 K HN 0.029 nan 8.250 nan 0.000 0.481 656 V N 1.781 121.424 119.914 -0.452 0.000 2.535 656 V HA -0.033 4.087 4.120 0.001 0.000 0.246 656 V C 2.090 177.947 176.094 -0.396 0.000 1.045 656 V CA 0.759 62.617 62.300 -0.737 0.000 1.058 656 V CB -0.136 31.421 31.823 -0.444 0.000 0.689 656 V HN 0.119 nan 8.190 nan 0.000 0.461 657 I N 1.637 122.024 120.570 -0.306 0.000 2.163 657 I HA -0.107 4.064 4.170 0.001 0.000 0.243 657 I C -0.149 175.823 176.117 -0.241 0.000 1.085 657 I CA 1.784 62.813 61.300 -0.451 0.000 1.347 657 I CB -1.379 36.263 38.000 -0.597 0.000 1.044 657 I HN 0.381 nan 8.210 nan 0.000 0.408 658 P HA -0.099 nan 4.420 nan 0.000 0.230 658 P C 0.911 178.175 177.300 -0.060 0.000 1.158 658 P CA 1.313 64.366 63.100 -0.079 0.000 0.769 658 P CB 0.070 31.735 31.700 -0.059 0.000 0.807 659 A N -0.500 122.263 122.820 -0.096 0.000 2.238 659 A HA 0.447 4.768 4.320 0.001 0.000 0.210 659 A C 1.341 178.959 177.584 0.057 0.000 1.179 659 A CA 0.125 52.139 52.037 -0.037 0.000 0.827 659 A CB -0.532 18.475 19.000 0.012 0.000 0.856 659 A HN 0.260 nan 8.150 nan 0.000 0.488 660 A N -0.256 122.638 122.820 0.123 0.000 2.340 660 A HA 0.481 4.801 4.320 0.001 0.000 0.268 660 A C 0.352 178.062 177.584 0.210 0.000 1.100 660 A CA -0.123 52.062 52.037 0.248 0.000 0.803 660 A CB 0.367 19.649 19.000 0.470 0.000 1.043 660 A HN 0.255 nan 8.150 nan 0.000 0.488 661 D N 0.128 120.643 120.400 0.192 0.000 2.431 661 D HA 0.160 4.801 4.640 0.001 0.000 0.227 661 D C -0.121 176.400 176.300 0.368 0.000 1.030 661 D CA 0.636 54.806 54.000 0.284 0.000 0.897 661 D CB 0.401 41.191 40.800 -0.017 0.000 1.058 661 D HN 0.348 nan 8.370 nan 0.000 0.500 662 L N 1.024 122.323 121.223 0.126 0.000 2.381 662 L HA 0.301 4.641 4.340 0.001 0.000 0.274 662 L C -0.850 175.893 176.870 -0.212 0.000 0.988 662 L CA -0.310 54.529 54.840 -0.001 0.000 0.824 662 L CB 2.237 44.264 42.059 -0.054 0.000 1.263 662 L HN -0.205 nan 8.230 nan 0.000 0.410 663 S N 3.825 119.304 115.700 -0.367 0.000 2.429 663 S HA 0.332 4.802 4.470 0.001 0.000 0.302 663 S C -0.454 173.881 174.600 -0.442 0.000 1.115 663 S CA -0.629 57.099 58.200 -0.787 0.000 1.095 663 S CB 0.587 63.325 63.200 -0.770 0.000 0.987 663 S HN 0.516 nan 8.310 nan 0.000 0.474 664 E N 3.974 123.933 120.200 -0.402 0.000 2.046 664 E HA 0.237 4.588 4.350 0.001 0.000 0.279 664 E C -0.617 175.893 176.600 -0.149 0.000 0.989 664 E CA -0.460 55.833 56.400 -0.178 0.000 0.798 664 E CB 1.211 30.830 29.700 -0.135 0.000 1.086 664 E HN 0.578 nan 8.360 nan 0.000 0.399 665 Q N 2.668 122.432 119.800 -0.059 0.000 2.965 665 Q HA 0.264 4.604 4.340 0.001 0.000 0.288 665 Q C 0.658 176.650 176.000 -0.013 0.000 0.974 665 Q CA -0.133 55.640 55.803 -0.050 0.000 0.849 665 Q CB 0.192 28.911 28.738 -0.032 0.000 1.280 665 Q HN 0.604 nan 8.270 nan 0.000 0.441 666 I N -1.718 118.838 120.570 -0.024 0.000 3.805 666 I HA 0.269 4.439 4.170 0.001 0.000 0.337 666 I C 0.511 176.586 176.117 -0.070 0.000 1.539 666 I CA -0.606 60.695 61.300 0.001 0.000 1.176 666 I CB 0.165 38.181 38.000 0.026 0.000 1.248 666 I HN -0.015 nan 8.210 nan 0.000 0.437 667 S N 0.455 116.107 115.700 -0.080 0.000 2.584 667 S HA 0.214 4.684 4.470 0.001 0.000 0.270 667 S C 0.571 175.151 174.600 -0.032 0.000 1.346 667 S CA -0.347 57.822 58.200 -0.052 0.000 1.018 667 S CB 0.431 63.635 63.200 0.006 0.000 0.899 667 S HN 0.388 nan 8.310 nan 0.000 0.542 668 T N 2.397 116.972 114.554 0.035 0.000 2.928 668 T HA 0.416 4.767 4.350 0.001 0.000 0.305 668 T C 0.654 175.367 174.700 0.021 0.000 1.035 668 T CA 0.185 62.313 62.100 0.046 0.000 1.145 668 T CB 0.101 69.070 68.868 0.170 0.000 0.963 668 T HN 0.990 nan 8.240 nan 0.000 0.545 669 A N 2.269 125.072 122.820 -0.028 0.000 2.477 669 A HA 0.521 4.842 4.320 0.001 0.000 0.246 669 A C 1.602 179.180 177.584 -0.009 0.000 1.078 669 A CA 0.118 52.133 52.037 -0.036 0.000 0.770 669 A CB -0.754 18.210 19.000 -0.061 0.000 1.011 669 A HN 1.719 nan 8.150 nan 0.000 0.494 670 G N 1.278 110.072 108.800 -0.011 0.000 2.159 670 G HA2 -0.271 3.690 3.960 0.001 0.000 0.256 670 G HA3 -0.271 3.690 3.960 0.001 0.000 0.256 670 G C 0.798 175.690 174.900 -0.013 0.000 0.977 670 G CA 1.451 46.546 45.100 -0.008 0.000 0.652 670 G HN 1.956 nan 8.290 nan 0.000 0.531 671 T N -2.823 111.728 114.554 -0.006 0.000 3.023 671 T HA 0.410 4.760 4.350 0.001 0.000 0.249 671 T C 0.731 175.325 174.700 -0.177 0.000 1.050 671 T CA 0.996 63.033 62.100 -0.106 0.000 1.088 671 T CB 0.596 69.445 68.868 -0.031 0.000 0.946 671 T HN 0.325 nan 8.240 nan 0.000 0.480 672 E N 1.380 121.600 120.200 0.034 0.000 2.130 672 E HA 0.666 5.017 4.350 0.001 0.000 0.284 672 E C 1.036 177.612 176.600 -0.039 0.000 1.018 672 E CA -0.031 56.432 56.400 0.106 0.000 0.817 672 E CB 0.990 30.765 29.700 0.124 0.000 1.078 672 E HN 0.282 nan 8.360 nan 0.000 0.396 673 A N 3.382 126.118 122.820 -0.140 0.000 1.933 673 A HA -0.108 4.212 4.320 0.001 0.000 0.218 673 A C 1.886 179.360 177.584 -0.183 0.000 1.175 673 A CA 1.886 53.733 52.037 -0.317 0.000 0.628 673 A CB -0.108 18.479 19.000 -0.688 0.000 0.814 673 A HN 0.601 nan 8.150 nan 0.000 0.444 674 S N -3.852 111.797 115.700 -0.086 0.000 4.193 674 S HA 0.451 4.922 4.470 0.001 0.000 0.211 674 S C 0.658 175.256 174.600 -0.004 0.000 1.162 674 S CA 1.431 59.621 58.200 -0.016 0.000 1.039 674 S CB -0.141 63.070 63.200 0.019 0.000 1.371 674 S HN 2.219 nan 8.310 nan 0.000 0.550 675 G N -0.055 108.747 108.800 0.003 0.000 2.690 675 G HA2 0.023 3.984 3.960 0.001 0.000 0.686 675 G HA3 0.023 3.984 3.960 0.001 0.000 0.686 675 G C 0.058 174.953 174.900 -0.009 0.000 1.277 675 G CA 0.228 45.326 45.100 -0.003 0.000 0.799 675 G HN 0.709 nan 8.290 nan 0.000 0.613 676 T N -0.060 114.474 114.554 -0.034 0.000 3.211 676 T HA 0.272 4.623 4.350 0.001 0.000 0.261 676 T C 2.336 176.952 174.700 -0.141 0.000 0.880 676 T CA 1.532 63.591 62.100 -0.069 0.000 0.903 676 T CB -0.398 68.443 68.868 -0.046 0.000 1.264 676 T HN 1.682 nan 8.240 nan 0.000 0.532 677 G N 2.984 111.721 108.800 -0.104 0.000 2.450 677 G HA2 -0.271 3.689 3.960 0.001 0.000 0.220 677 G HA3 -0.271 3.689 3.960 0.001 0.000 0.220 677 G C 1.447 176.391 174.900 0.075 0.000 1.130 677 G CA 1.537 46.589 45.100 -0.079 0.000 0.760 677 G HN 0.632 nan 8.290 nan 0.000 0.557 678 N N 0.982 119.712 118.700 0.050 0.000 2.166 678 N HA -0.113 4.627 4.740 0.001 0.000 0.186 678 N C 2.037 177.558 175.510 0.019 0.000 1.019 678 N CA 1.608 54.695 53.050 0.061 0.000 0.856 678 N CB -0.667 37.808 38.487 -0.020 0.000 0.993 678 N HN 0.405 nan 8.380 nan 0.000 0.426 679 M N 0.167 119.717 119.600 -0.083 0.000 2.200 679 M HA 0.044 4.525 4.480 0.001 0.000 0.265 679 M C 1.917 178.171 176.300 -0.077 0.000 1.066 679 M CA 1.246 56.478 55.300 -0.113 0.000 1.127 679 M CB -0.178 32.374 32.600 -0.080 0.000 1.379 679 M HN 0.098 nan 8.290 nan 0.000 0.420 680 K N 0.191 120.475 120.400 -0.194 0.000 2.025 680 K HA -0.082 4.238 4.320 0.001 0.000 0.207 680 K C 1.730 178.199 176.600 -0.218 0.000 1.049 680 K CA 1.336 57.429 56.287 -0.323 0.000 0.933 680 K CB -0.255 31.809 32.500 -0.726 0.000 0.714 680 K HN 0.110 nan 8.250 nan 0.000 0.438 681 F N 1.283 121.160 119.950 -0.123 0.000 2.126 681 F HA -0.195 4.332 4.527 0.001 0.000 0.299 681 F C 2.541 178.305 175.800 -0.059 0.000 1.096 681 F CA 1.341 59.293 58.000 -0.080 0.000 1.255 681 F CB -0.316 38.628 39.000 -0.093 0.000 0.997 681 F HN 0.023 nan 8.300 nan 0.000 0.479 682 M N -0.525 119.151 119.600 0.126 0.000 2.117 682 M HA -0.214 4.266 4.480 0.001 0.000 0.262 682 M C 2.210 178.551 176.300 0.067 0.000 1.065 682 M CA 1.610 56.947 55.300 0.063 0.000 1.114 682 M CB -0.350 32.272 32.600 0.038 0.000 1.361 682 M HN 0.229 nan 8.290 nan 0.000 0.408 683 L N -0.079 121.186 121.223 0.070 0.000 2.376 683 L HA -0.118 4.222 4.340 0.001 0.000 0.219 683 L C 0.795 177.700 176.870 0.057 0.000 1.133 683 L CA 0.841 55.729 54.840 0.080 0.000 0.816 683 L CB -0.292 41.828 42.059 0.101 0.000 0.933 683 L HN 0.375 nan 8.230 nan 0.000 0.449 684 N N -0.110 118.615 118.700 0.042 0.000 2.273 684 N HA 0.108 4.848 4.740 0.001 0.000 0.231 684 N C 0.838 176.373 175.510 0.042 0.000 1.134 684 N CA 0.804 53.871 53.050 0.029 0.000 0.856 684 N CB 1.021 39.503 38.487 -0.009 0.000 1.068 684 N HN 0.336 nan 8.380 nan 0.000 0.510 685 G N 0.574 109.402 108.800 0.046 0.000 2.137 685 G HA2 -0.215 3.745 3.960 0.001 0.000 0.237 685 G HA3 -0.215 3.745 3.960 0.001 0.000 0.237 685 G C 0.031 174.995 174.900 0.106 0.000 1.002 685 G CA 0.189 45.319 45.100 0.050 0.000 0.702 685 G HN 0.524 nan 8.290 nan 0.000 0.515 686 A N -0.438 122.455 122.820 0.122 0.000 2.320 686 A HA 0.890 5.211 4.320 0.001 0.000 0.334 686 A C 0.371 177.947 177.584 -0.014 0.000 1.147 686 A CA -0.619 51.516 52.037 0.163 0.000 0.820 686 A CB 1.040 20.203 19.000 0.271 0.000 1.218 686 A HN 0.711 nan 8.150 nan 0.000 0.482 687 L N 0.623 121.799 121.223 -0.078 0.000 2.399 687 L HA 0.435 4.775 4.340 0.001 0.000 0.265 687 L C 0.161 176.904 176.870 -0.212 0.000 1.089 687 L CA -0.439 54.259 54.840 -0.237 0.000 0.802 687 L CB 1.570 43.443 42.059 -0.310 0.000 1.180 687 L HN 0.692 nan 8.230 nan 0.000 0.454 688 T N 2.707 117.018 114.554 -0.406 0.000 2.749 688 T HA 0.407 4.757 4.350 0.001 0.000 0.287 688 T C -0.254 174.382 174.700 -0.106 0.000 0.970 688 T CA -0.194 61.683 62.100 -0.372 0.000 0.980 688 T CB 1.026 69.491 68.868 -0.672 0.000 0.924 688 T HN 0.341 nan 8.240 nan 0.000 0.456 689 I N 3.348 123.925 120.570 0.010 0.000 2.304 689 I HA 0.676 4.847 4.170 0.001 0.000 0.291 689 I C 0.207 176.486 176.117 0.269 0.000 1.018 689 I CA 0.127 61.543 61.300 0.193 0.000 1.260 689 I CB 0.085 38.127 38.000 0.069 0.000 1.390 689 I HN 0.751 nan 8.210 nan 0.000 0.475 690 G N 4.098 113.104 108.800 0.344 0.000 2.660 690 G HA2 0.484 4.444 3.960 0.001 0.000 0.290 690 G HA3 0.484 4.444 3.960 0.001 0.000 0.290 690 G C -0.852 173.996 174.900 -0.087 0.000 1.432 690 G CA -0.422 44.785 45.100 0.178 0.000 0.807 690 G HN 0.586 nan 8.290 nan 0.000 0.485 691 T N -1.436 112.936 114.554 -0.304 0.000 2.847 691 T HA 0.495 4.846 4.350 0.001 0.000 0.279 691 T C 0.764 175.353 174.700 -0.185 0.000 0.984 691 T CA -0.697 61.147 62.100 -0.427 0.000 0.988 691 T CB 1.097 69.700 68.868 -0.442 0.000 1.040 691 T HN 0.244 nan 8.240 nan 0.000 0.528 692 M N 2.718 122.221 119.600 -0.163 0.000 3.436 692 M HA 0.323 4.803 4.480 0.001 0.000 0.240 692 M C -0.465 175.784 176.300 -0.086 0.000 1.469 692 M CA -0.027 55.209 55.300 -0.107 0.000 1.622 692 M CB -1.822 30.722 32.600 -0.094 0.000 1.098 692 M HN 0.729 nan 8.290 nan 0.000 0.568 693 D N -0.184 120.171 120.400 -0.075 0.000 2.671 693 D HA 0.688 5.329 4.640 0.001 0.000 0.232 693 D C 0.626 176.907 176.300 -0.031 0.000 1.114 693 D CA 0.744 54.716 54.000 -0.047 0.000 0.858 693 D CB 1.711 42.483 40.800 -0.047 0.000 1.544 693 D HN 0.590 nan 8.370 nan 0.000 0.471 694 G N 1.598 110.390 108.800 -0.014 0.000 2.582 694 G HA2 -0.198 3.762 3.960 0.001 0.000 0.288 694 G HA3 -0.198 3.762 3.960 0.001 0.000 0.288 694 G C 0.960 175.858 174.900 -0.004 0.000 1.247 694 G CA 0.820 45.917 45.100 -0.006 0.000 0.972 694 G HN 1.096 nan 8.290 nan 0.000 0.557 695 A N -0.253 122.563 122.820 -0.006 0.000 2.206 695 A HA 0.136 4.456 4.320 0.001 0.000 0.211 695 A C 2.063 179.597 177.584 -0.083 0.000 1.158 695 A CA 1.782 53.815 52.037 -0.007 0.000 0.761 695 A CB -0.449 18.549 19.000 -0.003 0.000 0.801 695 A HN 0.618 nan 8.150 nan 0.000 0.473 696 N N 0.413 119.066 118.700 -0.079 0.000 2.149 696 N HA -0.140 4.600 4.740 0.001 0.000 0.188 696 N C 1.578 176.967 175.510 -0.202 0.000 1.019 696 N CA 1.501 54.492 53.050 -0.098 0.000 0.857 696 N CB -0.541 37.931 38.487 -0.026 0.000 0.997 696 N HN 0.283 nan 8.380 nan 0.000 0.426 697 V N 1.255 121.091 119.914 -0.131 0.000 2.255 697 V HA -0.215 3.905 4.120 0.001 0.000 0.247 697 V C 1.996 178.011 176.094 -0.131 0.000 1.051 697 V CA 1.689 63.910 62.300 -0.133 0.000 1.018 697 V CB -0.463 31.318 31.823 -0.070 0.000 0.641 697 V HN 0.337 nan 8.190 nan 0.000 0.445 698 E N -0.729 119.447 120.200 -0.040 0.000 2.208 698 E HA -0.146 4.204 4.350 0.001 0.000 0.193 698 E C 2.189 178.874 176.600 0.142 0.000 0.988 698 E CA 1.093 57.537 56.400 0.074 0.000 0.828 698 E CB -0.132 29.697 29.700 0.214 0.000 0.763 698 E HN 0.566 nan 8.360 nan 0.000 0.478 699 M N 0.006 119.572 119.600 -0.056 0.000 2.193 699 M HA -0.046 4.435 4.480 0.001 0.000 0.265 699 M C 2.469 178.478 176.300 -0.486 0.000 1.071 699 M CA 1.215 56.411 55.300 -0.172 0.000 1.140 699 M CB -0.062 32.344 32.600 -0.323 0.000 1.369 699 M HN 0.110 nan 8.290 nan 0.000 0.423 700 A N 0.316 122.526 122.820 -1.017 0.000 1.902 700 A HA -0.225 4.096 4.320 0.001 0.000 0.217 700 A C 1.993 179.340 177.584 -0.395 0.000 1.181 700 A CA 1.997 53.383 52.037 -1.085 0.000 0.623 700 A CB -0.877 17.596 19.000 -0.879 0.000 0.818 700 A HN 0.583 nan 8.150 nan 0.000 0.443 701 E N -0.528 119.529 120.200 -0.239 0.000 2.160 701 E