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_B 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 0.000 176.291 176.300 -0.016 0.000 0.893 10 R CA 0.000 56.090 56.100 -0.017 0.000 0.921 10 R CB 0.000 30.290 30.300 -0.017 0.000 0.687 11 K N 1.282 121.674 120.400 -0.013 0.000 2.439 11 K HA -0.047 4.273 4.320 -0.001 0.000 0.197 11 K C 0.488 177.081 176.600 -0.011 0.000 1.041 11 K CA 1.319 57.600 56.287 -0.011 0.000 0.970 11 K CB 0.297 32.792 32.500 -0.008 0.000 0.773 11 K HN 0.334 nan 8.250 nan 0.000 0.479 12 Q N -0.046 119.747 119.800 -0.012 0.000 2.365 12 Q HA 0.201 4.540 4.340 -0.001 0.000 0.203 12 Q C -0.038 175.953 176.000 -0.015 0.000 0.929 12 Q CA 0.061 55.856 55.803 -0.012 0.000 0.948 12 Q CB 0.415 29.146 28.738 -0.012 0.000 1.043 12 Q HN 0.168 nan 8.270 nan 0.000 0.505 13 I N 1.142 121.702 120.570 -0.017 0.000 2.278 13 I HA 0.110 4.280 4.170 -0.001 0.000 0.296 13 I C -0.180 175.925 176.117 -0.020 0.000 1.121 13 I CA -0.198 61.090 61.300 -0.021 0.000 1.267 13 I CB 0.515 38.500 38.000 -0.025 0.000 1.447 13 I HN -0.073 nan 8.210 nan 0.000 0.509 14 S N 3.780 119.470 115.700 -0.017 0.000 2.541 14 S HA 0.429 4.899 4.470 -0.001 0.000 0.271 14 S C 0.680 175.273 174.600 -0.012 0.000 1.133 14 S CA -0.743 57.449 58.200 -0.014 0.000 0.876 14 S CB 1.783 64.977 63.200 -0.010 0.000 1.105 14 S HN 0.238 nan 8.310 nan 0.000 0.470 15 V N 5.208 125.115 119.914 -0.011 0.000 2.346 15 V HA -0.106 4.013 4.120 -0.001 0.000 0.244 15 V C 2.470 178.562 176.094 -0.004 0.000 1.037 15 V CA 2.015 64.310 62.300 -0.008 0.000 1.029 15 V CB -1.265 30.555 31.823 -0.005 0.000 0.663 15 V HN 0.968 nan 8.190 nan 0.000 0.454 16 R N 2.661 123.160 120.500 -0.003 0.000 2.346 16 R HA -0.248 4.092 4.340 -0.001 0.000 0.244 16 R C 1.581 177.882 176.300 0.003 0.000 1.074 16 R CA 2.438 58.539 56.100 0.001 0.000 0.910 16 R CB -1.846 28.454 30.300 -0.000 0.000 0.970 16 R HN 0.539 nan 8.270 nan 0.000 0.432 17 G N -1.165 107.636 108.800 0.001 0.000 4.379 17 G HA2 0.416 4.376 3.960 -0.001 0.000 0.290 17 G HA3 0.416 4.376 3.960 -0.001 0.000 0.290 17 G C 0.096 174.997 174.900 0.002 0.000 1.065 17 G CA -0.429 44.674 45.100 0.005 0.000 0.833 17 G HN 0.082 nan 8.290 nan 0.000 0.512 18 L N 0.966 122.186 121.223 -0.005 0.000 2.627 18 L HA 0.460 4.800 4.340 -0.001 0.000 0.233 18 L C 1.074 177.933 176.870 -0.020 0.000 1.144 18 L CA -0.031 54.802 54.840 -0.012 0.000 0.892 18 L CB -0.968 41.080 42.059 -0.017 0.000 1.039 18 L HN 0.332 nan 8.230 nan 0.000 0.442 19 A N -0.548 122.267 122.820 -0.010 0.000 2.686 19 A HA 0.593 4.913 4.320 -0.001 0.000 0.299 19 A C 0.469 178.102 177.584 0.081 0.000 1.151 19 A CA -0.215 51.820 52.037 -0.004 0.000 0.851 19 A CB -0.047 18.850 19.000 -0.172 0.000 1.448 19 A HN 0.162 nan 8.150 nan 0.000 0.404 20 G N 1.676 110.531 108.800 0.092 0.000 2.428 20 G HA2 0.466 4.425 3.960 -0.001 0.000 0.293 20 G HA3 0.466 4.425 3.960 -0.001 0.000 0.293 20 G C 0.190 175.163 174.900 0.123 0.000 1.059 20 G CA 0.064 45.217 45.100 0.089 0.000 1.194 20 G HN 0.864 nan 8.290 nan 0.000 0.435 21 V N 2.440 122.423 119.914 0.116 0.000 3.051 21 V HA 0.313 4.433 4.120 -0.001 0.000 0.306 21 V C 1.065 177.177 176.094 0.030 0.000 1.083 21 V CA 0.187 62.539 62.300 0.086 0.000 1.104 21 V CB 1.170 33.037 31.823 0.072 0.000 1.027 21 V HN 0.983 nan 8.190 nan 0.000 0.483 22 E N 1.014 121.208 120.200 -0.010 0.000 3.715 22 E HA -0.172 4.178 4.350 -0.001 0.000 0.332 22 E C -0.108 176.487 176.600 -0.008 0.000 0.804 22 E CA 0.711 57.100 56.400 -0.018 0.000 1.253 22 E CB -1.287 28.409 29.700 -0.007 0.000 1.629 22 E HN 0.796 nan 8.360 nan 0.000 0.399 23 N N -0.084 118.615 118.700 -0.001 0.000 2.504 23 N HA 0.209 4.949 4.740 -0.001 0.000 0.280 23 N C 0.875 176.399 175.510 0.023 0.000 1.052 23 N CA 0.120 53.180 53.050 0.017 0.000 0.887 23 N CB 1.521 40.030 38.487 0.037 0.000 1.323 23 N HN -0.041 nan 8.380 nan 0.000 0.509 24 V N 2.705 122.628 119.914 0.015 0.000 2.392 24 V HA -0.212 3.908 4.120 -0.001 0.000 0.249 24 V C 2.089 178.199 176.094 0.026 0.000 1.059 24 V CA 1.972 64.282 62.300 0.016 0.000 1.051 24 V CB -0.526 31.302 31.823 0.009 0.000 0.658 24 V HN 0.685 nan 8.190 nan 0.000 0.455 25 T N -0.841 113.730 114.554 0.027 0.000 2.777 25 T HA -0.131 4.219 4.350 -0.001 0.000 0.266 25 T C 1.875 176.604 174.700 0.048 0.000 1.040 25 T CA 1.171 63.289 62.100 0.029 0.000 1.141 25 T CB -0.189 68.693 68.868 0.023 0.000 0.868 25 T HN 0.426 nan 8.240 nan 0.000 0.444 26 E N 1.266 121.502 120.200 0.060 0.000 2.047 26 E HA 0.037 4.387 4.350 -0.001 0.000 0.191 26 E C 2.356 179.027 176.600 0.118 0.000 0.987 26 E CA 0.659 57.109 56.400 0.084 0.000 0.799 26 E CB -0.506 29.251 29.700 0.096 0.000 0.752 26 E HN 0.441 nan 8.360 nan 0.000 0.449 27 L N 0.787 122.085 121.223 0.124 0.000 2.079 27 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 27 L C 2.426 179.397 176.870 0.168 0.000 1.081 27 L CA 1.236 56.171 54.840 0.159 0.000 0.752 27 L CB -0.273 41.847 42.059 0.103 0.000 0.896 27 L HN 0.066 nan 8.230 nan 0.000 0.433 28 K N -0.034 120.434 120.400 0.112 0.000 2.155 28 K HA -0.185 4.134 4.320 -0.001 0.000 0.203 28 K C 2.115 178.816 176.600 0.168 0.000 1.052 28 K CA 0.884 57.246 56.287 0.126 0.000 0.948 28 K CB -0.010 32.517 32.500 0.045 0.000 0.728 28 K HN 0.237 nan 8.250 nan 0.000 0.448 29 K N 1.220 121.689 120.400 0.115 0.000 2.057 29 K HA -0.111 4.209 4.320 -0.001 0.000 0.206 29 K C 1.574 178.220 176.600 0.077 0.000 1.050 29 K CA 1.298 57.634 56.287 0.082 0.000 0.935 29 K CB 0.032 32.565 32.500 0.055 0.000 0.715 29 K HN 0.043 nan 8.250 nan 0.000 0.439 30 N N 0.255 119.018 118.700 0.105 0.000 2.270 30 N HA -0.139 4.601 4.740 -0.001 0.000 0.181 30 N C 1.678 177.266 175.510 0.130 0.000 1.016 30 N CA 0.905 53.996 53.050 0.069 0.000 0.870 30 N CB -0.257 38.314 38.487 0.141 0.000 0.979 30 N HN 0.189 nan 8.380 nan 0.000 0.431 31 F N 2.793 122.805 119.950 0.104 0.000 2.075 31 F HA -0.107 4.420 4.527 -0.000 0.000 0.297 31 F C 2.087 177.938 175.800 0.086 0.000 1.113 31 F CA 1.385 59.459 58.000 0.124 0.000 1.218 31 F CB -0.339 38.714 39.000 0.088 0.000 0.984 31 F HN -0.039 nan 8.300 nan 0.000 0.472 32 N N 0.596 119.381 118.700 0.140 0.000 2.120 32 N HA -0.153 4.587 4.740 -0.001 0.000 0.188 32 N C 1.952 177.421 175.510 -0.067 0.000 1.024 32 N CA 1.448 54.547 53.050 0.081 0.000 0.852 32 N CB -0.406 38.183 38.487 0.170 0.000 1.003 32 N HN 0.379 nan 8.380 nan 0.000 0.424 33 R N 0.028 120.418 120.500 -0.184 0.000 2.091 33 R HA -0.101 4.239 4.340 -0.001 0.000 0.238 33 R C 1.935 178.024 176.300 -0.351 0.000 1.136 33 R CA 1.282 57.149 56.100 -0.388 0.000 0.959 33 R CB -0.425 29.739 30.300 -0.227 0.000 0.856 33 R HN 0.506 nan 8.270 nan 0.000 0.437 34 H N -0.267 118.677 119.070 -0.210 0.000 2.395 34 H HA -0.066 4.490 4.556 -0.001 0.000 0.299 34 H C 1.963 177.091 175.328 -0.334 0.000 1.070 34 H CA 1.057 56.961 56.048 -0.241 0.000 1.356 34 H CB 0.123 29.756 29.762 -0.215 0.000 1.401 34 H HN 0.032 nan 8.280 nan 0.000 0.524 35 L N 0.190 121.205 121.223 -0.346 0.000 1.994 35 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 35 L C 1.758 178.334 176.870 -0.489 0.000 1.071 35 L CA 1.932 56.484 54.840 -0.480 0.000 0.745 35 L CB -0.313 41.356 42.059 -0.650 0.000 0.892 35 L HN 0.303 nan 8.230 nan 0.000 0.431 36 H N -2.523 116.359 119.070 -0.314 0.000 2.403 36 H HA -0.001 4.554 4.556 -0.001 0.000 0.298 36 H C 1.504 176.718 175.328 -0.189 0.000 1.059 36 H CA 1.851 57.711 56.048 -0.313 0.000 1.363 36 H CB 0.006 29.474 29.762 -0.491 0.000 1.410 36 H HN 0.253 nan 8.280 nan 0.000 0.528 37 F N -0.609 119.352 119.950 0.018 0.000 2.383 37 F HA 0.073 4.600 4.527 -0.000 0.000 0.287 37 F C 2.353 178.116 175.800 -0.062 0.000 1.069 37 F CA 0.703 58.687 58.000 -0.026 0.000 1.402 37 F CB -0.751 38.222 39.000 -0.045 0.000 1.116 37 F HN -0.015 nan 8.300 nan 0.000 0.549 38 T N 0.731 115.346 114.554 0.101 0.000 2.732 38 T HA -0.074 4.276 4.350 -0.001 0.000 0.261 38 T C 1.978 176.630 174.700 -0.080 0.000 1.040 38 T CA 1.169 63.259 62.100 -0.017 0.000 1.145 38 T CB -0.418 68.388 68.868 -0.104 0.000 0.866 38 T HN -0.039 nan 8.240 nan 0.000 0.427 39 L N 0.642 121.797 121.223 -0.114 0.000 2.341 39 L HA 0.218 4.558 4.340 -0.001 0.000 0.214 39 L C 0.699 177.504 176.870 -0.108 0.000 1.115 39 L CA 0.518 55.275 54.840 -0.139 0.000 0.820 39 L CB -0.422 41.521 42.059 -0.193 0.000 0.944 39 L HN 0.039 nan 8.230 nan 0.000 0.452 40 V N 0.093 119.968 119.914 -0.065 0.000 6.216 40 V HA -0.279 3.841 4.120 -0.001 0.000 0.313 40 V C 0.321 176.377 176.094 -0.064 0.000 0.538 40 V CA 0.746 63.034 62.300 -0.019 0.000 0.645 40 V CB -2.009 29.812 31.823 -0.003 0.000 0.287 40 V HN 0.386 nan 8.190 nan 0.000 0.833 41 K N 0.806 121.136 120.400 -0.117 0.000 2.250 41 K HA 0.872 5.192 4.320 -0.001 0.000 0.261 41 K C -0.712 175.790 176.600 -0.163 0.000 1.047 41 K CA -0.089 56.108 56.287 -0.149 0.000 0.884 41 K CB 2.467 34.828 32.500 -0.232 0.000 1.476 41 K HN 0.570 nan 8.250 nan 0.000 0.445 42 D N -2.491 117.823 120.400 -0.143 0.000 2.694 42 D HA 0.160 4.800 4.640 -0.001 0.000 0.260 42 D C 0.319 176.621 176.300 0.003 0.000 1.250 42 D CA -0.792 53.175 54.000 -0.055 0.000 0.763 42 D CB 0.610 41.502 40.800 0.152 0.000 1.311 42 D HN 0.410 nan 8.370 nan 0.000 0.420 43 R N 0.841 121.413 120.500 0.120 0.000 2.185 43 R HA -0.174 4.166 4.340 -0.001 0.000 0.247 43 R C 0.719 177.089 176.300 0.116 0.000 1.159 43 R CA 1.966 58.173 56.100 0.179 0.000 0.988 43 R CB -1.049 29.372 30.300 0.201 0.000 0.871 43 R HN 0.446 nan 8.270 nan 0.000 0.458 44 N N -0.022 118.721 118.700 0.073 0.000 2.331 44 N HA -0.056 4.684 4.740 -0.001 0.000 0.180 44 N C 1.046 176.567 175.510 0.019 0.000 1.019 44 N CA 1.149 54.227 53.050 0.047 0.000 0.881 44 N CB 0.271 38.780 38.487 0.037 0.000 0.972 44 N HN 0.016 nan 8.380 nan 0.000 0.435 45 V N -0.028 119.880 119.914 -0.009 0.000 3.570 45 V HA 0.303 4.423 4.120 -0.001 0.000 0.257 45 V C 0.683 176.718 176.094 -0.100 0.000 1.272 45 V CA -0.037 62.237 62.300 -0.043 0.000 1.079 45 V CB 0.017 31.814 31.823 -0.044 0.000 0.829 45 V HN 0.225 nan 8.190 nan 0.000 0.454 46 A N 0.338 123.070 122.820 -0.148 0.000 2.462 46 A HA 0.480 4.800 4.320 -0.001 0.000 0.243 46 A C 0.311 177.709 177.584 -0.309 0.000 1.076 46 A CA 0.662 52.492 52.037 -0.345 0.000 0.773 46 A CB 0.351 19.023 19.000 -0.547 0.000 1.010 46 A HN 0.256 nan 8.150 nan 0.000 0.493 47 T N 1.571 115.897 114.554 -0.381 0.000 2.940 47 T HA 0.545 4.894 4.350 -0.001 0.000 0.288 47 T C -1.986 172.585 174.700 -0.214 0.000 1.033 47 T CA -1.693 60.285 62.100 -0.202 0.000 1.033 47 T CB 1.363 70.142 68.868 -0.149 0.000 1.079 47 T HN 0.313 nan 8.240 nan 0.000 0.496 48 P HA -0.068 nan 4.420 nan 0.000 0.217 48 P C 1.424 178.855 177.300 0.219 0.000 1.148 48 P CA 0.848 64.116 63.100 0.280 0.000 0.828 48 P CB 0.117 31.953 31.700 0.226 0.000 0.783 49 R N 0.195 120.748 120.500 0.088 0.000 2.081 49 R HA -0.154 4.185 4.340 -0.001 0.000 0.235 49 R C 1.512 177.909 176.300 0.162 0.000 1.131 49 R CA 1.910 58.105 56.100 0.157 0.000 0.960 49 R CB -0.779 29.468 30.300 -0.088 0.000 0.856 49 R HN 0.097 nan 8.270 nan 0.000 0.436 50 D N -0.243 120.082 120.400 -0.125 0.000 2.144 50 D HA -0.177 4.463 4.640 -0.001 0.000 0.199 50 D C 1.732 177.983 176.300 -0.082 0.000 0.984 50 D CA 1.188 55.056 54.000 -0.220 0.000 0.834 50 D CB -0.296 40.244 40.800 -0.433 0.000 0.955 50 D HN 0.304 nan 8.370 nan 0.000 0.465 51 Y N 0.041 120.421 120.300 0.132 0.000 2.224 51 Y HA -0.208 4.342 4.550 -0.001 0.000 0.289 51 Y C 2.311 178.355 175.900 0.239 0.000 1.146 51 Y CA 0.319 58.556 58.100 0.229 0.000 1.182 51 Y CB -1.027 37.588 38.460 0.259 0.000 0.983 51 Y HN 0.086 nan 8.280 nan 0.000 0.524 52 Y N -0.672 119.843 120.300 0.359 0.000 2.163 52 Y HA -0.227 4.323 4.550 -0.001 0.000 0.288 52 Y C 1.979 177.964 175.900 0.142 0.000 1.136 52 Y CA 1.035 59.276 58.100 0.235 0.000 1.147 52 Y CB -1.134 37.433 38.460 0.178 0.000 0.987 52 Y HN 0.021 nan 8.280 nan 0.000 0.509 53 F N 0.375 119.978 119.950 -0.578 0.000 2.171 53 F HA -0.143 4.384 4.527 -0.001 0.000 0.300 53 F C 2.630 178.234 175.800 -0.328 0.000 1.090 53 F CA 1.557 59.231 58.000 -0.543 0.000 1.293 53 F CB -0.961 37.888 39.000 -0.251 0.000 1.013 53 F HN 0.195 nan 8.300 nan 0.000 0.486 54 A N -0.481 122.308 122.820 -0.051 0.000 1.930 54 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 54 A C 2.071 179.592 177.584 -0.104 0.000 1.175 54 A CA 1.402 53.322 52.037 -0.194 0.000 0.627 54 A CB -0.945 17.721 19.000 -0.557 0.000 0.815 54 A HN 0.340 nan 8.150 nan 0.000 0.443 55 L N -0.342 120.932 121.223 0.085 0.000 2.072 55 L HA 0.050 4.389 4.340 -0.001 0.000 0.205 55 L C 2.651 179.486 176.870 -0.058 0.000 1.079 55 L CA 1.990 56.945 54.840 0.191 0.000 0.752 55 L CB -0.797 41.424 42.059 0.270 0.000 0.906 55 L HN 0.324 nan 8.230 nan 0.000 0.436 56 A N -1.058 121.517 122.820 -0.409 0.000 1.883 56 A HA -0.299 4.021 4.320 -0.001 0.000 0.217 56 A C 2.150 179.269 177.584 -0.775 0.000 1.186 56 A CA 2.118 53.723 52.037 -0.720 0.000 0.624 56 A CB -1.159 17.039 19.000 -1.337 0.000 0.822 56 A HN 0.678 nan 8.150 nan 0.000 0.444 57 H N -0.973 117.730 119.070 -0.612 0.000 2.457 57 H HA -0.042 4.514 4.556 -0.001 0.000 0.294 57 H C 2.242 177.314 175.328 -0.427 0.000 1.064 57 H CA 1.814 57.449 56.048 -0.688 0.000 1.330 57 H CB -0.004 29.046 29.762 -1.187 0.000 1.395 57 H HN 0.484 nan 8.280 nan 0.000 0.541 58 T N -0.544 114.002 114.554 -0.012 0.000 2.812 58 T HA -0.094 4.256 4.350 -0.001 0.000 0.264 58 T C 2.218 177.102 174.700 0.307 0.000 1.042 58 T CA 1.162 63.428 62.100 0.277 0.000 1.140 58 T CB -0.231 68.846 68.868 0.348 0.000 0.870 58 T HN 0.103 nan 8.240 nan 0.000 0.445 59 V N 1.313 121.369 119.914 0.238 0.000 2.379 59 V HA -0.078 4.042 4.120 -0.001 0.000 0.245 59 V C 2.604 178.898 176.094 0.333 0.000 1.044 59 V CA 1.323 63.810 62.300 0.312 0.000 1.036 59 V CB -0.608 31.391 31.823 0.292 0.000 0.664 59 V HN 0.323 nan 8.190 nan 0.000 0.453 60 R N 0.283 120.913 120.500 0.218 0.000 2.119 60 R HA -0.239 4.101 4.340 -0.001 0.000 0.246 60 R C 2.054 178.449 176.300 0.160 0.000 1.146 60 R CA 2.246 58.450 56.100 0.175 0.000 0.962 60 R CB -0.401 29.820 30.300 -0.132 0.000 0.863 60 R HN 0.541 nan 8.270 nan 0.000 0.442 61 D N -0.875 119.600 120.400 0.125 0.000 2.178 61 D HA -0.143 4.497 4.640 -0.001 0.000 0.201 61 D C 1.717 177.967 176.300 -0.084 0.000 0.980 61 D CA 1.380 55.401 54.000 0.034 0.000 0.842 61 D CB -0.358 40.430 40.800 -0.020 0.000 0.948 61 D HN 0.488 nan 8.370 nan 0.000 0.472 62 H N -0.053 