HA -0.240 4.111 4.350 0.001 0.000 0.195 701 E C 1.654 178.226 176.600 -0.047 0.000 0.991 701 E CA 1.417 57.752 56.400 -0.107 0.000 0.810 701 E CB -0.022 29.637 29.700 -0.068 0.000 0.742 701 E HN 0.576 nan 8.360 nan 0.000 0.466 702 E N -0.165 120.034 120.200 -0.001 0.000 2.086 702 E HA -0.033 4.318 4.350 0.001 0.000 0.190 702 E C 1.828 178.467 176.600 0.064 0.000 0.975 702 E CA 0.991 57.429 56.400 0.062 0.000 0.813 702 E CB -0.121 29.692 29.700 0.189 0.000 0.768 702 E HN 0.348 nan 8.360 nan 0.000 0.457 703 A N 0.549 123.412 122.820 0.072 0.000 2.072 703 A HA 0.333 4.653 4.320 0.001 0.000 0.216 703 A C 1.060 178.679 177.584 0.058 0.000 1.156 703 A CA 1.122 53.229 52.037 0.116 0.000 0.701 703 A CB -0.092 19.078 19.000 0.283 0.000 0.816 703 A HN 0.241 nan 8.150 nan 0.000 0.458 704 G N -0.638 108.161 108.800 -0.001 0.000 3.055 704 G HA2 -0.100 3.860 3.960 0.001 0.000 0.686 704 G HA3 -0.100 3.860 3.960 0.001 0.000 0.686 704 G C 0.085 174.964 174.900 -0.034 0.000 1.087 704 G CA 0.034 45.119 45.100 -0.025 0.000 0.779 704 G HN 0.147 nan 8.290 nan 0.000 0.599 705 E N 0.993 121.151 120.200 -0.070 0.000 2.147 705 E HA -0.228 4.122 4.350 0.001 0.000 0.199 705 E C 2.192 178.771 176.600 -0.035 0.000 1.005 705 E CA 2.040 58.400 56.400 -0.067 0.000 0.810 705 E CB 0.098 29.760 29.700 -0.064 0.000 0.736 705 E HN 0.785 nan 8.360 nan 0.000 0.460 706 E N 0.513 120.686 120.200 -0.045 0.000 2.267 706 E HA -0.120 4.230 4.350 0.001 0.000 0.197 706 E C 1.002 177.522 176.600 -0.133 0.000 0.998 706 E CA 0.722 57.076 56.400 -0.076 0.000 0.830 706 E CB -0.072 29.593 29.700 -0.058 0.000 0.751 706 E HN 0.140 nan 8.360 nan 0.000 0.491 707 N N -0.453 118.202 118.700 -0.074 0.000 2.321 707 N HA 0.176 4.916 4.740 0.001 0.000 0.242 707 N C -1.078 174.355 175.510 -0.128 0.000 1.141 707 N CA 0.034 53.013 53.050 -0.118 0.000 0.864 707 N CB 0.441 38.916 38.487 -0.019 0.000 1.100 707 N HN 0.033 nan 8.380 nan 0.000 0.510 708 F N -0.287 119.412 119.950 -0.420 0.000 2.581 708 F HA 0.362 4.890 4.527 0.000 0.000 0.311 708 F C -0.898 174.614 175.800 -0.481 0.000 1.113 708 F CA -0.937 56.855 58.000 -0.347 0.000 0.935 708 F CB 1.322 40.221 39.000 -0.168 0.000 1.232 708 F HN -0.191 nan 8.300 nan 0.000 0.445 709 F N 5.892 125.875 119.950 0.055 0.000 2.499 709 F HA 0.324 4.851 4.527 0.000 0.000 0.353 709 F C 0.086 176.021 175.800 0.225 0.000 1.196 709 F CA -0.470 57.592 58.000 0.103 0.000 1.244 709 F CB -0.322 38.687 39.000 0.015 0.000 1.577 709 F HN 0.041 nan 8.300 nan 0.000 0.614 710 I N 3.581 124.342 120.570 0.320 0.000 2.519 710 I HA 0.251 4.421 4.170 0.001 0.000 0.287 710 I C 0.076 176.371 176.117 0.298 0.000 1.047 710 I CA -0.308 61.137 61.300 0.242 0.000 1.381 710 I CB 0.499 38.566 38.000 0.111 0.000 1.417 710 I HN 0.373 nan 8.210 nan 0.000 0.540 711 F N 2.175 122.190 119.950 0.109 0.000 2.789 711 F HA 0.813 5.340 4.527 0.000 0.000 0.319 711 F C 0.170 176.010 175.800 0.066 0.000 1.168 711 F CA -0.416 57.640 58.000 0.092 0.000 0.934 711 F CB 0.712 39.783 39.000 0.119 0.000 1.375 711 F HN 0.774 nan 8.300 nan 0.000 0.480 712 G N 0.804 109.729 108.800 0.208 0.000 2.806 712 G HA2 -0.227 3.734 3.960 0.001 0.000 0.236 712 G HA3 -0.227 3.734 3.960 0.001 0.000 0.236 712 G C -0.568 174.305 174.900 -0.045 0.000 1.387 712 G CA -0.272 44.859 45.100 0.051 0.000 0.884 712 G HN 1.086 nan 8.290 nan 0.000 0.560 713 M N 0.184 119.763 119.600 -0.035 0.000 2.251 713 M HA 0.301 4.781 4.480 0.001 0.000 0.343 713 M C 1.161 177.424 176.300 -0.063 0.000 1.245 713 M CA 0.590 55.876 55.300 -0.025 0.000 1.061 713 M CB 0.308 32.900 32.600 -0.014 0.000 1.723 713 M HN 0.638 nan 8.290 nan 0.000 0.449 714 R N 1.450 121.929 120.500 -0.035 0.000 2.606 714 R HA 0.346 4.687 4.340 0.001 0.000 0.249 714 R C 1.010 177.292 176.300 -0.031 0.000 1.127 714 R CA -0.597 55.478 56.100 -0.042 0.000 1.133 714 R CB 0.797 31.080 30.300 -0.029 0.000 1.243 714 R HN 0.651 nan 8.270 nan 0.000 0.558 715 V N 0.616 120.512 119.914 -0.030 0.000 2.407 715 V HA -0.206 3.914 4.120 0.001 0.000 0.248 715 V C 2.172 178.258 176.094 -0.014 0.000 1.055 715 V CA 1.748 64.035 62.300 -0.023 0.000 1.049 715 V CB -0.662 31.146 31.823 -0.024 0.000 0.662 715 V HN 0.759 nan 8.190 nan 0.000 0.455 716 E N 0.808 121.002 120.200 -0.011 0.000 2.051 716 E HA -0.267 4.083 4.350 0.001 0.000 0.192 716 E C 1.875 178.479 176.600 0.008 0.000 0.991 716 E CA 1.817 58.215 56.400 -0.003 0.000 0.799 716 E CB -0.193 29.506 29.700 -0.003 0.000 0.748 716 E HN 0.624 nan 8.360 nan 0.000 0.449 717 D N 0.265 120.672 120.400 0.010 0.000 2.144 717 D HA -0.118 4.523 4.640 0.001 0.000 0.199 717 D C 2.145 178.461 176.300 0.027 0.000 0.984 717 D CA 0.713 54.729 54.000 0.027 0.000 0.834 717 D CB -0.193 40.626 40.800 0.031 0.000 0.955 717 D HN 0.095 nan 8.370 nan 0.000 0.465 718 V N 1.597 121.515 119.914 0.006 0.000 2.343 718 V HA -0.221 3.899 4.120 0.001 0.000 0.247 718 V C 1.864 177.959 176.094 0.002 0.000 1.051 718 V CA 1.756 64.052 62.300 -0.006 0.000 1.036 718 V CB -0.337 31.474 31.823 -0.020 0.000 0.654 718 V HN 0.026 nan 8.190 nan 0.000 0.451 719 D N -0.496 119.906 120.400 0.003 0.000 2.117 719 D HA -0.118 4.523 4.640 0.001 0.000 0.197 719 D C 2.392 178.705 176.300 0.021 0.000 0.987 719 D CA 0.843 54.846 54.000 0.006 0.000 0.829 719 D CB -0.242 40.558 40.800 0.001 0.000 0.961 719 D HN 0.283 nan 8.370 nan 0.000 0.460 720 R N 0.414 120.932 120.500 0.030 0.000 2.088 720 R HA -0.113 4.228 4.340 0.001 0.000 0.232 720 R C 2.312 178.649 176.300 0.062 0.000 1.136 720 R CA 0.484 56.610 56.100 0.043 0.000 0.926 720 R CB -1.450 28.880 30.300 0.050 0.000 0.837 720 R HN 0.234 nan 8.270 nan 0.000 0.429 721 L N 2.126 123.398 121.223 0.082 0.000 2.263 721 L HA -0.179 4.161 4.340 0.001 0.000 0.216 721 L C 1.399 178.341 176.870 0.120 0.000 1.111 721 L CA 1.793 56.712 54.840 0.131 0.000 0.773 721 L CB -0.548 41.604 42.059 0.155 0.000 0.906 721 L HN 0.093 nan 8.230 nan 0.000 0.439 722 D N -0.903 119.538 120.400 0.069 0.000 2.091 722 D HA -0.173 4.468 4.640 0.001 0.000 0.199 722 D C 2.125 178.459 176.300 0.057 0.000 0.980 722 D CA 1.331 55.365 54.000 0.057 0.000 0.831 722 D CB -0.070 40.744 40.800 0.022 0.000 0.987 722 D HN 0.501 nan 8.370 nan 0.000 0.460 723 Q N -0.051 119.776 119.800 0.045 0.000 2.297 723 Q HA -0.063 4.277 4.340 0.001 0.000 0.204 723 Q C 1.876 177.903 176.000 0.046 0.000 0.962 723 Q CA 0.634 56.460 55.803 0.038 0.000 0.879 723 Q CB 0.070 