119.087 119.070 0.117 0.000 2.428 62 H HA 0.093 4.649 4.556 -0.001 0.000 0.296 62 H C 2.200 177.575 175.328 0.079 0.000 1.062 62 H CA 0.397 56.495 56.048 0.085 0.000 1.350 62 H CB 0.004 29.807 29.762 0.068 0.000 1.403 62 H HN 0.058 nan 8.280 nan 0.000 0.533 63 L N 0.412 121.748 121.223 0.189 0.000 1.988 63 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 63 L C 2.271 179.240 176.870 0.166 0.000 1.071 63 L CA 1.394 56.307 54.840 0.122 0.000 0.744 63 L CB -0.224 41.894 42.059 0.098 0.000 0.893 63 L HN 0.339 nan 8.230 nan 0.000 0.433 64 V N -3.363 116.696 119.914 0.243 0.000 2.970 64 V HA -0.018 4.101 4.120 -0.001 0.000 0.260 64 V C 2.245 178.488 176.094 0.248 0.000 1.100 64 V CA 1.358 63.902 62.300 0.406 0.000 1.122 64 V CB -1.504 30.568 31.823 0.416 0.000 0.721 64 V HN 0.440 nan 8.190 nan 0.000 0.483 65 G N 1.072 109.955 108.800 0.138 0.000 2.446 65 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.217 65 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.217 65 G C 1.790 176.742 174.900 0.088 0.000 1.168 65 G CA 1.020 46.167 45.100 0.079 0.000 0.771 65 G HN 0.546 nan 8.290 nan 0.000 0.551 66 R N -1.594 118.968 120.500 0.104 0.000 2.153 66 R HA 0.010 4.350 4.340 -0.001 0.000 0.218 66 R C 2.220 178.601 176.300 0.134 0.000 1.072 66 R CA 0.698 56.842 56.100 0.073 0.000 0.990 66 R CB -0.301 30.024 30.300 0.041 0.000 0.889 66 R HN 0.460 nan 8.270 nan 0.000 0.452 67 W N 2.006 123.285 121.300 -0.036 0.000 2.354 67 W HA -0.092 4.568 4.660 -0.001 0.000 0.315 67 W C 1.689 178.180 176.519 -0.046 0.000 1.206 67 W CA 0.892 58.213 57.345 -0.040 0.000 1.290 67 W CB -0.740 28.712 29.460 -0.012 0.000 1.152 67 W HN -0.087 nan 8.180 nan 0.000 0.489 68 I N 0.526 121.149 120.570 0.088 0.000 2.118 68 I HA -0.405 3.765 4.170 -0.001 0.000 0.241 68 I C 2.699 178.797 176.117 -0.031 0.000 1.070 68 I CA 1.954 63.220 61.300 -0.057 0.000 1.327 68 I CB -0.606 37.372 38.000 -0.036 0.000 1.034 68 I HN -0.070 nan 8.210 nan 0.000 0.405 69 R N -0.207 120.291 120.500 -0.002 0.000 2.148 69 R HA -0.102 4.238 4.340 -0.001 0.000 0.227 69 R C 2.214 178.480 176.300 -0.056 0.000 1.103 69 R CA 1.742 57.831 56.100 -0.019 0.000 0.983 69 R CB -0.487 29.803 30.300 -0.017 0.000 0.874 69 R HN 0.436 nan 8.270 nan 0.000 0.451 70 T N 0.984 115.485 114.554 -0.088 0.000 2.770 70 T HA -0.084 4.266 4.350 -0.001 0.000 0.263 70 T C 1.763 176.215 174.700 -0.414 0.000 1.039 70 T CA 0.802 62.734 62.100 -0.281 0.000 1.142 70 T CB -0.020 68.696 68.868 -0.254 0.000 0.868 70 T HN 0.159 nan 8.240 nan 0.000 0.435 71 Q N 1.239 120.949 119.800 -0.151 0.000 2.167 71 Q HA -0.024 4.316 4.340 -0.001 0.000 0.202 71 Q C 2.322 178.351 176.000 0.049 0.000 0.970 71 Q CA 1.138 56.939 55.803 -0.004 0.000 0.855 71 Q CB -0.379 28.369 28.738 0.017 0.000 0.911 71 Q HN 0.620 nan 8.270 nan 0.000 0.438 72 Q N -0.309 119.502 119.800 0.018 0.000 2.020 72 Q HA -0.221 4.119 4.340 -0.001 0.000 0.202 72 Q C 2.054 178.137 176.000 0.137 0.000 0.982 72 Q CA 1.706 57.558 55.803 0.082 0.000 0.838 72 Q CB -0.233 28.531 28.738 0.044 0.000 0.899 72 Q HN 0.516 nan 8.270 nan 0.000 0.423 73 H N -0.639 118.401 119.070 -0.050 0.000 2.289 73 H HA -0.216 4.339 4.556 -0.001 0.000 0.296 73 H C 1.518 176.884 175.328 0.064 0.000 1.091 73 H CA 2.154 58.174 56.048 -0.047 0.000 1.274 73 H CB -0.169 29.493 29.762 -0.165 0.000 1.364 73 H HN 0.275 nan 8.280 nan 0.000 0.490 74 Y N -0.889 119.468 120.300 0.094 0.000 2.224 74 Y HA -0.199 4.350 4.550 -0.001 0.000 0.289 74 Y C 2.497 178.411 175.900 0.023 0.000 1.146 74 Y CA 1.055 59.168 58.100 0.023 0.000 1.182 74 Y CB -1.390 37.153 38.460 0.139 0.000 0.983 74 Y HN 0.346 nan 8.280 nan 0.000 0.524 75 Y N 1.157 121.540 120.300 0.138 0.000 2.097 75 Y HA -0.279 4.271 4.550 -0.001 0.000 0.282 75 Y C 2.239 178.140 175.900 0.001 0.000 1.152 75 Y CA 2.124 60.263 58.100 0.064 0.000 1.136 75 Y CB -0.431 38.053 38.460 0.041 0.000 0.975 75 Y HN 0.163 nan 8.280 nan 0.000 0.498 76 E N -0.439 119.706 120.200 -0.092 0.000 2.077 76 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 76 E C 2.010 178.488 176.600 -0.202 0.000 0.989 76 E CA 1.467 57.766 56.400 -0.168 0.000 0.800 76 E CB -0.067 29.602 29.700 -0.052 0.000 0.746 76 E HN 0.125 nan 8.360 nan 0.000 0.452 77 K N 0.436 120.713 120.400 -0.206 0.000 2.296 77 K HA -0.050 4.269 4.320 -0.001 0.000 0.200 77 K C -0.126 176.406 176.600 -0.112 0.000 1.048 77 K CA 0.586 56.762 56.287 -0.186 0.000 0.966 77 K CB -0.061 32.239 32.500 -0.333 0.000 0.754 77 K HN -0.003 nan 8.250 nan 0.000 0.466 78 D N 0.146 120.489 120.400 -0.096 0.000 2.704 78 D HA -0.142 4.497 4.640 -0.001 0.000 0.232 78 D C -2.274 174.047 176.300 0.034 0.000 1.183 78 D CA 0.273 54.257 54.000 -0.027 0.000 0.647 78 D CB -0.111 40.638 40.800 -0.084 0.000 1.013 78 D HN 0.212 nan 8.370 nan 0.000 0.415 79 P HA 0.117 nan 4.420 nan 0.000 0.289 79 P C -0.308 176.980 177.300 -0.019 0.000 1.299 79 P CA -0.627 62.468 63.100 -0.008 0.000 0.766 79 P CB 0.643 32.323 31.700 -0.033 0.000 1.226 80 K N 0.673 121.047 120.400 -0.043 0.000 2.339 80 K HA 0.160 4.479 4.320 -0.001 0.000 0.286 80 K C 0.025 176.538 176.600 -0.144 0.000 1.050 80 K CA -0.179 56.065 56.287 -0.072 0.000 0.956 80 K CB 0.269 32.740 32.500 -0.048 0.000 0.990 80 K HN 0.266 nan 8.250 nan 0.000 0.475 81 R N 3.588 123.980 120.500 -0.180 0.000 2.428 81 R HA 0.391 4.731 4.340 -0.001 0.000 0.294 81 R C -0.390 175.580 176.300 -0.551 0.000 1.000 81 R CA -0.767 55.139 56.100 -0.324 0.000 0.960 81 R CB 1.215 31.369 30.300 -0.243 0.000 1.076 81 R HN 0.571 nan 8.270 nan 0.000 0.475 82 I N 2.852 123.035 120.570 -0.646 0.000 2.433 82 I HA 0.330 4.499 4.170 -0.001 0.000 0.292 82 I C -1.506 174.233 176.117 -0.630 0.000 1.001 82 I CA -0.814 60.059 61.300 -0.713 0.000 1.119 82 I CB 1.230 38.631 38.000 -0.999 0.000 1.289 82 I HN 0.596 nan 8.210 nan 0.000 0.438 83 Y N 7.537 127.795 120.300 -0.070 0.000 2.342 83 Y HA 0.309 4.859 4.550 -0.001 0.000 0.338 83 Y C -0.746 175.255 175.900 0.168 0.000 0.965 83 Y CA -0.566 57.611 58.100 0.129 0.000 1.159 83 Y CB 1.180 39.655 38.460 0.025 0.000 1.157 83 Y HN 0.465 nan 8.280 nan 0.000 0.486 84 Y N 4.785 125.272 120.300 0.311 0.000 2.478 84 Y HA 0.473 5.022 4.550 -0.001 0.000 0.329 84 Y C -0.973 175.190 175.900 0.438 0.000 0.967 84 Y CA -0.896 57.391 58.100 0.311 0.000 1.255 84 Y CB 0.427 39.062 38.460 0.291 0.000 1.103 84 Y HN 0.500 nan 8.280 nan 0.000 0.497 85 L N 5.389 126.662 121.223 0.083 0.000 2.281 85 L HA 0.424 4.764 4.340 -0.001 0.000 0.285 85 L C 0.025 176.906 176.870 0.018 0.000 1.074 85 L CA -0.300 54.646 54.840 0.176 0.000 0.817 85 L CB 1.017 43.151 42.059 0.126 0.000 1.168 85 L HN 0.563 nan 8.230 nan 0.000 0.434 86 S N 2.709 118.482 115.700 0.122 0.000 2.548 86 S HA 0.395 4.865 4.470 -0.001 0.000 0.276 86 S C -0.015 174.647 174.600 0.102 0.000 1.129 86 S CA -0.585 57.564 58.200 -0.085 0.000 0.931 86 S CB 1.742 64.622 63.200 -0.533 0.000 1.068 86 S HN 0.554 nan 8.310 nan 0.000 0.480 87 L N 3.256 124.567 121.223 0.146 0.000 2.612 87 L HA 0.459 4.798 4.340 -0.001 0.000 0.230 87 L C 0.070 177.068 176.870 0.214 0.000 1.140 87 L CA 0.906 55.891 54.840 0.243 0.000 0.896 87 L CB -0.164 42.020 42.059 0.209 0.000 1.065 87 L HN 0.673 nan 8.230 nan 0.000 0.447 88 E N -1.337 118.871 120.200 0.014 0.000 2.290 88 E HA 0.326 4.676 4.350 -0.001 0.000 0.274 88 E C -1.426 175.047 176.600 -0.212 0.000 0.889 88 E CA -0.417 55.976 56.400 -0.011 0.000 0.760 88 E CB 1.667 31.296 29.700 -0.118 0.000 1.206 88 E HN -0.158 nan 8.360 nan 0.000 0.419 89 F N 2.403 122.438 119.950 0.141 0.000 2.532 89 F HA 0.190 4.716 4.527 -0.001 0.000 0.365 89 F C -0.669 175.212 175.800 0.134 0.000 1.112 89 F CA -0.688 57.392 58.000 0.133 0.000 1.082 89 F CB 0.784 39.860 39.000 0.126 0.000 1.319 89 F HN 0.501 nan 8.300 nan 0.000 0.457 90 Y N 5.134 125.469 120.300 0.059 0.000 2.667 90 Y HA 0.180 4.729 4.550 -0.001 0.000 0.340 90 Y C 1.089 176.979 175.900 -0.016 0.000 1.303 90 Y CA -0.905 57.187 58.100 -0.013 0.000 1.769 90 Y CB 0.184 38.623 38.460 -0.035 0.000 1.804 90 Y HN 0.519 nan 8.280 nan 0.000 0.451 91 M N 1.368 121.017 119.600 0.081 0.000 2.254 91 M HA 0.075 4.554 4.480 -0.001 0.000 0.265 91 M C 1.531 177.727 176.300 -0.173 0.000 1.066 91 M CA 0.886 56.158 55.300 -0.047 0.000 1.123 91 M CB -1.167 31.405 32.600 -0.046 0.000 1.388 91 M HN 0.638 nan 8.290 nan 0.000 0.425 92 G N 3.761 112.435 108.800 -0.211 0.000 2.121 92 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.237 92 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.237 92 G C -0.286 174.479 174.900 -0.225 0.000 0.628 92 G CA 0.564 45.516 45.100 -0.247 0.000 1.062 92 G HN 0.630 nan 8.290 nan 0.000 0.350 93 R N -0.141 120.252 120.500 -0.177 0.000 1.385 93 R HA -0.139 4.201 4.340 -0.001 0.000 0.414 93 R C 0.792 176.920 176.300 -0.286 0.000 1.295 93 R CA 0.777 56.769 56.100 -0.181 0.000 0.975 93 R CB -1.766 28.433 30.300 -0.169 0.000 3.046 93 R HN 0.546 nan 8.270 nan 0.000 0.499 94 T N 2.678 116.993 114.554 -0.399 0.000 3.022 94 T HA 0.113 4.463 4.350 -0.001 0.000 0.250 94 T C 1.738 176.050 174.700 -0.647 0.000 1.060 94 T CA 0.089 61.761 62.100 -0.712 0.000 1.013 94 T CB 0.272 68.312 68.868 -1.381 0.000 0.982 94 T HN 0.395 nan 8.240 nan 0.000 0.508 95 L N 0.989 122.057 121.223 -0.259 0.000 1.973 95 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 95 L C 2.741 179.559 176.870 -0.087 0.000 1.073 95 L CA 1.714 56.546 54.840 -0.013 0.000 0.746 95 L CB -0.374 41.865 42.059 0.300 0.000 0.891 95 L HN 0.272 nan 8.230 nan 0.000 0.433 96 Q N -0.309 119.440 119.800 -0.086 0.000 2.084 96 Q HA -0.268 4.072 4.340 -0.001 0.000 0.202 96 Q C 2.028 177.945 176.000 -0.139 0.000 0.978 96 Q CA 1.912 57.660 55.803 -0.092 0.000 0.844 96 Q CB -0.124 28.555 28.738 -0.098 0.000 0.898 96 Q HN 0.520 nan 8.270 nan 0.000 0.426 97 N N -0.819 117.757 118.700 -0.206 0.000 2.036 97 N HA -0.172 4.568 4.740 -0.001 0.000 0.195 97 N C 1.522 176.919 175.510 -0.188 0.000 1.037 97 N CA 2.089 55.010 53.050 -0.216 0.000 0.855 97 N CB -0.028 38.291 38.487 -0.281 0.000 1.033 97 N HN 0.204 nan 8.380 nan 0.000 0.423 98 T N 1.738 116.142 114.554 -0.249 0.000 2.652 98 T HA -0.143 4.207 4.350 -0.001 0.000 0.267 98 T C 2.101 176.738 174.700 -0.105 0.000 1.039 98 T CA 1.649 63.626 62.100 -0.205 0.000 1.153 98 T CB -0.216 68.495 68.868 -0.262 0.000 0.863 98 T HN 0.307 nan 8.240 nan 0.000 0.428 99 M N 0.984 120.540 119.600 -0.073 0.000 2.159 99 M HA -0.071 4.409 4.480 -0.001 0.000 0.263 99 M C 2.694 178.964 176.300 -0.051 0.000 1.063 99 M CA 1.311 56.584 55.300 -0.045 0.000 1.110 99 M CB -0.679 31.907 32.600 -0.023 0.000 1.374 99 M HN 0.308 nan 8.290 nan 0.000 0.411 100 V N -1.273 118.615 119.914 -0.043 0.000 2.649 100 V HA -0.060 4.060 4.120 -0.001 0.000 0.248 100 V C 1.531 177.635 176.094 0.018 0.000 1.054 100 V CA 1.676 63.976 62.300 0.001 0.000 1.073 100 V CB -0.704 31.137 31.823 0.030 0.000 0.699 100 V HN 0.337 nan 8.190 nan 0.000 0.463 101 N N 0.571 119.271 118.700 0.001 0.000 2.453 101 N HA 0.009 4.749 4.740 -0.001 0.000 0.183 101 N C 1.094 176.501 175.510 -0.171 0.000 1.041 101 N CA 1.200 54.232 53.050 -0.031 0.000 0.900 101 N CB -0.214 38.270 38.487 -0.006 0.000 0.961 101 N HN 0.446 nan 8.380 nan 0.000 0.443 102 L N -0.649 120.498 121.223 -0.126 0.000 2.693 102 L HA 0.406 4.746 4.340 -0.001 0.000 0.235 102 L C 0.779 177.575 176.870 -0.123 0.000 1.127 102 L CA -0.137 54.633 54.840 -0.117 0.000 0.914 102 L CB -0.485 41.537 42.059 -0.061 0.000 1.193 102 L HN 0.087 nan 8.230 nan 0.000 0.502 103 A N -0.706 122.039 122.820 -0.125 0.000 2.905 103 A HA -0.228 4.091 4.320 -0.001 0.000 0.260 103 A C 1.235 178.767 177.584 -0.085 0.000 1.398 103 A CA 0.953 52.929 52.037 -0.102 0.000 0.840 103 A CB -2.056 16.873 19.000 -0.119 0.000 1.059 103 A HN 0.208 nan 8.150 nan 0.000 0.647 104 L N -0.310 120.861 121.223 -0.086 0.000 2.558 104 L HA 0.144 4.484 4.340 -0.001 0.000 0.225 104 L C 1.949 178.783 176.870 -0.059 0.000 1.128 104 L CA 1.879 56.662 54.840 -0.095 0.000 0.868 104 L CB -0.623 41.368 42.059 -0.112 0.000 1.006 104 L HN 0.659 nan 8.230 nan 0.000 0.454 105 E N -0.234 119.941 120.200 -0.042 0.000 2.038 105 E HA -0.232 4.117 4.350 -0.001 0.000 0.195 105 E C 1.727 178.313 176.600 -0.023 0.000 1.000 105 E CA 1.490 57.874 56.400 -0.027 0.000 0.803 105 E CB 0.210 29.896 29.700 -0.023 0.000 0.750 105 E HN 0.499 nan 8.360 nan 0.000 0.448 106 N N 0.412 119.097 118.700 -0.025 0.000 2.058 106 N HA -0.180 4.559 4.740 -0.001 0.000 0.191 106 N C 1.825 177.324 175.510 -0.017 0.000 1.037 106 N CA 1.354 54.392 53.050 -0.021 0.000 0.848 106 N CB -0.563 37.912 38.487 -0.020 0.000 1.021 106 N HN 0.206 nan 8.380 nan 0.000 0.422 107 A N 1.001 123.806 122.820 -0.025 0.000 1.917 107 A HA -0.171 4.149 4.320 -0.001 0.000 0.219 107 A C 2.709 180.283 177.584 -0.016 0.000 1.182 107 A CA 1.435 53.458 52.037 -0.023 0.000 0.633 107 A CB -1.062 17.910 19.000 -0.046 0.000 0.819 107 A HN 0.455 nan 8.150 nan 0.000 0.448 108 C N -1.080 118.210 119.300 -0.017 0.000 2.435 108 C HA -0.051 4.409 4.460 -0.001 0.000 0.279 108 C C 2.457 177.447 174.990 -0.001 0.000 1.321 108 C CA 0.975 59.993 59.018 -0.000 0.000 1.752 108 C CB -1.050 26.700 27.740 0.016 0.000 1.959 108 C HN 0.658 nan 8.230 nan 0.000 0.500 109 D N 0.680 121.079 120.400 -0.001 0.000 2.078 109 D HA -0.133 4.506 4.640 -0.001 0.000 0.193 109 D C 2.134 178.453 176.300 0.032 0.000 0.990 109 D CA 1.487 55.488 54.000 0.002 0.000 0.827 109 D CB -0.303 40.488 40.800 -0.015 0.000 0.975 109 D HN 0.376 nan 8.370 nan 0.000 0.451 110 E N 0.601 120.824 120.200 0.038 0.000 2.038 110 E HA -0.139 4.210 4.350 -0.001 0.000 0.195 110 E C 1.885 178.529 176.600 0.074 0.000 1.000 110 E CA 1.760 58.216 56.400 0.093 0.000 0.803 110 E CB -0.653 29.082 29.700 0.059 0.000 0.750 110 E HN 0.231 nan 8.360 nan 0.000 0.448 111 A N -0.277 122.550 122.820 0.010 0.000 1.873 111 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 111 A C 2.490 180.005 177.584 -0.115 0.000 1.193 111 A CA 3.224 55.236 52.037 -0.041 0.000 0.629 111 A CB -1.514 17.468 19.000 -0.030 0.000 0.826 111 A HN 0.517 nan 8.150 nan 0.000 0.447 112 T N -3.369 111.112 114.554 -0.121 0.000 2.867 112 T HA -0.198 4.152 4.350 -0.001 0.000 0.268 112 T C 1.819 176.447 174.700 -0.120 0.000 1.057 112 T CA 1.471 63.439 62.100 -0.221 0.000 1.136 112 T CB -0.535 68.237 68.868 -0.160 0.000 0.874 112 T HN 0.458 nan 8.240 nan 0.000 0.466 113 Y N 2.606 122.824 120.300 -0.138 0.000 2.070 113 Y HA -0.137 4.413 4.550 -0.001 0.000 0.280 113 Y C 2.538 178.375 175.900 -0.105 0.000 1.148 113 Y CA 1.434 59.472 58.100 -0.104 0.000 1.125 113 Y CB -0.946 37.472 38.460 -0.070 0.000 0.975 113 Y HN 0.248 nan 8.280 nan 0.000 0.492 114 Q N -0.230 119.376 119.800 -0.324 0.000 2.297 114 Q HA -0.145 4.195 4.340 -0.001 0.000 0.208 114 Q C 2.165 178.000 176.000 -0.275 0.000 0.981 114 Q CA 1.351 56.923 55.803 -0.386 0.000 0.876 114 Q CB -0.169 28.443 28.738 -0.210 0.000 0.921 114 Q HN 0.518 nan 8.270 nan 0.000 0.446 115 L N -1.222 119.853 121.223 -0.247 0.000 2.492 115 L HA 0.076 4.415 4.340 -0.001 0.000 0.223 115 L C 1.051 177.776 176.870 -0.241 0.000 1.132 115 L CA 0.594 55.282 54.840 -0.255 0.000 0.850 115 L CB 0.117 41.932 42.059 -0.406 0.000 0.966 115 L HN 0.457 nan 8.230 nan 0.000 0.454 116 G N 0.402 109.068 108.800 -0.223 0.000 2.134 116 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.209 116 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.209 116 G C -0.181 174.626 174.900 -0.154 0.000 0.993 116 G CA -0.372 44.627 45.100 -0.169 0.000 0.669 116 G HN 0.190 nan 8.290 nan 0.000 0.519 117 L N 0.366 121.488 121.223 -0.168 0.000 2.362 117 L HA 0.635 4.974 4.340 -0.001 0.000 0.271 117 L C -0.583 176.255 176.870 -0.054 0.000 1.002 117 L CA -1.149 53.595 54.840 -0.160 0.000 0.818 117 L CB 1.989 43.878 42.059 -0.284 0.000 1.298 117 L HN 0.112 nan 8.230 nan 0.000 0.420 118 D N 1.808 122.200 120.400 -0.013 0.000 2.280 118 D HA 0.210 4.849 4.640 -0.001 0.000 0.243 118 D C 0.700 177.011 176.300 0.018 0.000 1.129 118 D CA -0.191 53.817 54.000 0.014 0.000 0.848 118 D CB 1.510 42.321 40.800 0.018 0.000 1.107 118 D HN 0.495 nan 8.370 nan 0.000 0.471 119 M N 2.766 122.375 119.600 0.016 0.000 2.159 119 M HA -0.149 4.331 4.480 -0.001 0.000 0.263 119 M C 1.402 177.730 176.300 0.046 0.000 1.063 119 M CA 1.561 56.882 55.300 0.035 0.000 1.110 119 M CB 0.124 32.740 32.600 0.026 0.000 1.374 119 M HN 0.524 nan 8.290 nan 0.000 0.411 120 E N -0.351 119.863 120.200 0.024 0.000 2.085 120 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 120 E C 1.942 178.563 176.600 0.035 0.000 0.994 120 E CA 1.085 57.499 56.400 0.022 0.000 0.801 120 E CB -0.150 29.556 29.700 0.010 0.000 0.743 120 E HN 0.418 nan 8.360 nan 0.000 0.453 121 E N 0.801 121.026 120.200 0.042 0.000 2.204 121 E HA -0.126 4.224 4.350 -0.001 0.000 0.194 121 E C 2.006 178.651 176.600 0.075 0.000 0.989 121 E CA 0.643 57.073 56.400 0.050 0.000 0.824 121 E CB 0.054 29.783 29.700 0.050 0.000 0.756 121 E HN 0.291 nan 8.360 nan 0.000 0.477 122 L N -0.008 121.282 121.223 0.112 0.000 2.131 122 L HA -0.069 4.270 4.340 -0.001 0.000 0.206 122 L C 2.437 179.387 176.870 0.134 0.000 1.087 122 L CA 0.820 55.776 54.840 0.194 0.000 0.767 122 L CB -0.325 41.892 42.059 0.263 0.000 0.917 122 L HN 0.049 nan 8.230 nan 0.000 0.441 123 E N 0.194 120.449 120.200 0.092 0.000 2.097 123 E HA -0.236 4.114 4.350 -0.001 0.000 0.196 123 E C 1.991 178.546 176.600 -0.075 0.000 1.000 123 E CA 1.181 57.593 56.400 0.019 0.000 0.804 123 E CB 0.090 29.800 29.700 0.017 0.000 0.740 123 E HN 0.326 nan 8.360 nan 0.000 0.454 124 E N 0.222 120.401 120.200 -0.035 0.000 2.401 124 E HA -0.152 4.198 4.350 -0.001 0.000 0.199 124 E C 1.816 178.367 176.600 -0.081 0.000 1.023 124 E CA 0.453 56.829 56.400 -0.040 0.000 0.859 124 E CB 0.031 29.738 29.700 0.010 0.000 0.780 124 E HN 0.357 nan 8.360 nan 0.000 0.523 125 I N 0.732 121.218 120.570 -0.141 0.000 2.439 125 I HA -0.107 4.063 4.170 -0.001 0.000 0.251 125 I C 1.317 177.231 176.117 -0.338 0.000 1.139 125 I CA 0.385 61.584 61.300 -0.169 0.000 1.438 125 I CB -0.695 37.263 38.000 -0.070 0.000 1.085 125 I HN 0.109 nan 8.210 nan 0.000 0.427 126 E N 2.580 122.402 120.200 -0.629 0.000 2.376 126 E HA -0.051 4.299 4.350 -0.001 0.000 0.266 126 E C -0.037 176.476 176.600 -0.145 0.000 1.009 126 E CA -0.219 55.861 56.400 -0.533 0.000 0.902 126 E CB 0.751 30.122 29.700 -0.548 0.000 0.972 126 E HN 0.077 nan 8.360 nan 0.000 0.439 127 E N 3.170 123.374 120.200 0.007 0.000 2.398 127 E HA 0.039 4.389 4.350 -0.001 0.000 0.263 127 E C -0.888 175.750 176.600 0.063 0.000 1.046 127 E CA 0.001 56.467 56.400 0.109 0.000 0.908 127 E CB 0.627 30.497 29.700 0.284 0.000 0.963 127 E HN 0.460 nan 8.360 nan 0.000 0.431 128 D N 0.593 120.994 120.400 0.003 0.000 2.351 128 D HA 0.221 4.861 4.640 -0.001 0.000 0.251 128 D C -0.350 175.868 176.300 -0.137 0.000 1.137 128 D CA -0.061 53.885 54.000 -0.089 0.000 0.879 128 D CB 0.732 41.451 40.800 -0.135 0.000 1.181 128 D HN 0.380 nan 8.370 nan 0.000 0.448 129 A N 2.436 125.141 122.820 -0.191 0.000 2.537 129 A HA 0.391 4.711 4.320 -0.001 0.000 0.260 129 A C 1.164 178.244 177.584 -0.839 0.000 1.082 129 A CA -0.015 51.727 52.037 -0.492 0.000 0.765 129 A CB -0.101 18.736 19.000 -0.270 0.000 1.019 129 A HN 0.589 nan 8.150 nan 0.000 0.507 130 G N 1.927 109.668 108.800 -1.764 0.000 2.924 130 G HA2 0.405 4.365 3.960 -0.001 0.000 0.273 130 G HA3 0.405 4.365 3.960 -0.001 0.000 0.273 130 G C 0.072 174.534 174.900 -0.731 0.000 0.734 130 G CA -0.107 44.260 45.100 -1.223 0.000 2.065 130 G HN 0.535 nan 8.290 nan 0.000 0.580 131 L N 0.894 121.933 121.223 -0.307 0.000 3.333 131 L HA 0.459 4.799 4.340 -0.001 0.000 0.299 131 L C 0.951 177.886 176.870 0.108 0.000 1.256 131 L CA 0.026 54.905 54.840 0.065 0.000 1.037 131 L CB 0.169 42.286 42.059 0.098 0.000 1.423 131 L HN 0.523 nan 8.230 nan 0.000 0.605 132 G N -0.696 108.043 108.800 -0.101 0.000 2.430 132 G HA2 0.303 4.263 3.960 -0.001 0.000 0.300 132 G HA3 0.303 4.263 3.960 -0.001 0.000 0.300 132 G C -0.312 174.124 174.900 -0.772 0.000 1.330 132 G CA 0.279 45.198 45.100 -0.301 0.000 0.813 132 G HN -0.078 nan 8.290 nan 0.000 0.487 133 N N -2.659 115.416 118.700 -1.042 0.000 2.271 133 N HA 0.312 5.051 4.740 -0.001 0.000 0.267 133 N C 0.959 175.975 175.510 -0.823 0.000 0.987 133 N CA 1.477 53.943 53.050 -0.972 0.000 0.824 133 N CB 0.505 38.714 38.487 -0.464 0.000 1.775 133 N HN 0.986 nan 8.380 nan 0.000 0.728 134 G N -1.363 107.151 108.800 -0.477 0.000 3.252 134 G HA2 0.419 4.378 3.960 -0.001 0.000 0.181 134 G HA3 0.419 4.378 3.960 -0.001 0.000 0.181 134 G C 0.594 175.475 174.900 -0.032 0.000 1.187 134 G CA -0.045 44.967 45.100 -0.148 0.000 0.886 134 G HN 0.213 nan 8.290 nan 0.000 0.615 135 G N -0.432 108.379 108.800 0.018 0.000 2.471 135 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.219 135 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.219 135 G C 1.635 176.515 174.900 -0.033 0.000 1.125 135 G CA 0.632 45.748 45.100 0.028 0.000 0.775 135 G HN 0.321 nan 8.290 nan 0.000 0.548 136 L N 0.477 121.644 121.223 -0.094 0.000 2.046 136 L HA 0.031 4.370 4.340 -0.001 0.000 0.208 136 L C 2.901 179.668 176.870 -0.171 0.000 1.077 136 L CA 1.418 56.144 54.840 -0.191 0.000 0.747 136 L CB -0.366 41.563 42.059 -0.215 0.000 0.896 136 L HN 0.311 nan 8.230 nan 0.000 0.432 137 G N -1.039 107.684 108.800 -0.128 0.000 2.394 137 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.215 137 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.215 137 G C 1.705 176.644 174.900 0.065 0.000 1.165 137 G CA 0.031 45.082 45.100 -0.080 0.000 0.784 137 G HN 0.122 nan 8.290 nan 0.000 0.535 138 R N 0.024 120.620 120.500 0.160 0.000 2.115 138 R HA 0.110 4.450 4.340 -0.001 0.000 0.226 138 R C 2.433 178.768 176.300 0.058 0.000 1.100 138 R CA 0.658 56.878 56.100 0.199 0.000 0.980 138 R CB -0.792 29.658 30.300 0.250 0.000 0.875 138 R HN 0.411 nan 8.270 nan 0.000 0.445 139 L N 0.654 121.835 121.223 -0.070 0.000 2.017 139 L HA -0.047 4.293 4.340 -0.001 0.000 0.208 139 L C 2.217 178.838 176.870 -0.416 0.000 1.073 139 L CA 2.261 56.926 54.840 -0.291 0.000 0.745 139 L CB -0.851 40.992 42.059 -0.359 0.000 0.894 139 L HN 0.147 nan 8.230 nan 0.000 0.432 140 A N -0.317 122.359 122.820 -0.240 0.000 1.883 140 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 140 A C 2.472 180.110 177.584 0.090 0.000 1.186 140 A CA 2.152 54.131 52.037 -0.097 0.000 0.624 140 A CB -1.352 17.547 19.000 -0.170 0.000 0.822 140 A HN 0.613 nan 8.150 nan 0.000 0.444 141 A N -1.040 121.871 122.820 0.151 0.000 1.908 141 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 141 A C 2.343 180.001 177.584 0.123 0.000 1.181 141 A CA 1.833 53.969 52.037 0.166 0.000 0.627 141 A CB -1.348 17.734 19.000 0.138 0.000 0.818 141 A HN 0.622 nan 8.150 nan 0.000 0.445 142 C N -1.594 117.791 119.300 0.141 0.000 2.429 142 C HA -0.055 4.405 4.460 -0.001 0.000 0.277 142 C C 2.431 177.599 174.990 0.297 0.000 1.262 142 C CA 0.683 59.833 59.018 0.219 0.000 1.733 142 C CB -1.598 26.314 27.740 0.287 0.000 2.010 142 C HN 0.623 nan 8.230 nan 0.000 0.483 143 F N 1.225 121.164 119.950 -0.018 0.000 2.171 143 F HA -0.047 4.480 4.527 -0.001 0.000 0.300 143 F C 2.182 177.917 175.800 -0.109 0.000 1.090 143 F CA 0.986 58.922 58.000 -0.106 0.000 1.293 143 F CB -1.349 37.461 39.000 -0.317 0.000 1.013 143 F HN 0.218 nan 8.300 nan 0.000 0.486 144 L N -0.650 120.641 121.223 0.114 0.000 2.291 144 L HA -0.154 4.186 4.340 -0.001 0.000 0.214 144 L C 2.250 179.122 176.870 0.004 0.000 1.120 144 L CA 1.293 56.153 54.840 0.034 0.000 0.799 144 L CB -0.575 41.505 42.059 0.035 0.000 0.925 144 L HN 0.148 nan 8.230 nan 0.000 0.446 145 D N -0.017 120.398 120.400 0.025 0.000 2.137 145 D HA -0.120 4.520 4.640 -0.001 0.000 0.202 145 D C 2.006 178.315 176.300 0.016 0.000 0.970 145 D CA 1.124 55.123 54.000 -0.001 0.000 0.837 145 D CB 0.432 41.230 40.800 -0.004 0.000 0.981 145 D HN 0.165 nan 8.370 nan 0.000 0.475 146 S N 0.109 115.832 115.700 0.039 0.000 2.406 146 S HA -0.049 4.420 4.470 -0.001 0.000 0.228 146 S C 2.144 176.747 174.600 0.006 0.000 1.020 146 S CA 0.693 58.906 58.200 0.022 0.000 0.965 146 S CB -0.076 63.132 63.200 0.014 0.000 0.798 146 S HN 0.340 nan 8.310 nan 0.000 0.488 147 M N 1.176 120.773 119.600 -0.005 0.000 2.117 147 M HA -0.086 4.393 4.480 -0.001 0.000 0.262 147 M C 2.523 178.820 176.300 -0.005 0.000 1.065 147 M CA 1.435 56.730 55.300 -0.009 0.000 1.114 147 M CB -0.636 31.934 32.600 -0.049 0.000 1.361 147 M HN 0.389 nan 8.290 nan 0.000 0.408 148 A N 0.349 123.162 122.820 -0.012 0.000 1.845 148 A HA -0.150 4.169 4.320 -0.001 0.000 0.215 148 A C 2.223 179.819 177.584 0.020 0.000 1.195 148 A CA 2.319 54.355 52.037 -0.001 0.000 0.616 148 A CB -1.306 17.675 19.000 -0.031 0.000 0.832 148 A HN 0.441 nan 8.150 nan 0.000 0.443 149 T N 0.694 115.264 114.554 0.026 0.000 2.737 149 T HA -0.114 4.235 4.350 -0.001 0.000 0.269 149 T C 1.389 176.114 174.700 0.041 0.000 1.040 149 T CA 1.519 63.647 62.100 0.047 0.000 1.142 149 T CB -0.387 68.520 68.868 0.065 0.000 0.861 149 T HN 0.351 nan 8.240 nan 0.000 0.456 150 L N 0.555 121.800 121.223 0.036 0.000 2.627 150 L HA 0.294 4.633 4.340 -0.001 0.000 0.232 150 L C 1.746 178.647 176.870 0.052 0.000 1.150 150 L CA 0.073 54.937 54.840 0.040 0.000 0.917 150 L CB -0.749 41.333 42.059 0.038 0.000 1.104 150 L HN 0.445 nan 8.230 nan 0.000 0.445 151 G N 1.060 109.895 108.800 0.058 0.000 2.225 151 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.267 151 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.267 151 G C 0.262 175.215 174.900 0.089 0.000 1.024 151 G CA 0.082 45.238 45.100 0.093 0.000 0.784 151 G HN 0.313 nan 8.290 nan 0.000 0.507 152 L N -0.367 120.873 121.223 0.028 0.000 2.436 152 L HA 0.524 4.864 4.340 -0.001 0.000 0.265 152 L C 1.326 178.077 176.870 -0.199 0.000 1.168 152 L CA -0.090 54.719 54.840 -0.051 0.000 0.815 152 L CB 1.021 43.060 42.059 -0.033 0.000 1.109 152 L HN 0.260 nan 8.230 nan 0.000 0.462 153 A N 2.348 124.919 122.820 -0.414 0.000 3.056 153 A HA 0.586 4.905 4.320 -0.001 0.000 0.274 153 A C 0.236 177.501 177.584 -0.531 0.000 1.661 153 A CA -0.208 51.324 52.037 -0.842 0.000 1.363 153 A CB -0.647 17.764 19.000 -0.982 0.000 1.139 153 A HN 0.695 nan 8.150 nan 0.000 0.598 154 A N 1.093 123.636 122.820 -0.462 0.000 2.337 154 A HA 0.844 5.163 4.320 -0.001 0.000 0.331 154 A C -1.107 176.177 177.584 -0.500 0.000 1.137 154 A CA -0.429 51.380 52.037 -0.381 0.000 0.807 154 A CB 0.789 19.625 19.000 -0.273 0.000 1.250 154 A HN 0.568 nan 8.150 nan 0.000 0.468 155 Y N -0.305 119.938 120.300 -0.096 0.000 2.442 155 Y HA 0.570 5.119 4.550 -0.001 0.000 0.344 155 Y C 0.722 176.742 175.900 0.201 0.000 0.976 155 Y CA -0.739 57.399 58.100 0.062 0.000 1.040 155 Y CB 2.219 40.833 38.460 0.256 0.000 1.228 155 Y HN 0.860 nan 8.280 nan 0.000 0.451 156 G N 1.504 110.402 108.800 0.163 0.000 2.348 156 G HA2 0.513 4.472 3.960 -0.001 0.000 0.312 156 G HA3 0.513 4.472 3.960 -0.001 0.000 0.312 156 G C -1.918 173.018 174.900 0.059 0.000 1.126 156 G CA -0.344 44.861 45.100 0.176 0.000 0.865 156 G HN 0.499 nan 8.290 nan 0.000 0.474 157 Y N 0.334 120.818 120.300 0.307 0.000 2.421 157 Y HA 0.640 5.189 4.550 -0.001 0.000 0.339 157 Y C 0.660 176.842 175.900 0.470 0.000 0.996 157 Y CA 0.207 58.469 58.100 0.270 0.000 1.046 157 Y CB 2.814 41.490 38.460 0.360 0.000 1.226 157 Y HN 0.965 nan 8.280 nan 0.000 0.445 158 G N 2.023 111.135 108.800 0.520 0.000 2.578 158 G HA2 0.514 4.474 3.960 -0.001 0.000 0.302 158 G HA3 0.514 4.474 3.960 -0.001 0.000 0.302 158 G C -1.764 173.384 174.900 0.414 0.000 1.243 158 G CA -0.800 44.641 45.100 0.567 0.000 0.843 158 G HN 0.457 nan 8.290 nan 0.000 0.486 159 I N 0.229 120.935 120.570 0.226 0.000 2.707 159 I HA 0.519 4.688 4.170 -0.001 0.000 0.309 159 I C 0.304 176.327 176.117 -0.156 0.000 1.001 159 I CA -0.855 60.461 61.300 0.027 0.000 1.129 159 I CB 2.111 39.950 38.000 -0.269 0.000 1.308 159 I HN 0.319 nan 8.210 nan 0.000 0.466 160 R N 4.212 124.671 120.500 -0.068 0.000 2.280 160 R HA 0.305 4.645 4.340 -0.001 0.000 0.326 160 R C -1.617 174.660 176.300 -0.039 0.000 1.080 160 R CA -0.525 55.569 56.100 -0.010 0.000 1.002 160 R CB 0.272 30.553 30.300 -0.031 0.000 1.136 160 R HN 0.409 nan 8.270 nan 0.000 0.509 161 Y N 2.011 122.463 120.300 0.255 0.000 2.377 161 Y HA 0.030 4.579 4.550 -0.001 0.000 0.330 161 Y C 1.384 177.433 175.900 0.249 0.000 1.108 161 Y CA -0.094 58.131 58.100 0.208 0.000 1.308 161 Y CB 1.158 39.718 38.460 0.167 0.000 1.216 161 Y HN 0.577 nan 8.280 nan 0.000 0.518 162 E N 1.853 122.136 120.200 0.139 0.000 2.216 162 E HA -0.078 4.272 4.350 -0.001 0.000 0.192 162 E C 0.342 176.734 176.600 -0.347 0.000 0.988 162 E CA 0.911 57.122 56.400 -0.315 0.000 0.834 162 E CB 0.073 29.249 29.700 -0.874 0.000 0.772 162 E HN 0.642 nan 8.360 nan 0.000 0.479 163 F N -0.724 119.462 119.950 0.393 0.000 2.661 163 F HA 0.308 4.835 4.527 -0.001 0.000 0.306 163 F C 1.470 177.421 175.800 0.252 0.000 