28.825 28.738 0.028 0.000 0.947 723 Q HN 0.269 nan 8.270 nan 0.000 0.462 724 R N -0.215 120.321 120.500 0.060 0.000 2.317 724 R HA 0.214 4.554 4.340 0.001 0.000 0.208 724 R C 0.087 176.429 176.300 0.069 0.000 0.914 724 R CA 0.593 56.728 56.100 0.059 0.000 1.060 724 R CB 0.291 30.629 30.300 0.062 0.000 1.015 724 R HN 0.011 nan 8.270 nan 0.000 0.498 725 G N 1.052 109.905 108.800 0.089 0.000 3.295 725 G HA2 -0.299 3.661 3.960 0.001 0.000 0.686 725 G HA3 -0.299 3.661 3.960 0.001 0.000 0.686 725 G C -1.310 173.678 174.900 0.146 0.000 0.958 725 G CA -0.236 44.923 45.100 0.099 0.000 0.787 725 G HN 0.349 nan 8.290 nan 0.000 0.523 726 Y N 3.720 124.058 120.300 0.063 0.000 2.365 726 Y HA 0.573 5.124 4.550 0.001 0.000 0.340 726 Y C 0.388 176.348 175.900 0.101 0.000 1.016 726 Y CA -1.026 57.133 58.100 0.099 0.000 1.196 726 Y CB 0.945 39.456 38.460 0.085 0.000 1.167 726 Y HN 0.630 nan 8.280 nan 0.000 0.509 727 N N 4.811 123.292 118.700 -0.364 0.000 2.483 727 N HA 0.396 5.136 4.740 0.001 0.000 0.267 727 N C 0.017 175.271 175.510 -0.427 0.000 0.998 727 N CA 0.066 52.902 53.050 -0.357 0.000 0.918 727 N CB 1.402 39.799 38.487 -0.150 0.000 1.215 727 N HN 0.849 nan 8.380 nan 0.000 0.500 728 A N 2.864 125.384 122.820 -0.501 0.000 2.121 728 A HA -0.160 4.161 4.320 0.001 0.000 0.218 728 A C 1.929 179.611 177.584 0.164 0.000 1.154 728 A CA 1.035 53.028 52.037 -0.073 0.000 0.679 728 A CB -0.207 18.681 19.000 -0.187 0.000 0.795 728 A HN 0.783 nan 8.150 nan 0.000 0.458 729 Q N 0.968 120.759 119.800 -0.014 0.000 2.172 729 Q HA -0.173 4.168 4.340 0.001 0.000 0.200 729 Q C 1.833 177.863 176.000 0.050 0.000 0.964 729 Q CA 1.899 57.712 55.803 0.017 0.000 0.855 729 Q CB -0.340 28.371 28.738 -0.044 0.000 0.918 729 Q HN 0.833 nan 8.270 nan 0.000 0.444 730 E N -1.402 118.753 120.200 -0.075 0.000 2.268 730 E HA -0.208 4.142 4.350 0.001 0.000 0.195 730 E C 1.230 177.693 176.600 -0.229 0.000 0.995 730 E CA 0.942 57.244 56.400 -0.163 0.000 0.836 730 E CB -0.403 29.141 29.700 -0.260 0.000 0.763 730 E HN 0.462 nan 8.360 nan 0.000 0.491 731 Y N 0.090 120.451 120.300 0.103 0.000 2.220 731 Y HA -0.155 4.395 4.550 0.001 0.000 0.291 731 Y C 2.278 178.200 175.900 0.036 0.000 1.129 731 Y CA 1.188 59.338 58.100 0.083 0.000 1.161 731 Y CB -0.738 37.794 38.460 0.120 0.000 0.997 731 Y HN 0.091 nan 8.280 nan 0.000 0.522 732 Y N 1.285 121.621 120.300 0.060 0.000 2.165 732 Y HA -0.296 4.254 4.550 0.000 0.000 0.286 732 Y C 1.862 177.740 175.900 -0.037 0.000 1.155 732 Y CA 1.940 60.017 58.100 -0.038 0.000 1.164 732 Y CB -0.277 38.210 38.460 0.046 0.000 0.978 732 Y HN 0.102 nan 8.280 nan 0.000 0.513 733 D N -0.215 120.304 120.400 0.198 0.000 2.103 733 D HA -0.148 4.493 4.640 0.001 0.000 0.199 733 D C 2.093 178.395 176.300 0.003 0.000 0.978 733 D CA 1.783 55.839 54.000 0.092 0.000 0.829 733 D CB -0.355 40.494 40.800 0.082 0.000 0.981 733 D HN 0.574 nan 8.370 nan 0.000 0.464 734 R N 0.281 120.779 120.500 -0.003 0.000 2.299 734 R HA 0.173 4.513 4.340 0.001 0.000 0.197 734 R C 0.413 176.708 176.300 -0.009 0.000 0.971 734 R CA 0.352 56.448 56.100 -0.006 0.000 1.030 734 R CB -0.036 30.264 30.300 -0.001 0.000 0.932 734 R HN 0.129 nan 8.270 nan 0.000 0.477 735 I N 1.652 122.199 120.570 -0.038 0.000 2.437 735 I HA 0.256 4.427 4.170 0.001 0.000 0.279 735 I C -2.071 173.953 176.117 -0.155 0.000 1.028 735 I CA -2.766 58.505 61.300 -0.048 0.000 1.142 735 I CB 2.502 40.512 38.000 0.018 0.000 1.266 735 I HN -0.222 nan 8.210 nan 0.000 0.461 736 P HA -0.134 nan 4.420 nan 0.000 0.216 736 P C 0.951 178.149 177.300 -0.170 0.000 1.153 736 P CA 1.343 64.349 63.100 -0.157 0.000 0.848 736 P CB 0.324 31.967 31.700 -0.095 0.000 0.787 737 E N -0.946 119.194 120.200 -0.099 0.000 2.150 737 E HA -0.128 4.222 4.350 0.001 0.000 0.193 737 E C 1.810 178.309 176.600 -0.167 0.000 0.985 737 E CA 0.534 56.887 56.400 -0.078 0.000 0.814 737 E CB -0.938 28.779 29.700 0.029 0.000 0.752 737 E HN 0.090 nan 8.360 nan 0.000 0.466 738 L N 1.178 122.222 121.223 -0.299 0.000 1.994 738 L HA -0.149 4.191 4.340 0.001 0.000 0.208 738 L C 2.285 178.888 176.870 -0.445 0.000 1.071 738 L CA 1.830 56.343 54.840 -0.546 0.000 0.745 738 L CB -0.427 41.186 42.059 -0.743 0.000 0.892 738 L HN -0.015 nan 8.230 nan 0.000 0.431 739 R N -0.792 119.352 120.500 -0.594 0.000 2.133 739 R HA -0.292 4.048 4.340 0.001 0.000 0.245 739 R C 2.405 178.467 176.300 -0.397 0.000 1.137 739 R CA 2.468 58.017 56.100 -0.919 0.000 0.947 739 R CB -0.500 29.333 30.300 -0.779 0.000 0.865 739 R HN 0.615 nan 8.270 nan 0.000 0.437 740 Q N 0.210 119.854 119.800 -0.260 0.000 2.061 740 Q HA -0.176 4.164 4.340 0.001 0.000 0.204 740 Q C 2.218 178.172 176.000 -0.078 0.000 0.984 740 Q CA 2.055 57.771 55.803 -0.145 0.000 0.846 740 Q CB -0.102 28.560 28.738 -0.127 0.000 0.902 740 Q HN 0.488 nan 8.270 nan 0.000 0.421 741 I N 0.723 121.255 120.570 -0.063 0.000 2.208 741 I HA -0.285 3.885 4.170 0.001 0.000 0.245 741 I C 2.196 178.374 176.117 0.102 0.000 1.097 741 I CA 0.744 62.065 61.300 0.036 0.000 1.363 741 I CB -0.553 37.453 38.000 0.009 0.000 1.051 741 I HN 0.292 nan 8.210 nan 0.000 0.413 742 I N 0.739 121.374 120.570 0.108 0.000 2.286 742 I HA -0.221 3.950 4.170 0.001 0.000 0.248 742 I C 2.518 178.756 176.117 0.202 0.000 1.115 742 I CA 1.556 62.989 61.300 0.223 0.000 1.392 742 I CB -1.228 37.032 38.000 0.433 0.000 1.065 742 I HN 0.275 nan 8.210 nan 0.000 0.418 743 E N 0.466 120.757 120.200 0.151 0.000 2.230 743 E HA -0.105 4.245 4.350 0.001 0.000 0.192 743 E C 2.174 178.826 176.600 0.088 0.000 0.987 743 E CA 0.469 56.943 56.400 0.123 0.000 0.841 743 E CB -0.021 29.732 29.700 0.089 0.000 0.783 743 E HN 0.580 nan 8.360 nan 0.000 0.481 744 Q N 0.185 120.015 119.800 0.050 0.000 2.079 744 Q HA -0.058 4.283 4.340 0.001 0.000 0.200 744 Q C 2.397 178.550 176.000 0.255 0.000 0.974 744 Q CA 0.813 56.630 55.803 0.024 0.000 0.840 744 Q CB -0.078 28.575 28.738 -0.142 0.000 0.898 744 Q HN 0.254 nan 8.270 nan 0.000 0.430 745 L N 0.376 121.788 121.223 0.315 0.000 1.989 745 L HA -0.234 4.106 4.340 0.001 0.000 0.211 745 L C 2.483 179.540 176.870 0.312 0.000 1.071 745 L CA 1.247 56.308 54.840 0.369 0.000 0.749 745 L CB -0.473 41.742 42.059 0.259 0.000 0.890 745 L HN 0.201 nan 8.230 nan 0.000 0.431 746 S N -0.172 115.662 115.700 0.223 0.000 2.356 746 S HA -0.147 4.323 4.470 0.001 0.000 0.223 746 S C 1.855 176.548 174.600 0.154 0.000 1.032 746 S CA 1.549 59.854 58.200 