1.094 163 F CA 0.266 58.474 58.000 0.347 0.000 1.254 163 F CB 0.620 39.737 39.000 0.195 0.000 1.040 163 F HN 0.018 nan 8.300 nan 0.000 0.562 164 G N 1.516 110.513 108.800 0.329 0.000 2.815 164 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.326 164 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.326 164 G C -0.148 174.676 174.900 -0.126 0.000 1.191 164 G CA 0.506 45.607 45.100 0.001 0.000 0.965 164 G HN 0.170 nan 8.290 nan 0.000 0.564 165 I N 0.786 121.278 120.570 -0.129 0.000 2.731 165 I HA 0.409 4.579 4.170 -0.001 0.000 0.289 165 I C 0.633 176.623 176.117 -0.211 0.000 1.399 165 I CA -0.733 60.438 61.300 -0.215 0.000 1.048 165 I CB 1.293 39.051 38.000 -0.403 0.000 1.345 165 I HN 0.794 nan 8.210 nan 0.000 0.425 166 F N 5.760 125.752 119.950 0.069 0.000 2.625 166 F HA -0.031 4.495 4.527 -0.001 0.000 0.292 166 F C -0.010 175.853 175.800 0.105 0.000 1.035 166 F CA 0.154 58.212 58.000 0.097 0.000 1.259 166 F CB -0.390 38.659 39.000 0.083 0.000 0.976 166 F HN 0.493 nan 8.300 nan 0.000 0.652 167 N N 0.151 119.102 118.700 0.419 0.000 2.405 167 N HA 0.212 4.951 4.740 -0.001 0.000 0.299 167 N C -1.386 174.403 175.510 0.465 0.000 1.075 167 N CA -0.965 52.294 53.050 0.348 0.000 0.884 167 N CB 1.332 39.964 38.487 0.242 0.000 1.194 167 N HN 0.701 nan 8.380 nan 0.000 0.491 168 Q N 2.298 122.351 119.800 0.422 0.000 2.294 168 Q HA 0.167 4.507 4.340 -0.001 0.000 0.257 168 Q C -1.086 175.062 176.000 0.245 0.000 0.955 168 Q CA -0.315 55.710 55.803 0.370 0.000 0.936 168 Q CB 0.700 29.675 28.738 0.396 0.000 1.188 168 Q HN 0.420 nan 8.270 nan 0.000 0.420 169 K N 4.727 125.242 120.400 0.190 0.000 2.270 169 K HA 0.373 4.692 4.320 -0.001 0.000 0.255 169 K C -1.015 175.671 176.600 0.142 0.000 0.936 169 K CA -0.693 55.687 56.287 0.155 0.000 0.809 169 K CB 1.005 33.583 32.500 0.131 0.000 1.131 169 K HN 0.559 nan 8.250 nan 0.000 0.427 170 I N 4.838 125.488 120.570 0.134 0.000 2.306 170 I HA 0.181 4.351 4.170 -0.001 0.000 0.288 170 I C -0.668 175.511 176.117 0.105 0.000 1.036 170 I CA -0.644 60.728 61.300 0.120 0.000 1.221 170 I CB 0.514 38.592 38.000 0.129 0.000 1.385 170 I HN 0.642 nan 8.210 nan 0.000 0.472 171 C N 4.682 124.059 119.300 0.129 0.000 2.239 171 C HA 0.544 5.003 4.460 -0.001 0.000 0.323 171 C C 1.280 176.379 174.990 0.183 0.000 1.205 171 C CA -0.293 58.804 59.018 0.132 0.000 1.584 171 C CB -0.076 27.736 27.740 0.120 0.000 2.201 171 C HN 1.066 nan 8.230 nan 0.000 0.475 172 G N 2.612 111.482 108.800 0.116 0.000 2.198 172 G HA2 0.113 4.073 3.960 -0.001 0.000 0.260 172 G HA3 0.113 4.073 3.960 -0.001 0.000 0.260 172 G C 0.976 175.858 174.900 -0.031 0.000 1.025 172 G CA 0.731 45.889 45.100 0.098 0.000 0.769 172 G HN 2.164 nan 8.290 nan 0.000 0.507 173 G N -2.825 105.921 108.800 -0.090 0.000 2.194 173 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.236 173 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.236 173 G C 0.344 175.026 174.900 -0.363 0.000 0.987 173 G CA 0.429 45.356 45.100 -0.287 0.000 0.635 173 G HN 1.169 nan 8.290 nan 0.000 0.520 174 W N 1.075 122.340 121.300 -0.058 0.000 2.512 174 W HA 0.678 5.337 4.660 -0.001 0.000 0.335 174 W C 0.635 177.123 176.519 -0.053 0.000 1.088 174 W CA -0.928 56.380 57.345 -0.062 0.000 1.236 174 W CB 0.894 30.334 29.460 -0.033 0.000 1.307 174 W HN 0.189 nan 8.180 nan 0.000 0.567 175 Q N 3.153 123.071 119.800 0.197 0.000 2.304 175 Q HA 0.244 4.584 4.340 -0.001 0.000 0.260 175 Q C -0.583 175.465 176.000 0.080 0.000 0.965 175 Q CA 0.029 55.903 55.803 0.119 0.000 0.898 175 Q CB 0.630 29.421 28.738 0.089 0.000 1.196 175 Q HN 0.334 nan 8.270 nan 0.000 0.402 176 M N 4.100 123.732 119.600 0.053 0.000 2.311 176 M HA 0.259 4.738 4.480 -0.001 0.000 0.325 176 M C -0.860 175.401 176.300 -0.064 0.000 1.061 176 M CA -0.598 54.702 55.300 0.001 0.000 0.957 176 M CB 1.765 34.390 32.600 0.040 0.000 1.646 176 M HN 0.616 nan 8.290 nan 0.000 0.434 177 E N 2.843 122.923 120.200 -0.199 0.000 2.073 177 E HA 0.428 4.778 4.350 -0.001 0.000 0.269 177 E C -0.903 175.644 176.600 -0.088 0.000 0.917 177 E CA -0.332 55.857 56.400 -0.352 0.000 0.757 177 E CB 1.085 30.162 29.700 -1.039 0.000 1.111 177 E HN 0.568 nan 8.360 nan 0.000 0.410 178 E N 1.411 121.659 120.200 0.080 0.000 2.314 178 E HA 0.499 4.849 4.350 -0.001 0.000 0.262 178 E C -0.332 176.387 176.600 0.197 0.000 1.093 178 E CA -0.953 55.520 56.400 0.122 0.000 0.908 178 E CB 1.207 30.991 29.700 0.140 0.000 1.091 178 E HN 0.642 nan 8.360 nan 0.000 0.425 179 A N 1.462 124.377 122.820 0.157 0.000 2.401 179 A HA 0.067 4.386 4.320 -0.001 0.000 0.259 179 A C -0.267 177.475 177.584 0.263 0.000 1.103 179 A CA -0.232 51.919 52.037 0.189 0.000 0.789 179 A CB 0.201 19.261 19.000 0.099 0.000 1.035 179 A HN 0.566 nan 8.150 nan 0.000 0.491 180 D N 2.011 122.616 120.400 0.341 0.000 2.557 180 D HA 0.219 4.859 4.640 -0.001 0.000 0.236 180 D C -0.843 175.754 176.300 0.495 0.000 1.154 180 D CA -0.398 53.819 54.000 0.362 0.000 0.985 180 D CB 0.258 41.226 40.800 0.281 0.000 1.010 180 D HN 0.453 nan 8.370 nan 0.000 0.516 181 D N 2.749 123.401 120.400 0.420 0.000 2.564 181 D HA -0.024 4.615 4.640 -0.001 0.000 0.226 181 D C 1.543 177.972 176.300 0.214 0.000 1.149 181 D CA -0.863 53.331 54.000 0.325 0.000 0.994 181 D CB -0.300 40.660 40.800 0.267 0.000 1.029 181 D HN 0.498 nan 8.370 nan 0.000 0.517 182 W N 1.664 123.022 121.300 0.097 0.000 2.387 182 W HA -0.089 4.571 4.660 -0.000 0.000 0.272 182 W C 0.076 176.651 176.519 0.093 0.000 1.224 182 W CA -0.013 57.397 57.345 0.107 0.000 1.210 182 W CB -0.781 28.734 29.460 0.091 0.000 1.125 182 W HN 0.178 nan 8.180 nan 0.000 0.572 183 L N 1.114 121.977 121.223 -0.600 0.000 2.685 183 L HA 0.214 4.554 4.340 -0.001 0.000 0.233 183 L C 2.644 179.328 176.870 -0.311 0.000 1.173 183 L CA -0.146 54.324 54.840 -0.616 0.000 0.961 183 L CB -0.567 40.915 42.059 -0.961 0.000 1.217 183 L HN -0.099 nan 8.230 nan 0.000 0.478 184 R N 0.042 120.404 120.500 -0.230 0.000 2.091 184 R HA -0.187 4.152 4.340 -0.001 0.000 0.238 184 R C 1.135 177.082 176.300 -0.587 0.000 1.136 184 R CA 1.924 57.769 56.100 -0.426 0.000 0.959 184 R CB 0.015 29.961 30.300 -0.590 0.000 0.856 184 R HN 0.333 nan 8.270 nan 0.000 0.437 185 Y N -1.132 119.172 120.300 0.006 0.000 2.467 185 Y HA 0.358 4.908 4.550 -0.001 0.000 0.250 185 Y C 0.794 176.698 175.900 0.006 0.000 1.155 185 Y CA 0.306 58.386 58.100 -0.032 0.000 1.249 185 Y CB 1.047 39.487 38.460 -0.033 0.000 1.146 185 Y HN 0.283 nan 8.280 nan 0.000 0.524 186 G N 1.513 110.383 108.800 0.117 0.000 2.663 186 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.686 186 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.686 186 G C -1.279 173.770 174.900 0.250 0.000 1.288 186 G CA -0.681 44.498 45.100 0.132 0.000 0.836 186 G HN 0.344 nan 8.290 nan 0.000 0.584 187 N N 0.794 119.563 118.700 0.114 0.000 2.504 187 N HA 0.587 5.327 4.740 -0.001 0.000 0.280 187 N C -0.720 174.750 175.510 -0.067 0.000 1.052 187 N CA -1.675 51.408 53.050 0.055 0.000 0.887 187 N CB 2.312 40.812 38.487 0.022 0.000 1.323 187 N HN 0.259 nan 8.380 nan 0.000 0.509 188 P HA -0.043 nan 4.420 nan 0.000 0.225 188 P C 0.484 177.375 177.300 -0.683 0.000 1.148 188 P CA 0.934 63.601 63.100 -0.722 0.000 0.779 188 P CB 0.103 30.984 31.700 -1.365 0.000 0.780 189 W N 1.787 123.029 121.300 -0.098 0.000 2.576 189 W HA 0.048 4.708 4.660 -0.000 0.000 0.270 189 W C 1.395 177.912 176.519 -0.004 0.000 1.255 189 W CA -0.318 56.980 57.345 -0.078 0.000 1.314 189 W CB -0.297 29.117 29.460 -0.077 0.000 1.101 189 W HN 0.008 nan 8.180 nan 0.000 0.595 190 E N 1.653 121.987 120.200 0.223 0.000 2.349 190 E HA 0.250 4.600 4.350 -0.001 0.000 0.262 190 E C -0.228 176.526 176.600 0.256 0.000 1.088 190 E CA -0.488 56.062 56.400 0.248 0.000 0.899 190 E CB 1.018 30.875 29.700 0.262 0.000 1.044 190 E HN -0.376 nan 8.360 nan 0.000 0.420 191 K N 1.287 121.856 120.400 0.282 0.000 2.545 191 K HA 0.376 4.696 4.320 -0.001 0.000 0.252 191 K C -1.230 175.410 176.600 0.067 0.000 0.948 191 K CA -0.774 55.630 56.287 0.196 0.000 0.827 191 K CB 1.546 34.186 32.500 0.235 0.000 1.128 191 K HN 0.684 nan 8.250 nan 0.000 0.429 192 A N 4.221 126.993 122.820 -0.079 0.000 2.462 192 A HA 0.336 4.656 4.320 -0.001 0.000 0.243 192 A C 0.020 177.422 177.584 -0.303 0.000 1.076 192 A CA -0.049 51.651 52.037 -0.561 0.000 0.773 192 A CB 0.249 18.956 19.000 -0.487 0.000 1.010 192 A HN 0.556 nan 8.150 nan 0.000 0.493 193 R N 2.732 123.056 120.500 -0.293 0.000 3.057 193 R HA 0.223 4.563 4.340 -0.001 0.000 0.291 193 R C -2.384 173.886 176.300 -0.049 0.000 1.394 193 R CA -1.983 54.096 56.100 -0.034 0.000 1.630 193 R CB 0.130 30.582 30.300 0.253 0.000 1.268 193 R HN 0.471 nan 8.270 nan 0.000 0.621 194 P HA -0.232 nan 4.420 nan 0.000 0.217 194 P C 0.655 177.878 177.300 -0.127 0.000 1.162 194 P CA 1.440 64.481 63.100 -0.098 0.000 0.901 194 P CB 0.428 32.068 31.700 -0.100 0.000 0.793 195 E N -1.267 118.770 120.200 -0.272 0.000 2.197 195 E HA -0.215 4.135 4.350 -0.001 0.000 0.205 195 E C 1.412 177.718 176.600 -0.490 0.000 1.029 195 E CA 1.435 57.553 56.400 -0.470 0.000 0.828 195 E CB -1.247 27.927 29.700 -0.877 0.000 0.737 195 E HN 0.385 nan 8.360 nan 0.000 0.464 196 F N 0.485 120.445 119.950 0.017 0.000 2.765 196 F HA 0.158 4.685 4.527 -0.000 0.000 0.302 196 F C 0.523 176.402 175.800 0.131 0.000 1.111 196 F CA -0.047 57.995 58.000 0.071 0.000 1.359 196 F CB -0.493 38.552 39.000 0.076 0.000 1.097 196 F HN -0.297 nan 8.300 nan 0.000 0.577 197 T N 3.647 118.334 114.554 0.222 0.000 2.849 197 T HA 0.103 4.453 4.350 -0.001 0.000 0.289 197 T C 0.130 174.913 174.700 0.138 0.000 1.010 197 T CA 0.615 62.829 62.100 0.191 0.000 1.161 197 T CB 0.060 68.991 68.868 0.104 0.000 0.989 197 T HN 0.012 nan 8.240 nan 0.000 0.523 198 L N 6.246 127.526 121.223 0.094 0.000 2.341 198 L HA 0.576 4.915 4.340 -0.001 0.000 0.267 198 L C -2.101 174.730 176.870 -0.065 0.000 1.009 198 L CA -2.520 52.315 54.840 -0.009 0.000 0.819 198 L CB 2.414 44.401 42.059 -0.121 0.000 1.323 198 L HN 0.403 nan 8.230 nan 0.000 0.425 199 P HA 0.319 nan 4.420 nan 0.000 0.290 199 P C -1.240 175.905 177.300 -0.258 0.000 1.275 199 P CA -0.451 62.547 63.100 -0.171 0.000 0.841 199 P CB 2.330 33.910 31.700 -0.201 0.000 1.042 200 V N 3.449 123.193 119.914 -0.283 0.000 2.628 200 V HA 0.373 4.493 4.120 -0.001 0.000 0.306 200 V C 0.259 176.101 176.094 -0.420 0.000 1.045 200 V CA -0.600 61.523 62.300 -0.294 0.000 0.905 200 V CB 1.406 33.105 31.823 -0.206 0.000 0.997 200 V HN 0.611 nan 8.190 nan 0.000 0.436 201 H N 3.266 122.176 119.070 -0.267 0.000 2.529 201 H HA 0.655 5.211 4.556 -0.001 0.000 0.348 201 H C -1.451 173.615 175.328 -0.437 0.000 1.152 201 H CA -0.278 55.534 56.048 -0.393 0.000 1.202 201 H CB 2.152 31.432 29.762 -0.803 0.000 1.562 201 H HN 0.467 nan 8.280 nan 0.000 0.515 202 F N 0.197 120.200 119.950 0.090 0.000 2.613 202 F HA 0.209 4.736 4.527 -0.001 0.000 0.310 202 F C -0.237 175.665 175.800 0.170 0.000 1.085 202 F CA -0.612 57.452 58.000 0.106 0.000 0.945 202 F CB 0.810 39.787 39.000 -0.038 0.000 1.298 202 F HN 0.581 nan 8.300 nan 0.000 0.455 203 Y N 0.309 120.911 120.300 0.504 0.000 2.896 203 Y HA 0.008 4.558 4.550 -0.001 0.000 0.466 203 Y C 1.413 177.551 175.900 0.397 0.000 1.197 203 Y CA 0.906 59.217 58.100 0.352 0.000 2.513 203 Y CB -1.845 36.745 38.460 0.217 0.000 1.232 203 Y HN 1.358 nan 8.280 nan 0.000 0.632 204 G N 0.529 109.586 108.800 0.429 0.000 2.584 204 G HA2 0.185 4.145 3.960 -0.001 0.000 0.229 204 G HA3 0.185 4.145 3.960 -0.001 0.000 0.229 204 G C -0.729 174.385 174.900 0.356 0.000 1.320 204 G CA 0.806 46.092 45.100 0.310 0.000 0.891 204 G HN 1.361 nan 8.290 nan 0.000 0.573 205 R N -2.756 117.966 120.500 0.370 0.000 2.728 205 R HA 0.645 4.985 4.340 -0.001 0.000 0.274 205 R C -1.489 174.949 176.300 0.230 0.000 1.032 205 R CA -1.035 55.218 56.100 0.254 0.000 0.866 205 R CB 1.225 31.623 30.300 0.163 0.000 1.263 205 R HN 0.903 nan 8.270 nan 0.000 0.475 206 V N 0.869 120.846 119.914 0.104 0.000 2.370 206 V HA 0.323 4.443 4.120 -0.001 0.000 0.283 206 V C -0.249 175.823 176.094 -0.036 0.000 1.023 206 V CA -0.444 61.848 62.300 -0.013 0.000 0.857 206 V CB 1.325 33.061 31.823 -0.146 0.000 0.985 206 V HN 0.743 nan 8.190 nan 0.000 0.443 207 E N 3.620 123.785 120.200 -0.057 0.000 2.081 207 E HA 0.258 4.608 4.350 -0.001 0.000 0.276 207 E C -0.527 176.014 176.600 -0.098 0.000 0.950 207 E CA -0.640 55.750 56.400 -0.016 0.000 0.776 207 E CB 0.446 30.156 29.700 0.016 0.000 1.094 207 E HN 0.690 nan 8.360 nan 0.000 0.402 208 H N 4.372 123.459 119.070 0.029 0.000 3.118 208 H HA 0.023 4.579 4.556 -0.001 0.000 0.266 208 H C 0.899 176.238 175.328 0.018 0.000 1.465 208 H CA 0.183 56.242 56.048 0.019 0.000 1.460 208 H CB 0.137 29.906 29.762 0.013 0.000 1.661 208 H HN 0.633 nan 8.280 nan 0.000 0.516 209 T N -0.498 114.097 114.554 0.069 0.000 5.079 209 T HA -0.016 4.333 4.350 -0.001 0.000 0.289 209 T C 1.994 176.729 174.700 0.058 0.000 0.923 209 T CA 0.430 62.563 62.100 0.055 0.000 1.458 209 T CB -0.249 68.636 68.868 0.028 0.000 1.841 209 T HN 0.429 nan 8.240 nan 0.000 0.357 210 S N 0.929 116.653 115.700 0.040 0.000 2.331 210 S HA -0.119 4.351 4.470 -0.001 0.000 0.208 210 S C 2.292 176.915 174.600 0.039 0.000 1.032 210 S CA 1.158 59.379 58.200 0.035 0.000 0.991 210 S CB -1.220 61.996 63.200 0.027 0.000 0.980 210 S HN 0.693 nan 8.310 nan 0.000 0.433 211 Q N 2.310 122.131 119.800 0.034 0.000 2.020 211 Q HA 0.263 4.602 4.340 -0.001 0.000 0.202 211 Q C 0.983 177.012 176.000 0.049 0.000 0.982 211 Q CA 1.813 57.637 55.803 0.035 0.000 0.838 211 Q CB -0.820 27.933 28.738 0.026 0.000 0.899 211 Q HN 0.845 nan 8.270 nan 0.000 0.423 212 G N -1.847 106.982 108.800 0.048 0.000 2.455 212 G HA2 0.406 4.366 3.960 -0.001 0.000 0.223 212 G HA3 0.406 4.366 3.960 -0.001 0.000 0.223 212 G C -1.407 173.494 174.900 0.003 0.000 1.226 212 G CA -0.424 44.718 45.100 0.071 0.000 0.948 212 G HN 0.513 nan 8.290 nan 0.000 0.478 213 A N 0.089 122.867 122.820 -0.070 0.000 2.531 213 A HA 0.528 4.848 4.320 -0.001 0.000 0.236 213 A C 0.229 177.749 177.584 -0.106 0.000 1.062 213 A CA 0.748 52.649 52.037 -0.226 0.000 0.760 213 A CB 0.125 18.948 19.000 -0.296 0.000 0.995 213 A HN 0.489 nan 8.150 nan 0.000 0.501 214 K N 1.697 122.043 120.400 -0.090 0.000 2.545 214 K HA 0.129 4.449 4.320 -0.001 0.000 0.252 214 K C -1.708 174.927 176.600 0.058 0.000 0.948 214 K CA -0.345 55.935 56.287 -0.011 0.000 0.827 214 K CB 1.574 34.069 32.500 -0.007 0.000 1.128 214 K HN 0.791 nan 8.250 nan 0.000 0.429 215 W N 6.098 127.320 121.300 -0.130 0.000 2.416 215 W HA 0.251 4.911 4.660 -0.000 0.000 0.318 215 W C -0.450 176.020 176.519 -0.082 0.000 1.150 215 W CA -0.772 56.506 57.345 -0.111 0.000 1.392 215 W CB -0.126 29.255 29.460 -0.131 0.000 1.311 215 W HN 0.213 nan 8.180 nan 0.000 0.436 216 V N 2.892 122.869 119.914 0.106 0.000 2.994 216 V HA 0.562 4.682 4.120 -0.001 0.000 0.318 216 V C -0.138 175.947 176.094 -0.015 0.000 1.085 216 V CA -1.108 61.190 62.300 -0.004 0.000 0.998 216 V CB 1.766 33.609 31.823 0.032 0.000 1.063 216 V HN 0.454 nan 8.190 nan 0.000 0.447 217 D N 0.373 120.761 120.400 -0.021 0.000 2.697 217 D HA -0.134 4.506 4.640 -0.001 0.000 0.238 217 D C 0.428 176.738 176.300 0.016 0.000 1.152 217 D CA 1.472 55.480 54.000 0.014 0.000 0.666 217 D CB -1.559 39.272 40.800 0.052 0.000 1.037 217 D HN 1.224 nan 8.370 nan 0.000 0.423 218 T N -2.947 111.577 114.554 -0.050 0.000 2.929 218 T HA 0.504 4.853 4.350 -0.001 0.000 0.284 218 T C 0.266 175.018 174.700 0.087 0.000 1.014 218 T CA -1.022 61.053 62.100 -0.042 0.000 1.051 218 T CB 2.810 71.452 68.868 -0.377 0.000 1.028 218 T HN 0.259 nan 8.240 nan 0.000 0.485 219 Q N 1.065 120.983 119.800 0.197 0.000 2.306 219 Q HA 0.555 4.895 4.340 -0.001 0.000 0.241 219 Q C -1.337 174.753 176.000 0.149 0.000 0.948 219 Q CA -0.740 55.192 55.803 0.215 0.000 0.886 219 Q CB 0.969 29.911 28.738 0.340 0.000 1.227 219 Q HN 0.588 nan 8.270 nan 0.000 0.457 220 V N 3.407 123.373 119.914 0.086 0.000 2.715 220 V HA 0.576 4.696 4.120 -0.001 0.000 0.310 220 V C -0.703 175.452 176.094 0.103 0.000 1.054 220 V CA -0.659 61.604 62.300 -0.061 0.000 0.928 220 V CB 2.115 33.851 31.823 -0.145 0.000 1.007 220 V HN 0.721 nan 8.190 nan 0.000 0.437 221 V N 4.713 124.696 119.914 0.114 0.000 2.841 221 V HA 0.540 4.659 4.120 -0.001 0.000 0.310 221 V C -0.573 175.624 176.094 0.172 0.000 1.090 221 V CA -0.679 61.746 62.300 0.209 0.000 0.930 221 V CB 1.972 34.009 31.823 0.357 0.000 1.014 221 V HN 0.629 nan 8.190 nan 0.000 0.425 222 L N 2.814 124.146 121.223 0.182 0.000 2.334 222 L HA 0.862 5.202 4.340 -0.001 0.000 0.275 222 L C 0.309 177.370 176.870 0.320 0.000 1.036 222 L CA -0.603 54.335 54.840 0.163 0.000 0.807 222 L CB 1.652 43.773 42.059 0.103 0.000 1.231 222 L HN 0.781 nan 8.230 nan 0.000 0.438 223 A N 4.294 127.228 122.820 0.191 0.000 2.277 223 A HA 0.591 4.910 4.320 -0.001 0.000 0.318 223 A C -0.532 177.271 177.584 0.364 0.000 1.339 223 A CA -0.422 51.736 52.037 0.202 0.000 0.875 223 A CB 0.843 19.524 19.000 -0.532 0.000 1.158 223 A HN 0.778 nan 8.150 nan 0.000 0.514 224 M N 6.039 125.918 119.600 0.465 0.000 2.157 224 M HA 0.396 4.876 4.480 -0.001 0.000 0.354 224 M C -2.468 174.088 176.300 0.426 0.000 1.170 224 M CA -2.142 53.392 55.300 0.390 0.000 1.060 224 M CB 1.982 34.729 32.600 0.245 0.000 1.615 224 M HN 0.407 nan 8.290 nan 0.000 0.460 225 P HA 0.216 nan 4.420 nan 0.000 0.284 225 P C -1.937 175.280 177.300 -0.138 0.000 1.253 225 P CA -0.090 62.924 63.100 -0.143 0.000 0.800 225 P CB 0.758 32.160 31.700 -0.496 0.000 0.961 226 Y N 0.659 120.886 120.300 -0.122 0.000 2.468 226 Y HA 0.400 4.950 4.550 -0.001 0.000 0.342 226 Y C 0.509 176.371 175.900 -0.064 0.000 1.021 226 Y CA -0.159 57.922 58.100 -0.031 0.000 1.079 226 Y CB 1.442 39.906 38.460 0.005 0.000 1.226 226 Y HN 0.261 nan 8.280 nan 0.000 0.460 227 D N 0.825 121.323 120.400 0.163 0.000 2.350 227 D HA 0.482 5.122 4.640 -0.001 0.000 0.245 227 D C -0.880 175.572 176.300 0.253 0.000 1.036 227 D CA -0.431 53.686 54.000 0.195 0.000 0.848 227 D CB 2.039 43.052 40.800 0.356 0.000 1.307 227 D HN 0.382 nan 8.370 nan 0.000 0.469 228 T N 1.941 116.543 114.554 0.079 0.000 2.841 228 T HA 0.550 4.899 4.350 -0.001 0.000 0.283 228 T C -2.627 171.810 174.700 -0.439 0.000 1.000 228 T CA -1.514 60.529 62.100 -0.094 0.000 0.977 228 T CB 2.129 70.962 68.868 -0.058 0.000 0.979 228 T HN 0.093 nan 8.240 nan 0.000 0.446 229 P HA 0.396 nan 4.420 nan 0.000 0.284 229 P C -0.886 176.052 177.300 -0.603 0.000 1.253 229 P CA -0.660 61.710 63.100 -1.216 0.000 0.800 229 P CB 0.800 31.534 31.700 -1.610 0.000 0.961 230 V N 0.831 120.475 119.914 -0.451 0.000 2.376 230 V HA 0.589 4.708 4.120 -0.001 0.000 0.287 230 V C -2.741 173.212 176.094 -0.235 0.000 1.015 230 V CA -2.867 59.255 62.300 -0.296 0.000 0.834 230 V CB 1.681 33.377 31.823 -0.211 0.000 1.001 230 V HN 0.359 nan 8.190 nan 0.000 0.428 231 P HA 0.333 nan 4.420 nan 0.000 0.281 231 P C 0.473 177.721 177.300 -0.086 0.000 1.252 231 P CA 0.560 63.574 63.100 -0.145 0.000 0.778 231 P CB 1.508 33.123 31.700 -0.142 0.000 0.895 232 G N 2.501 111.267 108.800 -0.056 0.000 2.572 232 G HA2 0.117 4.077 3.960 -0.001 0.000 0.261 232 G HA3 0.117 4.077 3.960 -0.001 0.000 0.261 232 G C -1.064 173.844 174.900 0.013 0.000 1.197 232 G CA -0.382 44.712 45.100 -0.009 0.000 0.870 232 G HN 0.430 nan 8.290 nan 0.000 0.548 233 Y N 0.795 121.055 120.300 -0.067 0.000 2.674 233 Y HA 0.187 4.736 4.550 -0.001 0.000 0.354 233 Y C 1.408 177.271 175.900 -0.063 0.000 1.089 233 Y CA -0.252 57.805 58.100 -0.072 0.000 1.444 233 Y CB 0.024 38.439 38.460 -0.075 0.000 1.187 233 Y HN 0.742 nan 8.280 nan 0.000 0.523 234 R N 1.880 122.040 120.500 -0.566 0.000 3.913 234 R HA -0.336 4.004 4.340 -0.001 0.000 0.308 234 R C 0.534 176.697 176.300 -0.229 0.000 1.225 234 R CA 1.594 57.414 56.100 -0.467 0.000 0.869 234 R CB -1.957 27.918 30.300 -0.708 0.000 1.266 234 R HN 0.924 nan 8.270 nan 0.000 0.534 235 N N -1.184 117.431 118.700 -0.141 0.000 2.205 235 N HA 0.048 4.787 4.740 -0.001 0.000 0.201 235 N C -0.099 175.361 175.510 -0.083 0.000 1.128 235 N CA -0.133 52.866 53.050 -0.086 0.000 0.867 235 N CB 0.422 38.882 38.487 -0.044 0.000 0.996 235 N HN 0.084 nan 8.380 nan 0.000 0.503 236 N N -0.051 118.596 118.700 -0.089 0.000 2.800 236 N HA -0.152 4.587 4.740 -0.001 0.000 0.250 236 N C -0.490 174.976 175.510 -0.073 0.000 1.078 236 N CA 1.072 54.077 53.050 -0.075 0.000 0.804 236 N CB -1.550 36.894 38.487 -0.071 0.000 1.135 236 N HN 0.468 nan 8.380 nan 0.000 0.565 237 V N -1.369 118.507 119.914 -0.064 0.000 2.439 237 V HA 0.666 4.786 4.120 -0.001 0.000 0.282 237 V C 0.254 176.326 176.094 -0.037 0.000 1.039 237 V CA -0.544 61.724 62.300 -0.052 0.000 0.913 237 V CB 2.042 33.866 31.823 0.001 0.000 0.983 237 V HN -0.072 nan 8.190 nan 0.000 0.460 238 V N 6.830 126.728 119.914 -0.026 0.000 2.378 238 V HA 0.526 4.645 4.120 -0.001 0.000 0.288 238 V C 0.087 176.169 176.094 -0.019 0.000 1.016 238 V CA -0.568 61.688 62.300 -0.073 0.000 0.840 238 V CB 1.267 33.033 31.823 -0.095 0.000 0.994 238 V HN 1.011 nan 8.190 nan 0.000 0.431 239 N N 2.101 120.748 118.700 -0.088 0.000 2.491 239 N HA 0.530 5.270 4.740 -0.001 0.000 0.279 239 N C -0.156 175.267 175.510 -0.146 0.000 1.236 239 N CA -0.353 52.660 53.050 -0.061 0.000 0.982 239 N CB 1.407 39.824 38.487 -0.117 0.000 1.194 239 N HN 0.572 nan 8.380 nan 0.000 0.582 240 T N 0.911 115.391 114.554 -0.124 0.000 2.797 240 T HA 0.365 4.715 4.350 -0.001 0.000 0.279 240 T C -0.021 174.592 174.700 -0.144 0.000 0.991 240 T CA -0.468 61.624 62.100 -0.013 0.000 0.979 240 T CB 0.857 69.874 68.868 0.247 0.000 0.943 240 T HN 0.259 nan 8.240 nan 0.000 0.444 241 M N 3.762 123.247 119.600 -0.191 0.000 2.088 241 M HA 0.522 5.002 4.480 -0.001 0.000 0.346 241 M C -0.514 175.609 176.300 -0.294 0.000 1.111 241 M CA -0.809 54.309 55.300 -0.302 0.000 1.017 241 M CB 0.573 32.963 32.600 -0.350 0.000 1.568 241 M HN 0.456 nan 8.290 nan 0.000 0.445 242 R N 4.716 124.940 120.500 -0.460 0.000 2.265 242 R HA 0.574 4.914 4.340 -0.001 0.000 0.328 242 R C -2.133 173.806 176.300 -0.601 0.000 0.969 242 R CA -0.387 55.364 56.100 -0.581 0.000 0.832 242 R CB 0.825 30.546 30.300 -0.965 0.000 1.139 242 R HN 0.637 nan 8.270 nan 0.000 0.457 243 L N 5.454 126.434 121.223 -0.406 0.000 2.341 243 L HA 0.522 4.861 4.340 -0.001 0.000 0.278 243 L C -1.055 175.712 176.870 -0.173 0.000 1.005 243 L CA -0.633 54.072 54.840 -0.225 0.000 0.818 243 L CB 1.251 43.278 42.059 -0.053 0.000 1.259 243 L HN 0.640 nan 8.230 nan 0.000 0.418 244 W N 2.195 123.602 121.300 0.179 0.000 2.316 244 W HA 0.611 5.270 4.660 -0.001 0.000 0.321 244 W C 0.607 177.327 176.519 0.335 0.000 1.203 244 W CA -0.277 57.204 57.345 0.227 0.000 1.214 244 W CB 1.309 30.812 29.460 0.073 0.000 1.169 244 W HN 0.434 nan 8.180 nan 0.000 0.561 245 S N 1.562 117.653 115.700 0.653 0.000 2.503 245 S HA 0.797 5.266 4.470 -0.001 0.000 0.301 245 S C -0.604 174.325 174.600 0.549 0.000 1.087 245 S CA -0.715 57.763 58.200 0.463 0.000 1.042 245 S CB 0.755 64.199 63.200 0.406 0.000 1.043 245 S HN 0.520 nan 8.310 nan 0.000 0.489 246 A N 3.933 126.917 122.820 0.274 0.000 2.290 246 A HA 0.669 4.988 4.320 -0.001 0.000 0.310 246 A C -0.273 177.402 177.584 0.151 0.000 1.202 246 A CA -0.538 51.576 52.037 0.128 0.000 0.837 246 A CB 0.470 19.268 19.000 -0.335 0.000 1.139 246 A HN 0.726 nan 8.150 nan 0.000 0.509 247 K N 2.429 122.942 120.400 0.188 0.000 2.471 247 K HA 0.613 4.933 4.320 -0.001 0.000 0.252 247 K C -0.483 176.181 176.600 0.106 0.000 0.938 247 K CA -0.542 55.827 56.287 0.136 0.000 0.796 247 K CB 1.752 34.343 32.500 0.152 0.000 1.161 247 K HN 0.848 nan 8.250 nan 0.000 0.425 248 A N 4.898 127.765 122.820 0.079 0.000 2.440 248 A HA 0.364 4.684 4.320 -0.001 0.000 0.251 248 A C -2.335 175.207 177.584 -0.069 0.000 1.089 248 A CA -1.209 50.871 52.037 0.072 0.000 0.779 248 A CB -0.265 18.819 19.000 0.140 0.000 1.022 248 A HN 0.495 nan 8.150 nan 0.000 0.492 249 P HA 0.105 nan 4.420 nan 0.000 0.267 249 P C -0.461 176.446 177.300 -0.654 0.000 1.209 249 P CA 0.118 63.067 63.100 -0.252 0.000 0.763 249 P CB 0.352 31.968 31.700 -0.139 0.000 0.816 250 N N 2.549 120.931 118.700 -0.530 0.000 2.679 250 N HA 0.026 4.765 4.740 -0.001 0.000 0.302 250 N C -0.238 175.050 175.510 -0.370 0.000 1.941 250 N CA -0.020 52.617 53.050 -0.689 0.000 0.875 250 N CB 0.581 38.832 38.487 -0.394 0.000 1.278 250 N HN 0.414 nan 8.380 nan 0.000 0.490 251 D N -0.440 119.746 120.400 -0.357 0.000 2.249 251 D HA -0.080 4.559 4.640 -0.001 0.000 0.205 251 D C 0.661 176.929 176.300 -0.052 0.000 0.962 251 D CA 0.324 54.236 54.000 -0.145 0.000 0.860 251 D CB -0.276 40.471 40.800 -0.089 0.000 0.955 251 D HN 0.259 nan 8.370 nan 0.000 0.505 252 F N 0.706 120.649 119.950 -0.012 0.000 2.506 252 F HA 0.499 5.026 4.527 -0.001 0.000 0.371 252 F C 0.919 176.702 175.800 -0.030 0.000 1.078 252 F CA -1.154 56.831 58.000 -0.025 0.000 1.195 252 F CB 0.135 39.124 39.000 -0.018 0.000 1.099 252 F HN -0.001 nan 8.300 nan 0.000 0.548 253 N N 3.010 121.818 118.700 0.180 0.000 2.439 253 N HA 0.073 4.813 4.740 -0.001 0.000 0.318 253 N C -0.603 174.914 175.510 0.013 0.000 0.676 253 N CA 0.476 53.570 53.050 0.073 0.000 0.624 253 N CB 0.031 38.540 38.487 0.037 0.000 2.376 253 N HN 0.624 nan 8.380 nan 0.000 1.245 254 L N -1.911 119.312 121.223 0.000 0.000 2.567 254 L HA 0.631 4.971 4.340 -0.001 0.000 0.294 254 L C -1.037 175.788 176.870 -0.075 0.000 1.365 254 L CA -0.664 54.130 54.840 -0.077 0.000 0.669 254 L CB 0.671 42.659 42.059 -0.117 0.000 0.989 254 L HN -0.054 nan 8.230 nan 0.000 0.519 255 K N 1.079 121.482 120.400 0.005 0.000 2.371 255 K HA 0.600 4.920 4.320 -0.001 0.000 0.251 255 K C -0.553 176.087 176.600 0.068 0.000 0.934 255 K CA 0.274 56.581 56.287 0.033 0.000 0.798 255 K CB 2.606 35.137 32.500 0.052 0.000 1.204 255 K HN 0.461 nan 8.250 nan 0.000 0.427 256 D N 2.145 122.592 120.400 0.077 0.000 2.487 256 D HA -0.161 4.479 4.640 -0.001 0.000 0.256 256 D C -1.224 175.195 176.300 0.197 0.000 0.617 256 D CA 0.721 54.789 54.000 0.115 0.000 1.647 256 D CB -0.913 39.952 40.800 0.108 0.000 1.351 256 D HN 0.405 nan 8.370 nan 0.000 0.720 257 F N 0.423 120.395 119.950 0.037 0.000 2.165 257 F HA 0.216 4.743 4.527 -0.001 0.000 0.530 257 F C -0.201 175.614 175.800 0.025 0.000 1.300 257 F CA 0.917 58.933 58.000 0.028 0.000 1.698 257 F CB -1.066 37.947 39.000 0.022 0.000 2.728 257 F HN 0.534 nan 8.300 nan 0.000 0.721 258 N N 1.095 119.933 118.700 0.230 0.000 2.458 258 N HA 0.011 4.750 4.740 -0.001 0.000 0.329 258 N C -0.269 175.255 175.510 0.023 0.000 0.778 258 N CA 0.393 53.527 53.050 0.140 0.000 0.837 258 N CB -0.266 38.270 38.487 0.081 0.000 2.427 258 N HN 0.805 nan 8.380 nan 0.000 1.134 259 V N -0.136 119.697 119.914 -0.136 0.000 2.644 259 V HA 0.596 4.716 4.120 -0.001 0.000 0.305 259 V C 1.258 177.252 176.094 -0.166 0.000 1.053 259 V CA 0.822 63.001 62.300 -0.203 0.000 1.186 259 V CB 0.147 31.775 31.823 -0.325 0.000 0.895 259 V HN 0.797 nan 8.190 nan 0.000 0.490 260 G N 2.857 111.602 108.800 -0.091 0.000 2.010 260 G HA2 0.305 4.264 3.960 -0.001 0.000 0.088 260 G HA3 0.305 4.264 3.960 -0.001 0.000 0.088 260 G C 0.933 175.826 174.900 -0.012 0.000 1.216 260 G CA 0.517 45.592 45.100 -0.042 0.000 1.074 260 G HN 1.690 nan 8.290 nan 0.000 0.300 261 G N 0.357 109.173 108.800 0.026 0.000 3.376 261 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.310 261 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.310 261 G C 0.650 175.638 174.900 0.147 0.000 1.137 261 G CA 2.554 47.695 45.100 0.068 0.000 1.061 261 G HN 1.818 nan 8.290 nan 0.000 1.152 262 Y N -2.114 118.162 120.300 -0.039 0.000 2.732 262 Y HA 0.446 4.996 4.550 -0.000 0.000 0.342 262 Y C -0.957 174.906 175.900 -0.061 0.000 1.203 262 Y CA -1.132 56.943 58.100 -0.042 0.000 1.092 262 Y CB 0.668 39.106 38.460 -0.036 0.000 1.345 262 Y HN 0.246 nan 8.280 nan 0.000 0.458 263 I N 5.326 125.729 120.570 -0.279 0.000 2.227 263 I HA 0.150 4.319 4.170 -0.001 0.000 0.297 263 I C -0.027 176.075 176.117 -0.025 0.000 1.173 263 I CA -0.239 60.964 61.300 -0.162 0.000 1.356 263 I CB 0.226 38.093 38.000 -0.221 0.000 1.485 263 I HN 0.378 nan 8.210 nan 0.000 0.604 264 Q N 5.083 124.894 119.800 0.018 0.000 2.823 264 Q HA 0.401 4.740 4.340 -0.001 0.000 0.370 264 Q C 0.238 176.171 176.000 -0.112 0.000 1.110 264 Q CA -0.237 55.567 55.803 0.002 0.000 0.990 264 Q CB 0.898 29.648 28.738 0.020 0.000 1.383 264 Q HN 0.686 nan 8.270 nan 0.000 0.430 265 A N -0.473 122.227 122.820 -0.200 0.000 2.699 265 A HA 0.273 4.592 4.320 -0.001 0.000 0.242 265 A C 0.953 178.305 177.584 -0.388 0.000 1.142 265 A CA 0.019 51.808 52.037 -0.413 0.000 1.008 265 A CB 0.327 18.925 19.000 -0.671 0.000 1.232 265 A HN 0.172 nan 8.150 nan 0.000 0.574 266 V N 0.292 120.102 119.914 -0.174 0.000 2.346 266 V HA -0.145 3.975 4.120 -0.001 0.000 0.244 266 V C 2.439 178.513 176.094 -0.034 0.000 1.037 266 V CA 2.143 64.402 62.300 -0.069 0.000 1.029 266 V CB -0.557 31.247 31.823 -0.031 