0.175 0.000 1.005 746 S CB -0.276 63.009 63.200 0.143 0.000 0.867 746 S HN 0.596 nan 8.310 nan 0.000 0.449 747 S N 0.705 116.490 115.700 0.143 0.000 2.720 747 S HA 0.327 4.798 4.470 0.001 0.000 0.222 747 S C 1.355 176.037 174.600 0.138 0.000 0.958 747 S CA 0.470 58.739 58.200 0.115 0.000 0.943 747 S CB -0.473 62.773 63.200 0.078 0.000 0.779 747 S HN 0.785 nan 8.310 nan 0.000 0.526 748 G N 0.782 109.689 108.800 0.180 0.000 2.179 748 G HA2 -0.354 3.606 3.960 0.001 0.000 0.257 748 G HA3 -0.354 3.606 3.960 0.001 0.000 0.257 748 G C 0.211 175.223 174.900 0.186 0.000 1.010 748 G CA 0.282 45.487 45.100 0.174 0.000 0.736 748 G HN 0.529 nan 8.290 nan 0.000 0.513 749 F N 0.390 120.339 119.950 -0.002 0.000 2.065 749 F HA 0.040 4.567 4.527 0.001 0.000 0.298 749 F C 2.221 177.889 175.800 -0.219 0.000 1.112 749 F CA 2.365 60.246 58.000 -0.198 0.000 1.212 749 F CB -0.368 38.378 39.000 -0.424 0.000 0.975 749 F HN 0.175 nan 8.300 nan 0.000 0.476 750 F N -0.082 119.946 119.950 0.131 0.000 2.456 750 F HA 0.052 4.580 4.527 0.000 0.000 0.298 750 F C 1.628 177.490 175.800 0.104 0.000 1.104 750 F CA 0.893 58.915 58.000 0.037 0.000 1.435 750 F CB -0.735 38.347 39.000 0.137 0.000 1.078 750 F HN 0.014 nan 8.300 nan 0.000 0.546 751 S N 0.146 116.023 115.700 0.295 0.000 2.062 751 S HA 0.282 4.753 4.470 0.001 0.000 0.163 751 S C -1.851 172.783 174.600 0.056 0.000 1.612 751 S CA -1.146 57.129 58.200 0.126 0.000 1.251 751 S CB 0.670 63.853 63.200 -0.029 0.000 1.174 751 S HN -0.022 nan 8.310 nan 0.000 0.428 752 P HA -0.070 nan 4.420 nan 0.000 0.218 752 P C 0.991 178.297 177.300 0.011 0.000 1.149 752 P CA 0.945 64.050 63.100 0.008 0.000 0.817 752 P CB 0.237 31.917 31.700 -0.034 0.000 0.785 753 K N -0.396 120.009 120.400 0.009 0.000 2.366 753 K HA -0.046 4.274 4.320 0.001 0.000 0.198 753 K C 0.769 177.374 176.600 0.010 0.000 1.044 753 K CA 0.999 57.292 56.287 0.010 0.000 0.973 753 K CB -0.146 32.361 32.500 0.013 0.000 0.767 753 K HN 0.203 nan 8.250 nan 0.000 0.475 754 Q N -1.869 117.933 119.800 0.003 0.000 2.632 754 Q HA 0.230 4.570 4.340 0.001 0.000 0.352 754 Q C -2.269 173.724 176.000 -0.012 0.000 0.821 754 Q CA -1.135 54.664 55.803 -0.007 0.000 1.060 754 Q CB 1.244 29.973 28.738 -0.015 0.000 1.429 754 Q HN -0.096 nan 8.270 nan 0.000 0.391 755 P HA -0.278 nan 4.420 nan 0.000 0.224 755 P C -0.202 177.124 177.300 0.043 0.000 1.154 755 P CA 1.983 65.109 63.100 0.043 0.000 0.868 755 P CB 0.034 31.766 31.700 0.053 0.000 0.782 756 D N -2.796 117.614 120.400 0.017 0.000 2.587 756 D HA 0.060 4.700 4.640 0.001 0.000 0.233 756 D C 1.208 177.484 176.300 -0.040 0.000 1.213 756 D CA -0.397 53.617 54.000 0.024 0.000 0.827 756 D CB -0.751 40.074 40.800 0.042 0.000 1.006 756 D HN -0.025 nan 8.370 nan 0.000 0.490 757 L N -0.419 120.696 121.223 -0.179 0.000 2.127 757 L HA 0.010 4.350 4.340 0.001 0.000 0.211 757 L C 0.543 177.145 176.870 -0.447 0.000 1.089 757 L CA 1.594 56.214 54.840 -0.367 0.000 0.757 757 L CB -0.365 41.296 42.059 -0.663 0.000 0.899 757 L HN 0.124 nan 8.230 nan 0.000 0.434 758 F N -1.165 118.841 119.950 0.094 0.000 2.730 758 F HA 0.225 4.752 4.527 0.000 0.000 0.295 758 F C 1.789 177.636 175.800 0.079 0.000 1.143 758 F CA -0.580 57.462 58.000 0.070 0.000 1.367 758 F CB -0.670 38.360 39.000 0.049 0.000 0.970 758 F HN -0.106 nan 8.300 nan 0.000 0.514 759 K N 0.959 121.467 120.400 0.180 0.000 2.034 759 K HA -0.214 4.106 4.320 0.001 0.000 0.214 759 K C 1.435 178.135 176.600 0.167 0.000 1.051 759 K CA 2.040 58.418 56.287 0.151 0.000 0.931 759 K CB -0.366 32.203 32.500 0.115 0.000 0.715 759 K HN 0.344 nan 8.250 nan 0.000 0.446 760 D N 0.375 120.889 120.400 0.190 0.000 2.104 760 D HA -0.183 4.457 4.640 0.001 0.000 0.194 760 D C 2.153 178.546 176.300 0.155 0.000 0.994 760 D CA 1.318 55.442 54.000 0.206 0.000 0.830 760 D CB -0.232 40.729 40.800 0.268 0.000 0.959 760 D HN 0.266 nan 8.370 nan 0.000 0.452 761 I N 1.073 121.727 120.570 0.139 0.000 2.202 761 I HA -0.216 3.954 4.170 0.001 0.000 0.242 761 I C 2.624 178.751 176.117 0.016 0.000 1.091 761 I CA 0.611 61.948 61.300 0.062 0.000 1.368 761 I CB -0.251 37.776 38.000 0.045 0.000 1.058 761 I HN -0.130 nan 8.210 nan 0.000 0.410 762 V N 1.093 121.045 119.914 0.063 0.000 2.255 762 V HA -0.288 3.832 4.120 0.001 0.000 0.247 762 V C 2.174 178.232 176.094 -0.061 0.000 1.051 762 V CA 2.023 64.339 62.300 0.026 0.000 1.018 762 V CB -0.944 30.935 31.823 0.093 0.000 0.641 762 V HN 0.453 nan 8.190 nan 0.000 0.445 763 N N -0.325 118.385 118.700 0.016 0.000 2.205 763 N HA -0.167 4.573 4.740 0.001 0.000 0.186 763 N C 1.771 177.161 175.510 -0.201 0.000 1.015 763 N CA 1.564 54.646 53.050 0.053 0.000 0.862 763 N CB -0.323 38.300 38.487 0.228 0.000 0.986 763 N HN 0.391 nan 8.380 nan 0.000 0.429 764 M N 0.242 119.684 119.600 -0.262 0.000 2.200 764 M HA -0.051 4.429 4.480 0.001 0.000 0.265 764 M C 1.494 177.510 176.300 -0.474 0.000 1.066 764 M CA 0.905 55.863 55.300 -0.569 0.000 1.127 764 M CB -0.350 32.176 32.600 -0.124 0.000 1.379 764 M HN -0.034 nan 8.290 nan 0.000 0.420 765 L N 0.892 121.893 121.223 -0.370 0.000 2.017 765 L HA -0.180 4.161 4.340 0.001 0.000 0.208 765 L C 2.459 178.920 176.870 -0.682 0.000 1.073 765 L CA 1.688 56.205 54.840 -0.539 0.000 0.745 765 L CB -1.074 40.664 42.059 -0.534 0.000 0.894 765 L HN 0.308 nan 8.230 nan 0.000 0.432 766 M N -1.780 117.468 119.600 -0.587 0.000 2.156 766 M HA -0.108 4.372 4.480 0.001 0.000 0.264 766 M C 2.093 178.018 176.300 -0.625 0.000 1.067 766 M CA 1.494 56.420 55.300 -0.623 0.000 1.131 766 M CB -1.056 31.080 32.600 -0.773 0.000 1.368 766 M HN 0.309 nan 8.290 nan 0.000 0.416 767 H N -0.983 117.938 119.070 -0.248 0.000 2.639 767 H HA 0.152 4.708 4.556 0.000 0.000 0.267 767 H C 0.010 175.281 175.328 -0.095 0.000 0.958 767 H CA 0.800 56.767 56.048 -0.136 0.000 1.221 767 H CB 0.192 29.965 29.762 0.018 0.000 1.446 767 H HN 0.598 nan 8.280 nan 0.000 0.512 768 H N -1.731 117.384 119.070 0.075 0.000 2.922 768 H HA 0.247 4.803 4.556 0.000 0.000 0.219 768 H C -1.582 173.766 175.328 0.033 0.000 1.356 768 H CA -0.674 55.413 56.048 0.065 0.000 1.424 768 H CB -0.342 29.458 29.762 0.064 0.000 2.045 768 H HN -0.119 nan 8.280 nan 0.000 0.595 769 D N 1.375 121.764 120.400 -0.018 0.000 2.412 769 D HA 0.220 4.860 4.640 0.001 0.000 0.224 769 D C 0.779 177.019 176.300 -0.100 0.000 1.093 769 D CA -0.667 53.311 54.000 -0.037 0.000 0.850 769 D CB 0.990 41.764 40.800 -0.044 0.000 