0.000 0.663 266 V HN 0.630 nan 8.190 nan 0.000 0.454 267 L N 0.074 121.274 121.223 -0.039 0.000 2.017 267 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 267 L C 2.517 179.378 176.870 -0.014 0.000 1.073 267 L CA 2.013 56.844 54.840 -0.016 0.000 0.745 267 L CB -0.796 41.252 42.059 -0.017 0.000 0.894 267 L HN 0.396 nan 8.230 nan 0.000 0.432 268 D N 0.517 120.883 120.400 -0.056 0.000 2.116 268 D HA -0.214 4.426 4.640 -0.001 0.000 0.193 268 D C 2.257 178.622 176.300 0.109 0.000 0.998 268 D CA 1.584 55.589 54.000 0.009 0.000 0.836 268 D CB 0.069 40.833 40.800 -0.060 0.000 0.951 268 D HN 0.255 nan 8.370 nan 0.000 0.449 269 R N 0.463 121.057 120.500 0.156 0.000 2.082 269 R HA -0.144 4.196 4.340 -0.001 0.000 0.234 269 R C 2.487 178.863 176.300 0.127 0.000 1.136 269 R CA 1.377 57.613 56.100 0.228 0.000 0.935 269 R CB -0.887 29.553 30.300 0.234 0.000 0.842 269 R HN 0.355 nan 8.270 nan 0.000 0.430 270 N N 1.304 120.056 118.700 0.087 0.000 2.061 270 N HA -0.196 4.544 4.740 -0.001 0.000 0.193 270 N C 1.859 177.406 175.510 0.061 0.000 1.030 270 N CA 1.469 54.561 53.050 0.070 0.000 0.856 270 N CB -0.024 38.495 38.487 0.053 0.000 1.023 270 N HN 0.196 nan 8.380 nan 0.000 0.424 271 L N 0.620 121.872 121.223 0.048 0.000 2.156 271 L HA -0.041 4.299 4.340 -0.001 0.000 0.208 271 L C 2.745 179.622 176.870 0.012 0.000 1.095 271 L CA 0.851 55.709 54.840 0.030 0.000 0.770 271 L CB -0.405 41.667 42.059 0.022 0.000 0.914 271 L HN 0.220 nan 8.230 nan 0.000 0.439 272 A N 0.159 123.002 122.820 0.037 0.000 1.858 272 A HA -0.230 4.090 4.320 -0.001 0.000 0.216 272 A C 2.154 179.731 177.584 -0.010 0.000 1.190 272 A CA 1.684 53.733 52.037 0.020 0.000 0.617 272 A CB -0.463 18.593 19.000 0.094 0.000 0.827 272 A HN 0.426 nan 8.150 nan 0.000 0.443 273 E N 0.237 120.461 120.200 0.041 0.000 2.058 273 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 273 E C 1.477 178.112 176.600 0.058 0.000 0.997 273 E CA 1.432 57.865 56.400 0.054 0.000 0.801 273 E CB -0.481 29.271 29.700 0.086 0.000 0.746 273 E HN 0.976 nan 8.360 nan 0.000 0.450 274 N N 0.832 119.575 118.700 0.071 0.000 2.501 274 N HA -0.004 4.735 4.740 -0.001 0.000 0.195 274 N C 1.592 177.150 175.510 0.080 0.000 1.213 274 N CA -0.090 53.021 53.050 0.102 0.000 0.864 274 N CB -0.083 38.478 38.487 0.124 0.000 0.999 274 N HN 0.138 nan 8.380 nan 0.000 0.454 275 I N 0.529 121.086 120.570 -0.022 0.000 2.286 275 I HA -0.219 3.951 4.170 -0.001 0.000 0.248 275 I C 1.453 177.565 176.117 -0.008 0.000 1.115 275 I CA 1.127 62.378 61.300 -0.083 0.000 1.392 275 I CB -0.012 37.734 38.000 -0.423 0.000 1.065 275 I HN 0.236 nan 8.210 nan 0.000 0.418 276 S N -0.396 115.300 115.700 -0.006 0.000 2.556 276 S HA 0.140 4.610 4.470 -0.001 0.000 0.216 276 S C 1.758 176.495 174.600 0.228 0.000 0.970 276 S CA -0.093 58.151 58.200 0.072 0.000 0.912 276 S CB 0.112 63.330 63.200 0.031 0.000 0.790 276 S HN 0.339 nan 8.310 nan 0.000 0.504 277 R N 0.373 121.024 120.500 0.251 0.000 2.127 277 R HA 0.231 4.571 4.340 -0.001 0.000 0.217 277 R C 0.023 176.590 176.300 0.446 0.000 1.074 277 R CA 0.654 56.984 56.100 0.382 0.000 0.991 277 R CB 0.256 30.814 30.300 0.431 0.000 0.895 277 R HN 0.149 nan 8.270 nan 0.000 0.450 278 V N 0.332 120.379 119.914 0.222 0.000 3.087 278 V HA 0.221 4.341 4.120 -0.001 0.000 0.306 278 V C -0.467 175.343 176.094 -0.473 0.000 1.187 278 V CA -0.888 61.391 62.300 -0.035 0.000 0.999 278 V CB 2.615 34.411 31.823 -0.045 0.000 1.049 278 V HN 0.026 nan 8.190 nan 0.000 0.431 279 L N 2.466 123.247 121.223 -0.737 0.000 2.475 279 L HA 0.398 4.738 4.340 -0.001 0.000 0.250 279 L C -1.158 175.288 176.870 -0.708 0.000 1.224 279 L CA 0.358 54.649 54.840 -0.914 0.000 0.821 279 L CB 0.553 42.144 42.059 -0.781 0.000 1.141 279 L HN 0.603 nan 8.230 nan 0.000 0.494 280 Y N -0.519 119.697 120.300 -0.139 0.000 2.656 280 Y HA 0.574 5.124 4.550 -0.001 0.000 0.334 280 Y C -2.231 173.647 175.900 -0.038 0.000 1.179 280 Y CA -1.508 56.568 58.100 -0.039 0.000 1.050 280 Y CB 1.293 39.763 38.460 0.017 0.000 1.308 280 Y HN 0.377 nan 8.280 nan 0.000 0.456 288 G N 0.294 109.079 108.800 -0.026 0.000 3.005 288 G HA2 0.520 4.479 3.960 -0.001 0.000 0.342 288 G HA3 0.520 4.479 3.960 -0.001 0.000 0.342 288 G C -0.894 174.155 174.900 0.248 0.000 1.101 288 G CA -0.391 44.730 45.100 0.036 0.000 1.225 288 G HN 0.465 nan 8.290 nan 0.000 0.462 289 K N 1.380 121.954 120.400 0.289 0.000 2.443 289 K HA 0.330 4.649 4.320 -0.001 0.000 0.251 289 K C 0.478 177.129 176.600 0.084 0.000 0.972 289 K CA -0.698 55.664 56.287 0.125 0.000 0.833 289 K CB 2.343 34.816 32.500 -0.046 0.000 1.317 289 K HN 0.233 nan 8.250 nan 0.000 0.441 290 E N 1.908 122.122 120.200 0.024 0.000 2.130 290 E HA -0.194 4.156 4.350 -0.001 0.000 0.196 290 E C 1.579 178.122 176.600 -0.095 0.000 0.998 290 E CA 1.200 57.564 56.400 -0.061 0.000 0.806 290 E CB 0.080 29.768 29.700 -0.021 0.000 0.738 290 E HN 0.610 nan 8.360 nan 0.000 0.459 291 L N 0.408 121.599 121.223 -0.053 0.000 2.042 291 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 291 L C 2.693 179.590 176.870 0.044 0.000 1.076 291 L CA 1.230 56.067 54.840 -0.005 0.000 0.749 291 L CB -0.223 41.880 42.059 0.073 0.000 0.893 291 L HN 0.180 nan 8.230 nan 0.000 0.432 292 R N -0.706 119.794 120.500 -0.000 0.000 2.081 292 R HA -0.193 4.146 4.340 -0.001 0.000 0.235 292 R C 2.084 178.403 176.300 0.031 0.000 1.131 292 R CA 1.199 57.371 56.100 0.120 0.000 0.960 292 R CB -0.604 29.812 30.300 0.192 0.000 0.856 292 R HN 0.250 nan 8.270 nan 0.000 0.436 293 L N 1.736 122.802 121.223 -0.261 0.000 2.093 293 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 293 L C 1.917 178.710 176.870 -0.129 0.000 1.085 293 L CA 1.777 56.308 54.840 -0.515 0.000 0.755 293 L CB -0.264 41.230 42.059 -0.941 0.000 0.904 293 L HN -0.026 nan 8.230 nan 0.000 0.435 294 K N -1.082 119.272 120.400 -0.076 0.000 2.025 294 K HA -0.172 4.147 4.320 -0.001 0.000 0.207 294 K C 2.096 178.855 176.600 0.265 0.000 1.049 294 K CA 1.577 57.867 56.287 0.004 0.000 0.933 294 K CB -0.171 32.130 32.500 -0.332 0.000 0.714 294 K HN 0.450 nan 8.250 nan 0.000 0.438 295 Q N 0.710 120.626 119.800 0.194 0.000 2.077 295 Q HA -0.238 4.101 4.340 -0.001 0.000 0.206 295 Q C 1.978 178.178 176.000 0.334 0.000 0.989 295 Q CA 1.759 57.732 55.803 0.283 0.000 0.853 295 Q CB -0.067 28.856 28.738 0.308 0.000 0.907 295 Q HN 0.394 nan 8.270 nan 0.000 0.418 296 E N -0.536 119.821 120.200 0.261 0.000 2.072 296 E HA -0.197 4.152 4.350 -0.001 0.000 0.191 296 E C 1.759 178.494 176.600 0.225 0.000 0.985 296 E CA 0.939 57.483 56.400 0.240 0.000 0.801 296 E CB -0.145 29.679 29.700 0.206 0.000 0.750 296 E HN 0.340 nan 8.360 nan 0.000 0.452 297 Y N 0.485 120.852 120.300 0.112 0.000 2.263 297 Y HA -0.186 4.364 4.550 -0.001 0.000 0.292 297 Y C 1.956 177.918 175.900 0.103 0.000 1.130 297 Y CA 0.895 59.023 58.100 0.047 0.000 1.179 297 Y CB -0.345 38.133 38.460 0.030 0.000 0.998 297 Y HN 0.010 nan 8.280 nan 0.000 0.532 298 F N -0.405 119.554 119.950 0.016 0.000 2.091 298 F HA -0.243 4.284 4.527 -0.001 0.000 0.299 298 F C 2.396 178.018 175.800 -0.297 0.000 1.103 298 F CA 2.037 59.964 58.000 -0.123 0.000 1.228 298 F CB -0.954 38.129 39.000 0.137 0.000 0.984 298 F HN -0.070 nan 8.300 nan 0.000 0.477 299 V N -0.592 119.273 119.914 -0.082 0.000 2.548 299 V HA -0.160 3.960 4.120 -0.001 0.000 0.249 299 V C 2.192 178.124 176.094 -0.270 0.000 1.055 299 V CA 1.642 63.834 62.300 -0.181 0.000 1.065 299 V CB -0.235 31.714 31.823 0.210 0.000 0.681 299 V HN 0.264 nan 8.190 nan 0.000 0.462 300 V N 0.495 120.272 119.914 -0.228 0.000 2.295 300 V HA -0.217 3.903 4.120 -0.001 0.000 0.246 300 V C 2.789 178.640 176.094 -0.406 0.000 1.049 300 V CA 2.242 64.403 62.300 -0.232 0.000 1.024 300 V CB -1.007 30.744 31.823 -0.120 0.000 0.648 300 V HN 0.641 nan 8.190 nan 0.000 0.447 301 A N -0.307 122.110 122.820 -0.673 0.000 1.877 301 A HA -0.098 4.221 4.320 -0.001 0.000 0.216 301 A C 2.403 179.639 177.584 -0.580 0.000 1.186 301 A CA 2.114 53.757 52.037 -0.658 0.000 0.620 301 A CB -0.830 17.614 19.000 -0.927 0.000 0.822 301 A HN 0.570 nan 8.150 nan 0.000 0.443 302 A N -1.116 121.191 122.820 -0.855 0.000 1.877 302 A HA -0.075 4.245 4.320 -0.001 0.000 0.216 302 A C 2.329 179.430 177.584 -0.804 0.000 1.186 302 A CA 2.314 53.664 52.037 -1.145 0.000 0.620 302 A CB -1.332 16.315 19.000 -2.255 0.000 0.822 302 A HN 0.417 nan 8.150 nan 0.000 0.443 303 T N 0.137 114.344 114.554 -0.579 0.000 2.708 303 T HA -0.113 4.236 4.350 -0.001 0.000 0.266 303 T C 1.739 176.214 174.700 -0.375 0.000 1.037 303 T CA 1.615 63.531 62.100 -0.306 0.000 1.146 303 T CB -0.326 68.331 68.868 -0.352 0.000 0.865 303 T HN 0.201 nan 8.240 nan 0.000 0.435 304 L N 0.975 122.007 121.223 -0.319 0.000 2.201 304 L HA -0.010 4.330 4.340 -0.001 0.000 0.212 304 L C 2.607 179.390 176.870 -0.146 0.000 1.105 304 L CA 1.495 56.200 54.840 -0.225 0.000 0.775 304 L CB -0.651 41.307 42.059 -0.169 0.000 0.913 304 L HN 0.285 nan 8.230 nan 0.000 0.440 305 Q N -0.970 118.737 119.800 -0.155 0.000 2.046 305 Q HA -0.234 4.106 4.340 -0.001 0.000 0.200 305 Q C 1.793 177.789 176.000 -0.007 0.000 0.975 305 Q CA 1.714 57.473 55.803 -0.072 0.000 0.836 305 Q CB -0.066 28.614 28.738 -0.097 0.000 0.896 305 Q HN 0.426 nan 8.270 nan 0.000 0.428 306 D N 0.376 120.776 120.400 -0.000 0.000 2.117 306 D HA -0.124 4.515 4.640 -0.001 0.000 0.197 306 D C 1.694 177.978 176.300 -0.026 0.000 0.987 306 D CA 0.906 54.954 54.000 0.080 0.000 0.829 306 D CB -0.053 40.921 40.800 0.289 0.000 0.961 306 D HN 0.159 nan 8.370 nan 0.000 0.460 307 I N 0.301 120.752 120.570 -0.199 0.000 2.163 307 I HA -0.268 3.901 4.170 -0.001 0.000 0.243 307 I C 2.331 178.485 176.117 0.062 0.000 1.085 307 I CA 0.858 61.977 61.300 -0.301 0.000 1.347 307 I CB -0.210 37.478 38.000 -0.519 0.000 1.044 307 I HN 0.097 nan 8.210 nan 0.000 0.408 308 I N -0.052 120.621 120.570 0.171 0.000 2.252 308 I HA -0.282 3.888 4.170 -0.001 0.000 0.245 308 I C 2.785 179.095 176.117 0.321 0.000 1.102 308 I CA 1.112 62.630 61.300 0.363 0.000 1.385 308 I CB -0.543 37.611 38.000 0.256 0.000 1.064 308 I HN 0.239 nan 8.210 nan 0.000 0.414 309 R N 1.093 121.712 120.500 0.198 0.000 2.094 309 R HA -0.236 4.104 4.340 -0.001 0.000 0.239 309 R C 2.509 178.916 176.300 0.178 0.000 1.137 309 R CA 1.967 58.169 56.100 0.170 0.000 0.943 309 R CB -0.260 30.123 30.300 0.138 0.000 0.850 309 R HN 0.249 nan 8.270 nan 0.000 0.433 310 R N -0.618 119.979 120.500 0.163 0.000 2.115 310 R HA -0.127 4.212 4.340 -0.001 0.000 0.226 310 R C 2.205 178.662 176.300 0.261 0.000 1.100 310 R CA 1.246 57.448 56.100 0.170 0.000 0.980 310 R CB -0.306 30.060 30.300 0.111 0.000 0.875 310 R HN 0.236 nan 8.270 nan 0.000 0.445 311 F N 1.552 121.593 119.950 0.152 0.000 2.134 311 F HA -0.135 4.392 4.527 -0.001 0.000 0.299 311 F C 1.677 177.637 175.800 0.267 0.000 1.097 311 F CA 1.565 59.675 58.000 0.185 0.000 1.264 311 F CB 0.024 39.121 39.000 0.162 0.000 1.001 311 F HN -0.136 nan 8.300 nan 0.000 0.479 312 K N 0.218 120.702 120.400 0.140 0.000 2.031 312 K HA -0.117 4.203 4.320 -0.001 0.000 0.205 312 K C 2.443 179.037 176.600 -0.010 0.000 1.049 312 K CA 1.578 57.856 56.287 -0.015 0.000 0.939 312 K CB -0.344 32.224 32.500 0.113 0.000 0.717 312 K HN 0.439 nan 8.250 nan 0.000 0.438 313 S N 0.849 116.591 115.700 0.070 0.000 2.329 313 S HA -0.059 4.410 4.470 -0.001 0.000 0.215 313 S C 1.184 175.824 174.600 0.067 0.000 1.031 313 S CA 0.568 58.811 58.200 0.072 0.000 0.985 313 S CB -0.412 62.854 63.200 0.111 0.000 0.917 313 S HN 0.001 nan 8.310 nan 0.000 0.441 314 S N 2.592 118.377 115.700 0.142 0.000 2.898 314 S HA 0.283 4.753 4.470 -0.001 0.000 0.324 314 S C 0.304 174.705 174.600 -0.331 0.000 1.171 314 S CA 0.095 58.345 58.200 0.084 0.000 1.288 314 S CB -0.273 63.045 63.200 0.197 0.000 1.490 314 S HN 0.505 nan 8.310 nan 0.000 0.570 315 K N 0.459 120.604 120.400 -0.425 0.000 3.595 315 K HA -0.227 4.093 4.320 -0.001 0.000 0.284 315 K C 0.272 176.307 176.600 -0.942 0.000 1.150 315 K CA 1.977 57.846 56.287 -0.697 0.000 1.056 315 K CB -1.841 30.134 32.500 -0.875 0.000 1.354 315 K HN 0.582 nan 8.250 nan 0.000 0.448 316 F N -1.028 118.726 119.950 -0.327 0.000 2.727 316 F HA 0.328 4.855 4.527 -0.001 0.000 0.302 316 F C 2.134 177.691 175.800 -0.405 0.000 1.097 316 F CA 0.378 58.081 58.000 -0.495 0.000 1.330 316 F CB 0.201 38.530 39.000 -1.118 0.000 1.084 316 F HN 0.152 nan 8.300 nan 0.000 0.578 317 G N -0.441 108.248 108.800 -0.186 0.000 2.459 317 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.213 317 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.213 317 G C 1.531 176.384 174.900 -0.078 0.000 1.155 317 G CA 0.939 45.984 45.100 -0.092 0.000 0.811 317 G HN 0.412 nan 8.290 nan 0.000 0.534 318 C N 0.312 119.540 119.300 -0.119 0.000 2.455 318 C HA 0.163 4.622 4.460 -0.001 0.000 0.281 318 C C 1.775 176.705 174.990 -0.100 0.000 1.237 318 C CA -0.244 58.710 59.018 -0.107 0.000 1.726 318 C CB -0.959 26.694 27.740 -0.145 0.000 2.068 318 C HN 0.284 nan 8.230 nan 0.000 0.466 319 R N 2.514 122.924 120.500 -0.151 0.000 2.878 319 R HA 0.012 4.352 4.340 -0.001 0.000 0.239 319 R C 0.649 176.940 176.300 -0.015 0.000 1.515 319 R CA 0.287 56.342 56.100 -0.076 0.000 1.210 319 R CB -0.506 29.734 30.300 -0.100 0.000 1.209 319 R HN 0.619 nan 8.270 nan 0.000 0.610 320 D N 3.151 123.548 120.400 -0.006 0.000 2.216 320 D HA 0.013 4.652 4.640 -0.001 0.000 0.208 320 D C -1.145 175.185 176.300 0.050 0.000 0.960 320 D CA -0.254 53.759 54.000 0.022 0.000 0.861 320 D CB -0.108 40.705 40.800 0.022 0.000 0.985 320 D HN 0.196 nan 8.370 nan 0.000 0.493 321 P HA -0.288 nan 4.420 nan 0.000 0.268 321 P C 0.246 177.580 177.300 0.056 0.000 0.791 321 P CA 1.754 64.883 63.100 0.048 0.000 1.007 321 P CB -0.358 31.376 31.700 0.056 0.000 0.863 322 V N -0.138 119.819 119.914 0.073 0.000 2.311 322 V HA 0.465 4.585 4.120 -0.001 0.000 0.275 322 V C -0.230 175.927 176.094 0.106 0.000 1.022 322 V CA -0.678 61.669 62.300 0.078 0.000 0.830 322 V CB 0.135 32.003 31.823 0.075 0.000 1.012 322 V HN 0.201 nan 8.190 nan 0.000 0.452 323 R N 4.017 124.577 120.500 0.100 0.000 2.879 323 R HA -0.171 4.169 4.340 -0.001 0.000 0.241 323 R C 0.514 176.935 176.300 0.201 0.000 0.845 323 R CA 1.202 57.379 56.100 0.129 0.000 0.599 323 R CB -2.565 27.805 30.300 0.117 0.000 1.213 323 R HN 1.122 nan 8.270 nan 0.000 0.510 324 T N 0.022 114.662 114.554 0.143 0.000 3.044 324 T HA -0.268 4.081 4.350 -0.001 0.000 0.450 324 T C 0.183 174.933 174.700 0.084 0.000 0.774 324 T CA 0.911 63.066 62.100 0.091 0.000 2.290 324 T CB -0.834 68.094 68.868 0.099 0.000 1.648 324 T HN 0.529 nan 8.240 nan 0.000 0.569 325 N N 0.458 119.231 118.700 0.121 0.000 2.434 325 N HA 0.244 4.984 4.740 -0.001 0.000 0.272 325 N C 1.046 176.664 175.510 0.180 0.000 1.040 325 N CA -0.469 52.695 53.050 0.189 0.000 0.956 325 N CB 0.484 39.088 38.487 0.196 0.000 1.108 325 N HN 0.265 nan 8.380 nan 0.000 0.481 326 F N 1.041 121.118 119.950 0.211 0.000 2.411 326 F HA -0.180 4.347 4.527 -0.001 0.000 0.299 326 F C 2.052 177.881 175.800 0.048 0.000 1.077 326 F CA 0.609 58.642 58.000 0.054 0.000 1.439 326 F CB -0.019 38.886 39.000 -0.159 0.000 1.085 326 F HN 0.525 nan 8.300 nan 0.000 0.564 327 D N 0.267 120.773 120.400 0.177 0.000 2.203 327 D HA -0.223 4.417 4.640 -0.001 0.000 0.199 327 D C 2.183 178.525 176.300 0.071 0.000 0.997 327 D CA 1.557 55.621 54.000 0.107 0.000 0.863 327 D CB -0.058 40.798 40.800 0.094 0.000 0.928 327 D HN 0.379 nan 8.370 nan 0.000 0.458 328 A N -0.468 122.395 122.820 0.072 0.000 2.238 328 A HA 0.031 4.350 4.320 -0.001 0.000 0.210 328 A C 1.679 179.211 177.584 -0.086 0.000 1.179 328 A CA -0.263 51.772 52.037 -0.003 0.000 0.827 328 A CB -0.448 18.533 19.000 -0.031 0.000 0.856 328 A HN 0.147 nan 8.150 nan 0.000 0.488 329 F N 1.862 121.627 119.950 -0.308 0.000 2.126 329 F HA -0.085 4.441 4.527 -0.001 0.000 0.299 329 F C -0.950 174.672 175.800 -0.297 0.000 1.096 329 F CA 1.992 59.630 58.000 -0.604 0.000 1.255 329 F CB -0.696 37.917 39.000 -0.645 0.000 0.997 329 F HN 0.178 nan 8.300 nan 0.000 0.479 330 P HA -0.074 nan 4.420 nan 0.000 0.226 330 P C 0.684 177.903 177.300 -0.135 0.000 1.153 330 P CA 1.386 64.415 63.100 -0.117 0.000 0.777 330 P CB 0.025 31.691 31.700 -0.057 0.000 0.794 331 D N -1.222 119.098 120.400 -0.134 0.000 2.327 331 D HA 0.016 4.656 4.640 -0.001 0.000 0.205 331 D C 1.420 177.648 176.300 -0.119 0.000 0.989 331 D CA 0.827 54.770 54.000 -0.095 0.000 0.873 331 D CB 0.139 40.903 40.800 -0.059 0.000 0.955 331 D HN 0.111 nan 8.370 nan 0.000 0.515 332 K N 0.203 120.477 120.400 -0.210 0.000 2.374 332 K HA 0.237 4.557 4.320 -0.001 0.000 0.202 332 K C -0.113 176.349 176.600 -0.231 0.000 1.040 332 K CA 0.001 56.179 56.287 -0.182 0.000 1.085 332 K CB 2.378 34.765 32.500 -0.188 0.000 0.873 332 K HN -0.058 nan 8.250 nan 0.000 0.539 333 V N 0.849 120.549 119.914 -0.358 0.000 2.760 333 V HA 0.650 4.769 4.120 -0.001 0.000 0.309 333 V C -1.107 174.886 176.094 -0.169 0.000 1.077 333 V CA -1.292 60.831 62.300 -0.295 0.000 0.910 333 V CB 1.925 33.297 31.823 -0.752 0.000 1.008 333 V HN 0.113 nan 8.190 nan 0.000 0.424 334 A N 5.510 128.288 122.820 -0.069 0.000 2.356 334 A HA 0.935 5.255 4.320 -0.001 0.000 0.310 334 A C -1.059 176.552 177.584 0.046 0.000 1.075 334 A CA -0.461 51.570 52.037 -0.011 0.000 0.746 334 A CB 1.046 19.991 19.000 -0.092 0.000 1.221 334 A HN 0.756 nan 8.150 nan 0.000 0.443 335 I N 1.554 122.199 120.570 0.126 0.000 2.436 335 I HA 0.378 4.548 4.170 -0.001 0.000 0.289 335 I C -0.422 175.798 176.117 0.171 0.000 1.010 335 I CA -0.606 60.783 61.300 0.148 0.000 1.098 335 I CB 2.159 40.221 38.000 0.102 0.000 1.266 335 I HN 0.701 nan 8.210 nan 0.000 0.434 336 Q N 5.686 125.589 119.800 0.171 0.000 2.333 336 Q HA 0.519 4.859 4.340 -0.001 0.000 0.265 336 Q C -1.678 174.359 176.000 0.063 0.000 0.989 336 Q CA -0.519 55.409 55.803 0.208 0.000 0.842 336 Q CB 1.592 30.530 28.738 0.333 0.000 1.262 336 Q HN 0.470 nan 8.270 nan 0.000 0.451 337 L N 4.231 125.526 121.223 0.121 0.000 2.265 337 L HA 0.451 4.791 4.340 -0.001 0.000 0.289 337 L C -0.843 176.122 176.870 0.158 0.000 1.033 337 L CA -0.141 54.776 54.840 0.129 0.000 0.814 337 L CB 1.110 43.273 42.059 0.173 0.000 1.203 337 L HN 0.591 nan 8.230 nan 0.000 0.423 338 N N 3.823 122.563 118.700 0.067 0.000 2.527 338 N HA 0.320 5.059 4.740 -0.001 0.000 0.236 338 N C -0.725 174.844 175.510 0.098 0.000 0.999 338 N CA -0.112 52.992 53.050 0.091 0.000 0.935 338 N CB 0.359 38.778 38.487 -0.113 0.000 1.132 338 N HN 0.486 nan 8.380 nan 0.000 0.511 339 D N -1.028 119.506 120.400 0.223 0.000 5.377 339 D HA -0.204 4.435 4.640 -0.001 0.000 0.315 339 D C 0.643 177.022 176.300 0.133 0.000 2.498 339 D CA 1.318 55.407 54.000 0.148 0.000 1.245 339 D CB -0.181 40.466 40.800 -0.255 0.000 1.150 339 D HN 0.522 nan 8.370 nan 0.000 1.307 340 T N -3.009 111.527 114.554 -0.031 0.000 3.129 340 T HA 0.050 4.400 4.350 -0.001 0.000 0.251 340 T C 1.455 176.196 174.700 0.068 0.000 1.117 340 T CA 1.347 63.445 62.100 -0.003 0.000 1.034 340 T CB -0.387 68.476 68.868 -0.007 0.000 0.968 340 T HN 0.485 nan 8.240 nan 0.000 0.526 341 H N 2.460 121.642 119.070 0.187 0.000 2.387 341 H HA 0.032 4.588 4.556 -0.001 0.000 0.299 341 H C -0.771 174.667 175.328 0.185 0.000 1.090 341 H CA 1.002 57.174 56.048 0.207 0.000 1.332 341 H CB -0.663 29.210 29.762 0.185 0.000 1.386 341 H HN 0.443 nan 8.280 nan 0.000 0.516 342 P HA 0.099 nan 4.420 nan 0.000 0.254 342 P C 0.489 177.858 177.300 0.115 0.000 1.620 342 P CA 0.331 63.533 63.100 0.170 0.000 1.050 342 P CB 0.515 32.305 31.700 0.149 0.000 1.539 343 S N -0.095 115.671 115.700 0.110 0.000 2.419 343 S HA -0.100 4.370 4.470 -0.001 0.000 0.233 343 S C 1.867 176.501 174.600 0.057 0.000 1.016 343 S CA 0.631 58.858 58.200 0.045 0.000 0.974 343 S CB -1.402 61.808 63.200 0.017 0.000 0.786 343 S HN 0.152 nan 8.310 nan 0.000 0.492 344 L N 1.129 122.403 121.223 0.086 0.000 2.551 344 L HA -0.042 4.297 4.340 -0.001 0.000 0.230 344 L C 2.872 179.796 176.870 0.089 0.000 1.163 344 L CA 0.655 55.540 54.840 0.074 0.000 0.826 344 L CB -0.770 41.335 42.059 0.076 0.000 0.943 344 L HN 0.469 nan 8.230 nan 0.000 0.452 345 A N 0.480 123.335 122.820 0.058 0.000 1.933 345 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 345 A C 2.167 179.766 177.584 0.024 0.000 1.175 345 A CA 1.441 53.494 52.037 0.027 0.000 0.628 345 A CB -0.400 18.606 19.000 0.010 0.000 0.814 345 A HN 0.346 nan 8.150 nan 0.000 0.444 346 I N 0.383 120.969 120.570 0.028 0.000 2.133 346 I HA -0.141 4.028 4.170 -0.001 0.000 0.238 346 I C -0.335 175.827 176.117 0.074 0.000 1.074 346 I CA 1.558 62.873 61.300 0.026 0.000 1.342 346 I CB -0.886 37.133 38.000 0.031 0.000 1.053 346 I HN 0.243 nan 8.210 nan 0.000 0.404 347 P HA -0.203 nan 4.420 nan 0.000 0.219 347 P C 1.271 178.647 177.300 0.126 0.000 1.146 347 P CA 1.596 64.773 63.100 0.128 0.000 0.808 347 P CB 0.060 31.867 31.700 0.178 0.000 0.779 348 E N 0.234 120.550 120.200 0.193 0.000 2.046 348 E HA -0.130 4.220 4.350 -0.001 0.000 0.190 348 E C 1.982 178.588 176.600 0.010 0.000 0.982 348 E CA 0.619 57.144 56.400 0.208 0.000 0.800 348 E CB -1.271 28.578 29.700 0.249 0.000 0.756 348 E HN 0.010 nan 8.360 nan 0.000 0.449 349 L N 0.025 121.221 121.223 -0.045 0.000 2.046 349 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 349 L C 2.161 178.912 176.870 -0.199 0.000 1.077 349 L CA 1.755 56.508 54.840 -0.144 0.000 0.747 349 L CB -0.498 41.479 42.059 -0.137 0.000 0.896 349 L HN 0.228 nan 8.230 nan 0.000 0.432 350 M N -0.952 118.554 119.600 -0.156 0.000 2.159 350 M HA -0.209 4.271 4.480 -0.001 0.000 0.263 350 M C 2.431 178.608 176.300 -0.205 0.000 1.063 350 M CA 1.478 56.653 55.300 -0.209 0.000 1.110 350 M CB -1.145 31.360 32.600 -0.158 0.000 1.374 350 M HN 0.343 nan 8.290 nan 0.000 0.411 351 R N -0.011 120.384 120.500 -0.175 0.000 2.062 351 R HA -0.107 4.232 4.340 -0.001 0.000 0.231 351 R C 2.113 178.314 176.300 -0.165 0.000 1.136 351 R CA 1.493 57.477 56.100 -0.192 0.000 0.948 351 R CB -0.163 29.972 30.300 -0.275 0.000 0.845 351 R HN 0.181 nan 8.270 nan 0.000 0.430 352 V N 1.720 121.538 119.914 -0.160 0.000 2.287 352 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 352 V C 2.431 178.366 176.094 -0.266 0.000 1.053 352 V CA 1.833 64.028 62.300 -0.175 0.000 1.027 352 V CB -0.471 31.243 31.823 -0.182 0.000 0.646 352 V HN 0.357 nan 8.190 nan 0.000 0.447 353 L N -0.710 120.292 121.223 -0.368 0.000 2.056 353 L HA -0.128 4.211 4.340 -0.001 0.000 0.207 353 L C 2.413 179.109 176.870 -0.290 0.000 1.078 353 L CA 1.151 55.714 54.840 -0.463 0.000 0.749 353 L CB -0.618 41.114 42.059 -0.545 0.000 0.901 353 L HN 0.216 nan 8.230 nan 0.000 0.433 354 V N -0.443 119.347 119.914 -0.207 0.000 2.300 354 V HA -0.190 3.930 4.120 -0.001 0.000 0.241 354 V C 1.987 178.035 176.094 -0.076 0.000 1.034 354 V CA 1.712 63.946 62.300 -0.110 0.000 1.021 354 V CB -0.344 31.449 31.823 -0.051 0.000 0.662 354 V HN 0.346 nan 8.190 nan 0.000 0.458 355 D N -0.253 120.097 120.400 -0.083 0.000 2.183 355 D HA -0.057 4.582 4.640 -0.001 0.000 0.203 355 D C 1.743 178.010 176.300 -0.055 0.000 0.969 355 D CA 1.051 55.015 54.000 -0.059 0.000 0.842 355 D CB 0.101 40.860 40.800 -0.068 0.000 0.957 355 D HN 0.239 nan 8.370 nan 0.000 0.484 356 L N 0.258 121.434 121.223 -0.079 0.000 2.467 356 L HA 0.125 4.465 4.340 -0.001 0.000 0.213 356 L C 1.715 178.552 176.870 -0.056 0.000 1.053 356 L CA 0.803 55.609 54.840 -0.057 0.000 0.847 356 L CB -0.141 41.886 42.059 -0.053 0.000 1.075 356 L HN -0.162 nan 8.230 nan 0.000 0.479 357 E N -0.042 120.092 120.200 -0.110 0.000 2.479 357 E HA 0.030 4.379 4.350 -0.001 0.000 0.193 357 E C 0.107 176.671 176.600 -0.060 0.000 1.049 357 E CA -0.138 56.206 56.400 -0.094 0.000 0.870 357 E CB 0.188 29.730 29.700 -0.265 0.000 0.944 357 E HN 0.030 nan 8.360 nan 0.000 0.492 358 R N 0.138 120.605 120.500 -0.055 0.000 3.516 358 R HA -0.160 4.180 4.340 -0.001 0.000 0.271 358 R C -0.332 175.956 176.300 -0.020 0.000 1.098 358 R CA 0.280 56.367 56.100 -0.022 0.000 0.732 358 R CB -2.518 27.785 30.300 0.006 0.000 1.152 358 R HN 0.184 nan 8.270 nan 0.000 0.455 359 L N 0.310 121.495 121.223 -0.064 0.000 2.439 359 L HA 0.247 4.586 4.340 -0.001 0.000 0.261 359 L C 0.941 177.810 176.870 -0.002 0.000 1.153 359 L CA -0.429 54.384 54.840 -0.046 0.000 0.808 359 L CB 0.460 42.446 42.059 -0.123 0.000 1.126 359 L HN 0.134 nan 8.230 nan 0.000 0.460 360 D N 0.099 120.522 120.400 0.038 0.000 2.382 360 D HA -0.101 4.538 4.640 -0.001 0.000 0.240 360 D C 0.427 176.813 176.300 0.144 0.000 1.146 360 D CA -0.062 53.997 54.000 0.098 0.000 0.897 360 D CB 1.061 41.924 40.800 0.105 0.000 1.197 360 D HN 0.589 nan 8.370 nan 0.000 0.432 361 W N 1.438 122.744 121.300 0.010 0.000 2.338 361 W HA -0.169 4.491 4.660 -0.001 0.000 0.304 361 W C 1.721 178.284 176.519 0.074 0.000 1.212 361 W CA 1.247 58.605 57.345 0.022 0.000 1.264 361 W CB 0.093 29.549 29.460 -0.006 0.000 1.142 361 W HN 0.440 nan 8.180 nan 0.000 0.512 362 D N -0.342 120.293 120.400 0.391 0.000 2.178 362 D HA -0.181 4.459 4.640 -0.001 0.000 0.202 362 D C 1.816 178.228 176.300 0.188 0.000 0.974 362 D CA 1.424 55.619 54.000 0.325 0.000 0.841 362 D CB -0.208 40.743 40.800 0.251 0.000 0.953 362 D HN 0.158 nan 8.370 nan 0.000 0.478 363 K N 1.554 122.018 120.400 0.107 0.000 2.007 363 K HA -0.019 4.301 4.320 -0.001 0.000 0.206 363 K C 2.014 178.602 176.600 -0.020 0.000 1.047 363 K CA 1.375 57.692 56.287 0.050 0.000 0.937 363 K CB -0.405 32.119 32.500 0.040 0.000 0.718 363 K HN -0.049 nan 8.250 nan 0.000 0.438 364 A N 0.803 123.566 122.820 -0.094 0.000 1.917 364 A HA -0.215 4.105 4.320 -0.001 0.000 0.219 364 A C 2.227 179.693 177.584 -0.196 0.000 1.182 364 A CA 1.627 53.537 52.037 -0.211 0.000 0.633 364 A CB -1.268 17.554 19.000 -0.296 0.000 0.819 364 A HN 0.733 nan 8.150 nan 0.000 0.448 365 W N 0.668 121.720 121.300 -0.415 0.000 2.388 365 W HA -0.152 4.508 4.660 -0.001 0.000 0.294 365 W C 2.054 178.476 176.519 -0.162 0.000 1.212 365 W CA 1.734 58.845 57.345 -0.391 0.000 1.271 365 W CB -0.052 29.157 29.460 -0.418 0.000 1.126 365 W HN 0.630 nan 8.180 nan 0.000 0.535 366 E N 0.316 120.484 120.200 -0.053 0.000 2.051 366 E HA -0.217 4.133 4.350 -0.001 0.000 0.192 366 E C 1.986 178.497 176.600 -0.148 0.000 0.991 366 E CA 1.949 58.296 56.400 -0.089 0.000 0.799 366 E CB -0.417 29.290 29.700 0.012 0.000 0.748 366 E HN 0.085 nan 8.360 nan 0.000 0.449 367 V N 1.023 120.865 119.914 -0.120 0.000 2.295 367 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 367 V C 2.504 178.517 176.094 -0.135 0.000 1.049 367 V CA 2.220 64.467 62.300 -0.088 0.000 1.024 367 V CB -0.869 30.897 31.823 -0.095 0.000 0.648 367 V HN 0.364 nan 8.190 nan 0.000 0.447 368 T N 0.482 114.881 114.554 -0.259 0.000 2.674 368 T HA -0.182 4.167 4.350 -0.001 0.000 0.265 368 T C 1.954 176.459 174.700 -0.326 0.000 1.039 368 T CA 1.997 63.918 62.100 -0.298 0.000 1.150 368 T CB -0.333 68.277 68.868 -0.430 0.000 0.864 368 T HN 0.498 nan 8.240 nan 0.000 0.427 369 V N 0.337 119.946 119.914 -0.509 0.000 2.667 369 V HA 0.042 4.162 4.120 -0.001 0.000 0.252 369 V C 1.980 178.009 176.094 -0.108 0.000 1.065 369 V CA 1.361 63.434 62.300 -0.378 0.000 1.083 369 V CB -0.634 30.877 31.823 -0.520 0.000 0.692 369 V HN 0.361 nan 8.190 nan 0.000 0.468 370 K N 0.391 120.701 120.400 -0.150 0.000 2.283 370 K HA -0.036 4.284 4.320 -0.001 0.000 0.202 370 K C 2.101 178.624 176.600 -0.128 0.000 1.048 370 K CA 1.723 57.878 56.287 -0.220 0.000 0.948 370 K CB -0.258 32.132 32.500 -0.183 0.000 0.742 370 K HN 0.593 nan 8.250 nan 0.000 0.458 371 T N 0.288 114.839 114.554 -0.005 0.000 2.894 371 T HA 0.005 4.355 4.350 -0.001 0.000 0.258 371 T C 1.010 175.811 174.700 0.169 0.000 1.043 371 T CA 0.455 62.598 62.100 0.071 0.000 1.141 371 T CB 0.071 69.001 68.868 0.103 0.000 0.873 371 T HN 0.163 nan 8.240 nan 0.000 0.449 372 C N 2.236 121.616 119.300 0.135 0.000 2.365 372 C HA 0.882 5.342 4.460 -0.001 0.000 0.351 372 C C 0.597 175.666 174.990 0.133 0.000 1.240 372 C CA -1.262 57.825 59.018 0.116 0.000 2.062 372 C CB 0.163 27.914 27.740 0.018 0.000 2.387 372 C HN 0.611 nan 8.230 nan 0.000 0.537 373 A N 1.848 124.739 122.820 0.119 0.000 2.475 373 A HA 0.765 5.084 4.320 -0.001 0.000 0.301 373 A C -1.680 175.985 177.584 0.135 0.000 1.059 373 A CA -0.352 51.696 52.037 0.017 0.000 0.710 373 A CB 1.120 20.107 19.000 -0.022 0.000 1.288 373 A HN 0.843 nan 8.150 nan 0.000 0.408 374 Y N 0.840 121.097 120.300 -0.071 0.000 2.376 374 Y HA 0.674 5.224 4.550 -0.001 0.000 0.340 374 Y C -0.465 175.436 175.900 0.002 0.000 0.965 374 Y CA -0.694 57.385 58.100 -0.035 0.000 1.078 374 Y CB 2.074 40.467 38.460 -0.113 0.000 1.193 374 Y HN 0.564 nan 8.280 nan 0.000 0.452 375 T N 6.934 121.241 114.554 -0.411 0.000 2.770 375 T HA 0.234 4.584 4.350 -0.001 0.000 0.283 375 T C -0.717 173.646 174.700 -0.562 0.000 0.988 375 T CA -0.840 61.022 62.100 -0.397 0.000 0.957 375 T CB 0.320 69.165 68.868 -0.040 0.000 0.930 375 T HN 0.659 nan 8.240 nan 0.000 0.443 376 