1.046 769 D HN 0.548 nan 8.370 nan 0.000 0.507 770 R N 2.356 122.674 120.500 -0.303 0.000 2.235 770 R HA 0.029 4.369 4.340 0.001 0.000 0.213 770 R C 0.698 176.471 176.300 -0.880 0.000 1.059 770 R CA 0.840 56.532 56.100 -0.679 0.000 0.997 770 R CB 0.139 29.788 30.300 -1.084 0.000 0.884 770 R HN 0.391 nan 8.270 nan 0.000 0.462 771 F N 0.521 120.452 119.950 -0.033 0.000 2.678 771 F HA 0.268 4.795 4.527 0.001 0.000 0.305 771 F C 0.122 175.839 175.800 -0.139 0.000 1.090 771 F CA -0.624 57.348 58.000 -0.047 0.000 1.272 771 F CB 0.160 39.184 39.000 0.040 0.000 1.060 771 F HN -0.241 nan 8.300 nan 0.000 0.576 772 K N -0.174 120.109 120.400 -0.195 0.000 3.257 772 K HA -0.173 4.148 4.320 0.001 0.000 0.270 772 K C 0.990 177.514 176.600 -0.127 0.000 0.984 772 K CA 0.164 56.180 56.287 -0.452 0.000 0.739 772 K CB -1.831 30.273 32.500 -0.660 0.000 1.351 772 K HN 0.174 nan 8.250 nan 0.000 0.463 773 V N 0.079 120.002 119.914 0.016 0.000 2.231 773 V HA -0.303 3.817 4.120 0.001 0.000 0.248 773 V C 2.059 178.314 176.094 0.269 0.000 1.054 773 V CA 2.301 64.678 62.300 0.128 0.000 1.015 773 V CB -0.478 31.419 31.823 0.123 0.000 0.638 773 V HN 0.403 nan 8.190 nan 0.000 0.444 774 F N 0.807 120.775 119.950 0.029 0.000 2.202 774 F HA -0.151 4.376 4.527 0.000 0.000 0.301 774 F C 2.435 178.007 175.800 -0.381 0.000 1.082 774 F CA 0.952 58.914 58.000 -0.062 0.000 1.313 774 F CB -1.541 37.476 39.000 0.029 0.000 1.024 774 F HN 0.181 nan 8.300 nan 0.000 0.495 775 A N -0.877 121.820 122.820 -0.204 0.000 2.121 775 A HA -0.126 4.195 4.320 0.001 0.000 0.218 775 A C 1.621 179.134 177.584 -0.118 0.000 1.154 775 A CA 1.687 53.449 52.037 -0.458 0.000 0.679 775 A CB -0.424 18.498 19.000 -0.129 0.000 0.795 775 A HN 0.201 nan 8.150 nan 0.000 0.458 776 D N -2.975 117.448 120.400 0.038 0.000 2.433 776 D HA 0.093 4.734 4.640 0.001 0.000 0.211 776 D C 1.112 177.543 176.300 0.218 0.000 1.114 776 D CA -0.099 54.007 54.000 0.177 0.000 0.837 776 D CB -0.078 40.873 40.800 0.251 0.000 0.984 776 D HN 0.507 nan 8.370 nan 0.000 0.505 777 Y N 2.007 122.343 120.300 0.060 0.000 2.128 777 Y HA -0.201 4.349 4.550 0.001 0.000 0.284 777 Y C 2.067 178.014 175.900 0.078 0.000 1.154 777 Y CA 1.899 60.047 58.100 0.080 0.000 1.149 777 Y CB 0.173 38.637 38.460 0.008 0.000 0.976 777 Y HN -0.082 nan 8.280 nan 0.000 0.505 778 E N -0.031 120.179 120.200 0.018 0.000 2.017 778 E HA -0.249 4.101 4.350 0.001 0.000 0.193 778 E C 2.233 178.768 176.600 -0.108 0.000 0.997 778 E CA 1.440 57.793 56.400 -0.078 0.000 0.804 778 E CB -0.200 29.563 29.700 0.106 0.000 0.757 778 E HN 0.593 nan 8.360 nan 0.000 0.448 779 E N -0.410 119.805 120.200 0.024 0.000 2.171 779 E HA -0.230 4.120 4.350 0.001 0.000 0.197 779 E C 1.874 178.430 176.600 -0.074 0.000 0.997 779 E CA 1.006 57.444 56.400 0.064 0.000 0.810 779 E CB -0.114 29.726 29.700 0.234 0.000 0.738 779 E HN 0.268 nan 8.360 nan 0.000 0.467 780 Y N 1.055 121.104 120.300 -0.419 0.000 2.092 780 Y HA -0.233 4.318 4.550 0.000 0.000 0.282 780 Y C 2.335 177.856 175.900 -0.632 0.000 1.126 780 Y CA 1.656 59.235 58.100 -0.869 0.000 1.111 780 Y CB -0.739 37.219 38.460 -0.837 0.000 0.987 780 Y HN -0.054 nan 8.280 nan 0.000 0.489 781 V N -0.779 118.732 119.914 -0.670 0.000 2.392 781 V HA -0.253 3.867 4.120 0.001 0.000 0.249 781 V C 2.140 177.998 176.094 -0.393 0.000 1.059 781 V CA 2.140 64.100 62.300 -0.566 0.000 1.051 781 V CB -0.791 30.761 31.823 -0.450 0.000 0.658 781 V HN 0.212 nan 8.190 nan 0.000 0.455 782 K N 0.184 120.407 120.400 -0.295 0.000 2.001 782 K HA -0.069 4.251 4.320 0.001 0.000 0.208 782 K C 2.356 178.846 176.600 -0.183 0.000 1.048 782 K CA 1.674 57.857 56.287 -0.174 0.000 0.932 782 K CB -1.508 30.939 32.500 -0.089 0.000 0.715 782 K HN 0.613 nan 8.250 nan 0.000 0.437 783 C N 2.025 121.197 119.300 -0.214 0.000 2.411 783 C HA -0.099 4.362 4.460 0.001 0.000 0.279 783 C C 2.636 177.423 174.990 -0.339 0.000 1.288 783 C CA 0.829 59.746 59.018 -0.168 0.000 1.764 783 C CB -0.617 27.061 27.740 -0.103 0.000 1.974 783 C HN 0.403 nan 8.230 nan 0.000 0.498 784 Q N 0.171 119.648 119.800 -0.539 0.000 2.167 784 Q HA -0.143 4.197 4.340 0.001 0.000 0.202 784 Q C 1.953 177.754 176.000 -0.330 0.000 0.970 784 Q CA 1.424 56.871 55.803 -0.593 0.000 0.855 784 Q CB -0.358 27.790 28.738 -0.983 0.000 0.911 784 Q HN 0.752 nan 8.270 nan 0.000 0.438 785 E N 0.253 120.323 120.200 -0.216 0.000 2.150 785 E HA -0.116 4.234 4.350 0.001 0.000 0.193 785 E C 2.017 178.571 176.600 -0.076 0.000 0.985 785 E CA 0.531 56.867 56.400 -0.107 0.000 0.814 785 E CB 0.098 29.755 29.700 -0.071 0.000 0.752 785 E HN 0.237 nan 8.360 nan 0.000 0.466 786 R N 0.161 120.608 120.500 -0.089 0.000 2.115 786 R HA -0.043 4.297 4.340 0.001 0.000 0.226 786 R C 2.313 178.579 176.300 -0.057 0.000 1.100 786 R CA 0.725 56.830 56.100 0.009 0.000 0.980 786 R CB -0.212 30.175 30.300 0.144 0.000 0.875 786 R HN 0.078 nan 8.270 nan 0.000 0.445 787 V N 0.625 120.313 119.914 -0.377 0.000 2.307 787 V HA -0.204 3.916 4.120 0.001 0.000 0.245 787 V C 2.189 178.251 176.094 -0.054 0.000 1.045 787 V CA 1.856 63.823 62.300 -0.556 0.000 1.024 787 V CB -0.249 31.128 31.823 -0.742 0.000 0.651 787 V HN 0.262 nan 8.190 nan 0.000 0.449 788 S N -0.064 115.603 115.700 -0.056 0.000 2.383 788 S HA -0.132 4.338 4.470 0.001 0.000 0.227 788 S C 2.185 176.874 174.600 0.149 0.000 1.026 788 S CA 1.320 59.552 58.200 0.054 0.000 0.981 788 S CB -0.416 62.784 63.200 0.000 0.000 0.818 788 S HN 0.636 nan 8.310 nan 0.000 0.472 789 A N 1.518 124.408 122.820 0.117 0.000 1.858 789 A HA -0.075 4.245 4.320 0.001 0.000 0.216 789 A C 2.115 179.811 177.584 0.187 0.000 1.190 789 A CA 1.508 53.627 52.037 0.137 0.000 0.617 789 A CB -0.889 18.175 19.000 0.107 0.000 0.827 789 A HN 0.424 nan 8.150 nan 0.000 0.443 790 L N -1.737 119.638 121.223 0.254 0.000 2.079 790 L HA -0.183 4.157 4.340 0.001 0.000 0.210 790 L C 2.285 179.458 176.870 0.504 0.000 1.081 790 L CA 2.265 57.325 54.840 0.366 0.000 0.752 790 L CB -0.844 41.490 42.059 0.458 0.000 0.896 790 L HN 0.519 nan 8.230 nan 0.000 0.433 791 Y N 0.152 120.642 120.300 0.316 0.000 2.333 791 Y HA -0.240 4.311 4.550 0.001 0.000 0.290 791 Y C 2.496 178.353 175.900 -0.072 0.000 1.144 791 Y CA 1.854 59.896 58.100 -0.097 0.000 1.228 791 Y CB -0.114 38.167 38.460 -0.297 0.000 0.985 791 Y HN 0.215 nan 8.280 nan 0.000 0.542 792 K N 0.280 120.715 120.400 0.058 0.000 2.439 792 K HA -0.110 4.210 4.320 0.001 0.000 0.197 792 K C 0.073 176.637 176.600 -0.060 0.000 1.041 792 K CA 0.561 56.847 56.287 -0.002 0.000 0.970 792 K CB -0.095 32.457 32.500 0.087 0.000 0.773 792 K HN 0.084 nan 8.250 nan 0.000 0.479 793 N N 0.338 119.032 118.700 -0.010 0.000 2.706 793 N HA 0.178 4.918 4.740 0.001 0.000 0.240 793 N C -2.483 173.038 175.510 0.018 0.000 1.039 793 N CA -2.390 50.662 53.050 0.003 0.000 0.888 793 N CB 1.525 40.044 38.487 0.053 0.000 1.128 793 N HN -0.179 nan 8.380 nan 0.000 0.512 794 P HA -0.132 nan 4.420 nan 0.000 0.216 794 P C 1.282 178.608 177.300 0.043 0.000 1.150 794 P CA 1.122 64.177 63.100 -0.074 0.000 0.843 794 P CB 0.391 32.006 31.700 -0.143 0.000 0.787 795 R N -0.262 120.256 120.500 0.030 0.000 2.073 795 R HA -0.115 4.225 4.340 0.001 0.000 0.229 795 R C 1.984 178.324 176.300 0.067 0.000 1.120 795 R CA 1.206 57.330 56.100 0.040 0.000 0.967 795 R CB -0.284 30.030 30.300 0.024 0.000 0.862 795 R HN 0.043 nan 8.270 nan 0.000 0.436 796 E N -0.427 119.821 120.200 0.080 0.000 2.107 796 E HA -0.195 4.156 4.350 0.001 0.000 0.191 796 E C 1.437 178.095 176.600 0.096 0.000 0.982 796 E CA 0.742 57.188 56.400 0.076 0.000 0.809 796 E CB -0.346 29.399 29.700 0.074 0.000 0.756 796 E HN 0.379 nan 8.360 nan 0.000 0.459 797 W N 1.975 123.274 121.300 -0.003 0.000 2.311 797 W HA -0.244 4.416 4.660 0.000 0.000 0.326 797 W C 2.437 178.960 176.519 0.007 0.000 1.239 797 W CA 2.838 60.194 57.345 0.019 0.000 1.258 797 W CB -0.697 28.743 29.460 -0.033 0.000 1.165 797 W HN 0.009 nan 8.180 nan 0.000 0.466 798 T N 0.425 115.147 114.554 0.280 0.000 2.759 798 T HA -0.238 4.112 4.350 0.001 0.000 0.269 798 T C 1.753 176.458 174.700 0.008 0.000 1.042 798 T CA 1.699 63.874 62.100 0.126 0.000 1.140 798 T CB -0.358 68.567 68.868 0.094 0.000 0.864 798 T HN 0.180 nan 8.240 nan 0.000 0.455 799 R N 0.224 120.731 120.500 0.012 0.000 2.115 799 R HA 0.103 4.443 4.340 0.001 0.000 0.230 799 R C 2.461 178.741 176.300 -0.034 0.000 1.111 799 R CA 1.021 57.124 56.100 0.005 0.000 0.976 799 R CB -0.334 29.977 30.300 0.018 0.000 0.870 799 R HN 0.404 nan 8.270 nan 0.000 0.445 800 M N 0.331 119.873 119.600 -0.097 0.000 2.200 800 M HA -0.105 4.375 4.480 0.001 0.000 0.265 800 M C 1.943 178.131 176.300 -0.186 0.000 1.066 800 M CA 1.172 56.373 55.300 -0.164 0.000 1.127 800 M CB 0.282 32.715 32.600 -0.280 0.000 1.379 800 M HN -0.064 nan 8.290 nan 0.000 0.420 801 V N 0.776 120.564 119.914 -0.209 0.000 2.343 801 V HA -0.291 3.829 4.120 0.001 0.000 0.247 801 V C 2.165 178.217 176.094 -0.070 0.000 1.051 801 V CA 1.804 64.005 62.300 -0.164 0.000 1.036 801 V CB -0.604 31.158 31.823 -0.102 0.000 0.654 801 V HN 0.479 nan 8.190 nan 0.000 0.451 802 I N -0.400 120.148 120.570 -0.037 0.000 2.208 802 I HA -0.277 3.893 4.170 0.001 0.000 0.245 802 I C 2.704 178.853 176.117 0.054 0.000 1.097 802 I CA 1.568 62.889 61.300 0.034 0.000 1.363 802 I CB -0.377 37.684 38.000 0.102 0.000 1.051 802 I HN 0.171 nan 8.210 nan 0.000 0.413 803 R N 1.072 121.587 120.500 0.025 0.000 2.127 803 R HA -0.133 4.207 4.340 0.001 0.000 0.238 803 R C 2.003 178.327 176.300 0.041 0.000 1.134 803 R CA 1.394 57.511 56.100 0.029 0.000 0.975 803 R CB -0.341 29.959 30.300 0.000 0.000 0.865 803 R HN 0.446 nan 8.270 nan 0.000 0.447 804 N N -0.465 118.244 118.700 0.015 0.000 2.148 804 N HA -0.053 4.688 4.740 0.001 0.000 0.186 804 N C 1.764 177.315 175.510 0.068 0.000 1.031 804 N CA 1.446 54.520 53.050 0.040 0.000 0.848 804 N CB 0.013 38.477 38.487 -0.039 0.000 1.005 804 N HN 0.177 nan 8.380 nan 0.000 0.427 805 I N 1.618 122.217 120.570 0.049 0.000 2.226 805 I HA -0.188 3.983 4.170 0.001 0.000 0.245 805 I C 2.383 178.546 176.117 0.076 0.000 1.100 805 I CA 0.719 62.056 61.300 0.061 0.000 1.374 805 I CB -0.340 37.684 38.000 0.039 0.000 1.057 805 I HN 0.049 nan 8.210 nan 0.000 0.413 806 A N -0.808 122.061 122.820 0.082 0.000 2.131 806 A HA -0.189 4.131 4.320 0.001 0.000 0.220 806 A C 2.173 179.804 177.584 0.079 0.000 1.158 806 A CA 2.123 54.208 52.037 0.080 0.000 0.665 806 A CB -0.593 18.463 19.000 0.093 0.000 0.795 806 A HN 0.392 nan 8.150 nan 0.000 0.460 807 T N -1.091 113.523 114.554 0.100 0.000 3.145 807 T HA 0.146 4.496 4.350 0.001 0.000 0.281 807 T C 1.333 176.139 174.700 0.177 0.000 1.003 807 T CA 0.626 62.793 62.100 0.113 0.000 0.901 807 T CB -0.389 68.544 68.868 0.109 0.000 1.112 807 T HN 0.579 nan 8.240 nan 0.000 0.535 808 S N -0.726 115.093 115.700 0.199 0.000 2.562 808 S HA 0.155 4.625 4.470 0.001 0.000 0.221 808 S C 2.295 177.042 174.600 0.245 0.000 0.975 808 S CA 0.452 58.849 58.200 0.328 0.000 0.918 808 S CB -0.368 62.986 63.200 0.255 0.000 0.772 808 S HN 0.466 nan 8.310 nan 0.000 0.531 809 G N 3.070 111.931 108.800 0.102 0.000 2.574 809 G HA2 -0.372 3.588 3.960 0.001 0.000 0.220 809 G HA3 -0.372 3.588 3.960 0.001 0.000 0.220 809 G C 1.300 176.142 174.900 -0.096 0.000 1.173 809 G CA 1.291 46.407 45.100 0.026 0.000 0.772 809 G HN 0.586 nan 8.290 nan 0.000 0.585 810 K N -0.264 119.957 120.400 -0.299 0.000 2.218 810 K HA -0.074 4.246 4.320 0.001 0.000 0.205 810 K C 1.171 177.400 176.600 -0.619 0.000 1.046 810 K CA 0.831 56.798 56.287 -0.533 0.000 0.933 810 K CB -0.245 31.778 32.500 -0.796 0.000 0.728 810 K HN 0.372 nan 8.250 nan 0.000 0.454 811 F N 0.915 120.897 119.950 0.053 0.000 2.663 811 F HA 0.166 4.693 4.527 0.001 0.000 0.299 811 F C 0.759 176.606 175.800 0.079 0.000 1.143 811 F CA -0.323 57.715 58.000 0.065 0.000 1.387 811 F CB 0.075 39.112 39.000 0.062 0.000 1.019 811 F HN -0.142 nan 8.300 nan 0.000 0.523 812 S N -0.095 115.678 115.700 0.122 0.000 2.562 812 S HA 0.184 4.654 4.470 0.001 0.000 0.275 812 S C 1.421 176.095 174.600 0.123 0.000 1.281 812 S CA -0.125 58.150 58.200 0.126 0.000 1.045 812 S CB 0.923 64.166 63.200 0.073 0.000 0.962 812 S HN 0.320 nan 8.310 nan 0.000 0.503 813 S N 2.876 118.673 115.700 0.163 0.000 2.481 813 S HA -0.055 4.415 4.470 0.001 0.000 0.231 813 S C 0.940 175.562 174.600 0.037 0.000 0.996 813 S CA 0.562 58.866 58.200 0.172 0.000 0.942 813 S CB -0.369 63.030 63.200 0.332 0.000 0.768 813 S HN 0.793 nan 8.310 nan 0.000 0.520 814 D N 1.930 122.348 120.400 0.030 0.000 2.144 814 D HA -0.102 4.538 4.640 0.001 0.000 0.199 814 D C 2.075 178.362 176.300 -0.021 0.000 0.984 814 D CA 0.803 54.801 54.000 -0.004 0.000 0.834 814 D CB -0.324 40.477 40.800 0.002 0.000 0.955 814 D HN 0.319 nan 8.370 nan 0.000 0.465 815 R N 0.869 121.360 120.500 -0.016 0.000 2.066 815 R HA -0.083 4.257 4.340 0.001 0.000 0.232 815 R C 1.913 178.186 176.300 -0.044 0.000 1.131 815 R CA 1.386 57.464 56.100 -0.037 0.000 0.955 815 R CB -0.732 29.535 30.300 -0.055 0.000 0.851 815 R HN 0.109 nan 8.270 nan 0.000 0.432 816 T N 2.072 116.614 114.554 -0.020 0.000 2.699 816 T HA -0.133 4.217 4.350 0.001 0.000 0.268 816 T C 1.887 176.558 174.700 -0.049 0.000 1.036 816 T CA 1.305 63.398 62.100 -0.013 0.000 1.147 816 T CB -0.102 68.798 68.868 0.053 0.000 0.862 816 T HN 0.112 nan 8.240 nan 0.000 0.446 817 I N 1.415 121.893 120.570 -0.154 0.000 2.439 817 I HA -0.003 4.168 4.170 0.001 0.000 0.251 817 I C 2.850 178.922 176.117 -0.075 0.000 1.139 817 I CA 0.674 61.870 61.300 -0.173 0.000 1.438 817 I CB -1.522 36.365 38.000 -0.189 0.000 1.085 817 I HN 0.195 nan 8.210 nan 0.000 0.427 818 A N 0.197 122.982 122.820 -0.058 0.000 1.933 818 A HA -0.219 4.101 4.320 0.001 0.000 0.218 818 A C 2.229 179.760 177.584 -0.087 0.000 1.175 818 A CA 1.282 53.291 52.037 -0.045 0.000 0.628 818 A CB -0.474 18.505 19.000 -0.035 0.000 0.814 818 A HN 0.482 nan 8.150 nan 0.000 0.444 819 Q N -1.613 118.117 119.800 -0.117 0.000 2.016 819 Q HA -0.185 4.155 4.340 0.001 0.000 0.200 819 Q C 1.982 177.809 176.000 -0.287 0.000 0.978 819 Q CA 1.736 57.432 55.803 -0.178 0.000 0.833 819 Q CB -0.382 28.243 28.738 -0.189 0.000 0.895 819 Q HN 0.806 nan 8.270 nan 0.000 0.427 820 Y N 0.818 120.843 120.300 -0.457 0.000 2.151 820 Y HA -0.319 4.231 4.550 0.001 0.000 0.284 820 Y C 2.485 177.814 175.900 -0.952 0.000 1.166 820 Y CA 1.249 58.842 58.100 -0.845 0.000 1.163 820 Y CB -0.556 37.127 38.460 -1.295 0.000 0.974 820 Y HN 0.181 nan 8.280 nan 0.000 0.511 821 A N 0.355 122.934 122.820 -0.401 0.000 1.851 821 A HA -0.247 4.073 4.320 0.001 0.000 0.216 821 A C 2.261 179.830 177.584 -0.026 0.000 1.195 821 A CA 2.203 54.214 52.037 -0.042 0.000 0.622 821 A CB -0.663 18.379 19.000 0.070 0.000 0.831 821 A HN 0.429 nan 8.150 nan 0.000 0.444 822 R N -1.030 119.431 120.500 -0.066 0.000 2.119 822 R HA -0.019 4.321 4.340 0.001 0.000 0.222 822 R C 1.843 178.104 176.300 -0.065 0.000 1.088 822 R CA 1.448 57.525 56.100 -0.039 0.000 0.984 822 R CB -0.111 30.165 30.300 -0.040 0.000 0.884 822 R HN 0.657 nan 8.270 nan 0.000 0.447 823 E N -0.681 119.435 120.200 -0.139 0.000 2.431 823 E HA 0.133 4.483 4.350 0.001 0.000 0.200 823 E C 1.419 177.956 176.600 -0.105 0.000 0.995 823 E CA 0.282 56.610 56.400 -0.120 0.000 0.915 823 E CB 0.627 30.231 29.700 -0.159 0.000 0.930 823 E HN 0.227 nan 8.360 nan 0.000 0.496 824 I N -1.275 119.185 120.570 -0.184 0.000 3.570 824 I HA 0.015 4.185 4.170 0.001 0.000 0.270 824 I C 1.283 177.459 176.117 0.099 0.000 1.162 824 I CA 0.021 61.249 61.300 -0.121 0.000 1.413 824 I CB 0.151 37.946 38.000 -0.342 0.000 1.437 824 I HN 0.153 nan 8.210 nan 0.000 0.457 825 W N 1.422 122.817 121.300 0.158 0.000 2.523 825 W HA 0.277 4.937 4.660 0.001 0.000 0.278 825 W C 1.584 178.152 176.519 0.082 0.000 1.236 825 W CA 1.026 58.451 57.345 0.134 0.000 1.306 825 W CB -0.989 28.535 29.460 0.108 0.000 1.101 825 W HN 0.359 nan 8.180 nan 0.000 0.577 826 G N 0.541 109.470 108.800 0.216 0.000 2.142 826 G HA2 -0.133 3.828 3.960 0.001 0.000 0.225 826 G HA3 -0.133 3.828 3.960 0.001 0.000 0.225 826 G C -0.274 174.708 174.900 0.136 0.000 1.015 826 G CA 0.061 45.244 45.100 0.138 0.000 0.716 826 G HN 0.334 nan 8.290 nan 0.000 0.508 827 V N -3.868 116.147 119.914 0.167 0.000 2.864 827 V HA 0.930 5.050 4.120 0.001 0.000 0.314 827 V C -0.229 175.927 176.094 0.102 0.000 1.073 827 V CA -1.647 60.735 62.300 0.137 0.000 0.956 827 V CB 2.306 34.236 31.823 0.178 0.000 1.023 827 V HN 0.110 nan 8.190 nan 0.000 0.435 828 E N 2.546 122.791 120.200 0.074 0.000 2.156 828 E HA 0.536 4.886 4.350 0.001 0.000 0.279 828 E C -2.642 173.994 176.600 0.061 0.000 0.965 828 E CA -2.010 54.425 56.400 0.058 0.000 0.789 828 E CB 1.869 31.596 29.700 0.045 0.000 1.098 828 E HN 0.661 nan 8.360 nan 0.000 0.397 829 P HA 0.050 nan 4.420 nan 0.000 0.268 829 P C -0.803 176.524 177.300 0.046 0.000 1.205 829 P CA 0.102 63.233 63.100 0.051 0.000 0.771 829 P CB 0.672 32.394 31.700 0.036 0.000 0.858 830 S N 1.826 117.556 115.700 0.050 0.000 2.561 830 S HA 0.342 4.812 4.470 0.001 0.000 0.303 830 S C 0.441 175.067 174.600 0.043 0.000 1.110 830 S CA -0.710 57.520 58.200 0.049 0.000 1.034 830 S CB 0.634 63.873 63.200 0.066 0.000 1.010 830 S HN 0.268 nan 8.310 nan 0.000 0.482 831 R N 1.927 122.447 120.500 0.034 0.000 2.388 831 R HA 0.100 4.440 4.340 0.001 0.000 0.247 831 R C 0.136 176.451 176.300 0.024 0.000 0.931 831 R CA -0.077 56.041 56.100 0.030 0.000 1.082 831 R CB 0.219 30.534 30.300 0.025 0.000 1.135 831 R HN 0.674 nan 8.270 nan 0.000 0.525 832 Q N 0.937 120.752 119.800 0.025 0.000 2.288 832 Q HA 0.154 4.495 4.340 0.001 0.000 0.258 832 Q C -0.782 175.218 176.000 0.000 0.000 0.957 832 Q CA -0.417 55.394 55.803 0.013 0.000 0.919 832 Q CB 0.859 29.608 28.738 0.018 0.000 1.185 832 Q HN -0.067 nan 8.270 nan 0.000 0.408 833 R N 2.453 122.945 120.500 -0.014 0.000 2.421 833 R HA 0.107 4.447 4.340 0.001 0.000 0.305 833 R C -0.350 175.920 176.300 -0.051 0.000 1.039 833 R CA -0.505 55.576 56.100 -0.032 0.000 1.003 833 R CB 0.152 30.430 30.300 -0.036 0.000 0.959 833 R HN 0.580 nan 8.270 nan 0.000 0.427 834 L N 6.081 127.260 121.223 -0.073 0.000 2.467 834 L HA 0.177 4.517 4.340 0.001 0.000 0.270 834 L C -1.712 175.099 176.870 -0.099 0.000 1.205 834 L CA -1.363 53.398 54.840 -0.130 0.000 0.828 834 L CB 0.276 42.235 42.059 -0.166 0.000 1.101 834 L HN 0.525 nan 8.230 nan 0.000 0.479 835 P HA 0.346 nan 4.420 nan 0.000 0.274 835 P C -0.494 176.779 177.300 -0.045 0.000 1.256 835 P CA 0.391 63.455 63.100 -0.060 0.000 0.795 835 P CB 0.760 32.431 31.700 -0.050 0.000 1.038 836 A N -0.241 122.561 122.820 -0.030 0.000 6.226 836 A HA -0.110 4.210 4.320 0.001 0.000 0.254 836 A C -2.427 175.152 177.584 -0.008 0.000 2.160 836 A CA 0.348 52.376 52.037 -0.014 0.000 0.705 836 A CB -3.262 15.733 19.000 -0.009 0.000 1.036 836 A HN 0.703 nan 8.150 nan 0.000 0.366 837 P HA 0.788 nan 4.420 nan 0.000 0.309 837 P C -0.374 176.943 177.300 0.029 0.000 1.302 837 P CA 1.034 64.151 63.100 0.028 0.000 0.835 837 P CB 1.689 33.426 31.700 0.061 0.000 1.324 838 D N 0.000 120.424 120.400 0.040 0.000 6.856 838 D HA 0.000 4.640 4.640 0.001 0.000 0.175 838 D CA 0.000 nan 54.000 nan 0.000 0.868 838 D CB 0.000 nan 40.800 nan 0.000 0.688 838 D HN 0.000 nan 8.370 nan 0.000 0.683