N N 2.011 120.393 118.700 -0.529 0.000 2.479 376 N HA 0.145 4.884 4.740 -0.001 0.000 0.285 376 N C 0.072 175.591 175.510 0.016 0.000 1.075 376 N CA -0.282 52.676 53.050 -0.153 0.000 0.967 376 N CB 0.780 39.298 38.487 0.053 0.000 1.137 376 N HN 0.703 nan 8.380 nan 0.000 0.472 377 H N 1.448 120.536 119.070 0.030 0.000 2.893 377 H HA 0.217 4.773 4.556 -0.001 0.000 0.270 377 H C -0.295 174.900 175.328 -0.222 0.000 1.095 377 H CA 0.031 56.037 56.048 -0.070 0.000 1.186 377 H CB 1.214 30.949 29.762 -0.046 0.000 1.562 377 H HN 0.469 nan 8.280 nan 0.000 0.536 378 T N 1.065 115.598 114.554 -0.036 0.000 2.957 378 T HA 0.186 4.535 4.350 -0.001 0.000 0.336 378 T C 0.162 174.864 174.700 0.003 0.000 1.462 378 T CA -0.665 61.365 62.100 -0.116 0.000 1.073 378 T CB 2.517 71.322 68.868 -0.106 0.000 1.319 378 T HN 0.088 nan 8.240 nan 0.000 0.485 379 V N 0.847 120.733 119.914 -0.047 0.000 3.766 379 V HA 0.628 4.748 4.120 -0.001 0.000 0.286 379 V C 0.540 176.585 176.094 -0.082 0.000 1.055 379 V CA -0.741 61.538 62.300 -0.036 0.000 1.060 379 V CB -0.528 31.252 31.823 -0.072 0.000 1.210 379 V HN 1.051 nan 8.190 nan 0.000 0.457 380 I N -0.838 119.685 120.570 -0.078 0.000 7.699 380 I HA -0.132 4.038 4.170 -0.001 0.000 0.126 380 I C -1.857 174.220 176.117 -0.065 0.000 1.644 380 I CA 0.090 61.349 61.300 -0.068 0.000 2.307 380 I CB -0.495 37.475 38.000 -0.050 0.000 3.328 380 I HN 0.663 nan 8.210 nan 0.000 0.244 381 P HA -0.096 nan 4.420 nan 0.000 0.250 381 P C 0.330 177.606 177.300 -0.041 0.000 1.239 381 P CA 1.041 64.100 63.100 -0.067 0.000 0.756 381 P CB 0.235 31.903 31.700 -0.054 0.000 1.013 382 E N -1.426 118.750 120.200 -0.041 0.000 2.453 382 E HA 0.197 4.546 4.350 -0.001 0.000 0.211 382 E C 1.806 178.376 176.600 -0.049 0.000 0.897 382 E CA 0.236 56.611 56.400 -0.042 0.000 1.063 382 E CB -1.085 28.594 29.700 -0.036 0.000 1.080 382 E HN 0.006 nan 8.360 nan 0.000 0.512 383 A N 0.813 123.608 122.820 -0.042 0.000 2.225 383 A HA -0.004 4.316 4.320 -0.001 0.000 0.215 383 A C 0.397 177.962 177.584 -0.030 0.000 1.164 383 A CA 0.557 52.571 52.037 -0.037 0.000 0.710 383 A CB -0.589 18.387 19.000 -0.039 0.000 0.780 383 A HN 0.098 nan 8.150 nan 0.000 0.473 384 L N 0.372 121.577 121.223 -0.031 0.000 2.350 384 L HA 0.266 4.606 4.340 -0.001 0.000 0.275 384 L C 0.403 177.218 176.870 -0.092 0.000 1.099 384 L CA -0.209 54.622 54.840 -0.014 0.000 0.808 384 L CB 0.717 42.805 42.059 0.048 0.000 1.149 384 L HN 0.228 nan 8.230 nan 0.000 0.442 385 E N 2.792 122.918 120.200 -0.123 0.000 2.465 385 E HA 0.119 4.469 4.350 -0.001 0.000 0.260 385 E C -0.511 175.871 176.600 -0.363 0.000 0.980 385 E CA 0.341 56.551 56.400 -0.316 0.000 0.927 385 E CB 0.448 29.962 29.700 -0.311 0.000 0.934 385 E HN 0.336 nan 8.360 nan 0.000 0.459 386 R N 3.107 123.307 120.500 -0.500 0.000 2.480 386 R HA 0.322 4.662 4.340 -0.001 0.000 0.306 386 R C -1.299 174.713 176.300 -0.479 0.000 0.958 386 R CA -0.598 55.287 56.100 -0.358 0.000 0.861 386 R CB 1.234 31.410 30.300 -0.206 0.000 1.171 386 R HN 0.471 nan 8.270 nan 0.000 0.445 387 W N 4.360 125.641 121.300 -0.031 0.000 2.475 387 W HA 0.359 5.019 4.660 -0.000 0.000 0.317 387 W C -2.036 174.426 176.519 -0.094 0.000 1.046 387 W CA -2.440 54.870 57.345 -0.058 0.000 1.215 387 W CB 1.536 30.961 29.460 -0.059 0.000 1.335 387 W HN 0.304 nan 8.180 nan 0.000 0.471 388 P HA -0.165 nan 4.420 nan 0.000 0.261 388 P C 0.932 178.147 177.300 -0.142 0.000 1.165 388 P CA 0.507 63.539 63.100 -0.114 0.000 0.759 388 P CB 0.513 31.983 31.700 -0.383 0.000 0.772 389 V N 1.782 121.668 119.914 -0.047 0.000 2.720 389 V HA -0.264 3.855 4.120 -0.001 0.000 0.256 389 V C 1.769 177.841 176.094 -0.036 0.000 1.082 389 V CA 2.139 64.435 62.300 -0.007 0.000 1.101 389 V CB -1.972 29.917 31.823 0.109 0.000 0.693 389 V HN 0.653 nan 8.190 nan 0.000 0.479 390 H N -0.781 118.341 119.070 0.086 0.000 2.470 390 H HA 0.130 4.685 4.556 -0.001 0.000 0.289 390 H C 1.973 177.341 175.328 0.067 0.000 1.033 390 H CA 1.426 57.519 56.048 0.074 0.000 1.331 390 H CB -0.570 29.235 29.762 0.073 0.000 1.414 390 H HN 0.394 nan 8.280 nan 0.000 0.545 391 L N -0.363 120.679 121.223 -0.302 0.000 2.005 391 L HA -0.112 4.227 4.340 -0.001 0.000 0.207 391 L C 2.110 178.942 176.870 -0.063 0.000 1.072 391 L CA 0.874 55.674 54.840 -0.068 0.000 0.744 391 L CB -0.262 41.743 42.059 -0.091 0.000 0.895 391 L HN 0.283 nan 8.230 nan 0.000 0.433 392 L N 0.044 121.204 121.223 -0.105 0.000 2.042 392 L HA -0.280 4.059 4.340 -0.001 0.000 0.210 392 L C 2.439 179.253 176.870 -0.094 0.000 1.076 392 L CA 1.725 56.484 54.840 -0.134 0.000 0.749 392 L CB -0.522 41.462 42.059 -0.125 0.000 0.893 392 L HN 0.260 nan 8.230 nan 0.000 0.432 393 E N -1.575 118.604 120.200 -0.035 0.000 2.085 393 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 393 E C 1.881 178.519 176.600 0.062 0.000 0.994 393 E CA 1.786 58.194 56.400 0.014 0.000 0.801 393 E CB 0.066 29.810 29.700 0.073 0.000 0.743 393 E HN 0.514 nan 8.360 nan 0.000 0.453 394 T N 1.011 115.625 114.554 0.099 0.000 2.732 394 T HA -0.101 4.249 4.350 -0.001 0.000 0.261 394 T C 1.879 176.691 174.700 0.186 0.000 1.040 394 T CA 1.451 63.660 62.100 0.182 0.000 1.145 394 T CB -0.123 68.882 68.868 0.228 0.000 0.866 394 T HN 0.280 nan 8.240 nan 0.000 0.427 395 L N -1.808 119.421 121.223 0.009 0.000 2.513 395 L HA 0.450 4.790 4.340 -0.001 0.000 0.222 395 L C 0.374 177.229 176.870 -0.025 0.000 1.096 395 L CA 0.261 55.004 54.840 -0.162 0.000 0.857 395 L CB 0.080 41.865 42.059 -0.456 0.000 1.026 395 L HN 0.020 nan 8.230 nan 0.000 0.469 396 L N 2.091 123.241 121.223 -0.121 0.000 2.839 396 L HA 0.404 4.744 4.340 -0.001 0.000 0.259 396 L C -1.571 175.132 176.870 -0.279 0.000 1.369 396 L CA -1.783 52.891 54.840 -0.277 0.000 0.845 396 L CB 0.505 42.277 42.059 -0.478 0.000 1.181 396 L HN -0.095 nan 8.230 nan 0.000 0.529 397 P HA -0.212 nan 4.420 nan 0.000 0.218 397 P C 1.491 178.601 177.300 -0.316 0.000 1.148 397 P CA 1.085 64.071 63.100 -0.189 0.000 0.822 397 P CB 0.565 32.235 31.700 -0.049 0.000 0.784 398 R N -0.532 119.602 120.500 -0.610 0.000 2.119 398 R HA -0.074 4.265 4.340 -0.001 0.000 0.222 398 R C 2.539 178.543 176.300 -0.494 0.000 1.088 398 R CA 1.305 57.051 56.100 -0.590 0.000 0.984 398 R CB -1.087 28.679 30.300 -0.889 0.000 0.884 398 R HN 0.305 nan 8.270 nan 0.000 0.447 399 H N -0.382 118.389 119.070 -0.499 0.000 2.436 399 H HA -0.016 4.540 4.556 -0.001 0.000 0.294 399 H C 1.912 177.061 175.328 -0.298 0.000 1.048 399 H CA 1.299 57.132 56.048 -0.357 0.000 1.353 399 H CB 0.105 29.626 29.762 -0.402 0.000 1.414 399 H HN 0.191 nan 8.280 nan 0.000 0.536 400 L N 0.972 122.064 121.223 -0.219 0.000 2.131 400 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 400 L C 2.519 179.136 176.870 -0.421 0.000 1.092 400 L CA 1.101 55.704 54.840 -0.394 0.000 0.759 400 L CB -0.197 41.586 42.059 -0.458 0.000 0.903 400 L HN 0.335 nan 8.230 nan 0.000 0.435 401 Q N -0.162 119.518 119.800 -0.200 0.000 2.002 401 Q HA -0.253 4.087 4.340 -0.001 0.000 0.204 401 Q C 2.232 178.236 176.000 0.006 0.000 0.988 401 Q CA 1.873 57.653 55.803 -0.038 0.000 0.843 401 Q CB -0.154 28.585 28.738 0.001 0.000 0.908 401 Q HN 0.526 nan 8.270 nan 0.000 0.420 402 I N 0.404 120.960 120.570 -0.024 0.000 2.226 402 I HA -0.296 3.874 4.170 -0.001 0.000 0.245 402 I C 2.245 178.426 176.117 0.106 0.000 1.100 402 I CA 1.047 62.398 61.300 0.083 0.000 1.374 402 I CB -0.333 37.678 38.000 0.018 0.000 1.057 402 I HN 0.238 nan 8.210 nan 0.000 0.413 403 I N -0.170 120.411 120.570 0.019 0.000 2.163 403 I HA -0.342 3.828 4.170 -0.001 0.000 0.243 403 I C 2.539 178.737 176.117 0.136 0.000 1.085 403 I CA 1.609 62.934 61.300 0.042 0.000 1.347 403 I CB -0.476 37.488 38.000 -0.060 0.000 1.044 403 I HN 0.149 nan 8.210 nan 0.000 0.408 404 Y N 0.770 121.092 120.300 0.036 0.000 2.207 404 Y HA -0.281 4.269 4.550 -0.001 0.000 0.287 404 Y C 2.589 178.472 175.900 -0.029 0.000 1.156 404 Y CA 1.588 59.694 58.100 0.011 0.000 1.182 404 Y CB -0.839 37.618 38.460 -0.004 0.000 0.979 404 Y HN 0.264 nan 8.280 nan 0.000 0.521 405 E N 0.234 120.508 120.200 0.122 0.000 2.072 405 E HA -0.111 4.238 4.350 -0.001 0.000 0.190 405 E C 2.129 178.663 176.600 -0.110 0.000 0.982 405 E CA 1.036 57.384 56.400 -0.087 0.000 0.803 405 E CB -0.482 29.099 29.700 -0.199 0.000 0.755 405 E HN 0.431 nan 8.360 nan 0.000 0.453 406 I N 0.918 121.535 120.570 0.077 0.000 2.194 406 I HA -0.317 3.853 4.170 -0.001 0.000 0.246 406 I C 2.251 178.393 176.117 0.042 0.000 1.093 406 I CA 1.469 62.772 61.300 0.005 0.000 1.355 406 I CB -0.389 37.615 38.000 0.007 0.000 1.046 406 I HN 0.232 nan 8.210 nan 0.000 0.413 407 N N 0.535 119.308 118.700 0.120 0.000 2.106 407 N HA -0.241 4.499 4.740 -0.001 0.000 0.188 407 N C 1.891 177.465 175.510 0.106 0.000 1.029 407 N CA 1.353 54.517 53.050 0.190 0.000 0.848 407 N CB -0.165 38.452 38.487 0.215 0.000 1.007 407 N HN 0.273 nan 8.380 nan 0.000 0.423 408 Q N 0.253 120.059 119.800 0.009 0.000 2.045 408 Q HA -0.195 4.145 4.340 -0.001 0.000 0.206 408 Q C 1.982 177.933 176.000 -0.081 0.000 0.991 408 Q CA 1.609 57.373 55.803 -0.065 0.000 0.851 408 Q CB -0.066 28.595 28.738 -0.130 0.000 0.911 408 Q HN 0.393 nan 8.270 nan 0.000 0.418 409 R N -0.828 119.595 120.500 -0.128 0.000 2.115 409 R HA -0.104 4.235 4.340 -0.001 0.000 0.226 409 R C 2.183 178.493 176.300 0.016 0.000 1.100 409 R CA 1.110 57.133 56.100 -0.128 0.000 0.980 409 R CB -0.258 29.864 30.300 -0.296 0.000 0.875 409 R HN 0.289 nan 8.270 nan 0.000 0.445 410 F N 1.312 121.241 119.950 -0.035 0.000 2.128 410 F HA -0.057 4.470 4.527 -0.001 0.000 0.295 410 F C 1.759 177.588 175.800 0.049 0.000 1.100 410 F CA 1.199 59.234 58.000 0.060 0.000 1.260 410 F CB -0.296 38.776 39.000 0.121 0.000 1.009 410 F HN -0.125 nan 8.300 nan 0.000 0.476 411 L N 0.208 121.329 121.223 -0.170 0.000 2.191 411 L HA -0.231 4.108 4.340 -0.001 0.000 0.212 411 L C 1.834 178.597 176.870 -0.177 0.000 1.103 411 L CA 1.540 56.236 54.840 -0.239 0.000 0.769 411 L CB -0.897 41.108 42.059 -0.090 0.000 0.908 411 L HN 0.301 nan 8.230 nan 0.000 0.438 412 N N -0.330 118.299 118.700 -0.118 0.000 2.331 412 N HA -0.114 4.626 4.740 -0.001 0.000 0.180 412 N C 1.838 177.293 175.510 -0.092 0.000 1.019 412 N CA 0.432 53.426 53.050 -0.092 0.000 0.881 412 N CB 0.070 38.513 38.487 -0.074 0.000 0.972 412 N HN 0.308 nan 8.380 nan 0.000 0.435 413 R N 0.656 121.095 120.500 -0.102 0.000 2.081 413 R HA -0.053 4.286 4.340 -0.001 0.000 0.235 413 R C 2.142 178.375 176.300 -0.111 0.000 1.131 413 R CA 0.965 57.022 56.100 -0.070 0.000 0.960 413 R CB -0.483 29.810 30.300 -0.012 0.000 0.856 413 R HN 0.081 nan 8.270 nan 0.000 0.436 414 V N 1.178 120.958 119.914 -0.224 0.000 2.407 414 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 414 V C 2.469 178.547 176.094 -0.027 0.000 1.055 414 V CA 1.926 64.137 62.300 -0.148 0.000 1.049 414 V CB -0.702 30.902 31.823 -0.364 0.000 0.662 414 V HN 0.408 nan 8.190 nan 0.000 0.455 415 A N 0.026 122.802 122.820 -0.073 0.000 1.902 415 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 415 A C 2.437 179.992 177.584 -0.048 0.000 1.181 415 A CA 2.085 54.096 52.037 -0.044 0.000 0.623 415 A CB -0.742 18.222 19.000 -0.059 0.000 0.818 415 A HN 0.566 nan 8.150 nan 0.000 0.443 416 A N -0.169 122.612 122.820 -0.065 0.000 1.877 416 A HA 0.148 4.468 4.320 -0.001 0.000 0.216 416 A C 2.516 180.025 177.584 -0.124 0.000 1.186 416 A CA 2.227 54.219 52.037 -0.074 0.000 0.620 416 A CB -1.015 17.951 19.000 -0.056 0.000 0.822 416 A HN 1.035 nan 8.150 nan 0.000 0.443 417 A N -1.552 121.164 122.820 -0.173 0.000 1.872 417 A HA 0.251 4.570 4.320 -0.001 0.000 0.214 417 A C 0.629 177.787 177.584 -0.710 0.000 1.187 417 A CA 0.816 52.603 52.037 -0.417 0.000 0.614 417 A CB -0.298 18.432 19.000 -0.449 0.000 0.826 417 A HN 0.440 nan 8.150 nan 0.000 0.442 418 F N -0.088 119.820 119.950 -0.071 0.000 2.449 418 F HA 0.369 4.896 4.527 -0.001 0.000 0.329 418 F C -2.731 173.030 175.800 -0.064 0.000 1.245 418 F CA -2.841 55.119 58.000 -0.067 0.000 1.193 418 F CB 0.778 39.727 39.000 -0.084 0.000 1.425 418 F HN -0.040 nan 8.300 nan 0.000 0.544 419 P HA 0.158 nan 4.420 nan 0.000 0.264 419 P C 0.950 178.262 177.300 0.020 0.000 1.193 419 P CA 1.037 64.137 63.100 0.000 0.000 0.763 419 P CB 0.862 32.546 31.700 -0.027 0.000 0.810 420 G N 2.362 111.166 108.800 0.008 0.000 2.189 420 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.267 420 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.267 420 G C -0.091 174.815 174.900 0.009 0.000 0.975 420 G CA 0.277 45.379 45.100 0.003 0.000 0.644 420 G HN 0.702 nan 8.290 nan 0.000 0.537 421 D N 0.420 120.835 120.400 0.025 0.000 2.412 421 D HA 0.447 5.087 4.640 -0.001 0.000 0.224 421 D C 1.088 177.378 176.300 -0.017 0.000 1.093 421 D CA -0.533 53.470 54.000 0.005 0.000 0.850 421 D CB 2.012 42.820 40.800 0.013 0.000 1.046 421 D HN 0.019 nan 8.370 nan 0.000 0.507 422 V N 2.254 122.155 119.914 -0.021 0.000 2.548 422 V HA -0.201 3.918 4.120 -0.001 0.000 0.249 422 V C 2.044 178.115 176.094 -0.037 0.000 1.055 422 V CA 1.616 63.899 62.300 -0.028 0.000 1.065 422 V CB -0.332 31.478 31.823 -0.021 0.000 0.681 422 V HN 0.626 nan 8.190 nan 0.000 0.462 423 D N 0.709 121.085 120.400 -0.039 0.000 2.218 423 D HA -0.211 4.429 4.640 -0.001 0.000 0.204 423 D C 2.301 178.561 176.300 -0.066 0.000 0.976 423 D CA 1.375 55.350 54.000 -0.041 0.000 0.853 423 D CB -0.033 40.746 40.800 -0.035 0.000 0.939 423 D HN 0.585 nan 8.370 nan 0.000 0.481 424 R N 0.041 120.479 120.500 -0.103 0.000 2.119 424 R HA 0.016 4.355 4.340 -0.001 0.000 0.222 424 R C 2.472 178.680 176.300 -0.153 0.000 1.088 424 R CA 0.413 56.415 56.100 -0.164 0.000 0.984 424 R CB -0.642 29.501 30.300 -0.262 0.000 0.884 424 R HN 0.174 nan 8.270 nan 0.000 0.447 425 L N 1.281 122.437 121.223 -0.110 0.000 2.042 425 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 425 L C 2.570 179.408 176.870 -0.053 0.000 1.076 425 L CA 1.904 56.686 54.840 -0.096 0.000 0.749 425 L CB -0.351 41.667 42.059 -0.068 0.000 0.893 425 L HN 0.329 nan 8.230 nan 0.000 0.432 426 R N -0.370 120.114 120.500 -0.028 0.000 2.240 426 R HA -0.038 4.302 4.340 -0.001 0.000 0.203 426 R C 1.958 178.285 176.300 0.045 0.000 1.011 426 R CA 0.675 56.784 56.100 0.016 0.000 1.007 426 R CB -0.630 29.678 30.300 0.014 0.000 0.911 426 R HN 0.199 nan 8.270 nan 0.000 0.468 427 R N 0.121 120.626 120.500 0.010 0.000 2.119 427 R HA 0.203 4.542 4.340 -0.001 0.000 0.222 427 R C 1.990 178.334 176.300 0.074 0.000 1.088 427 R CA 1.438 57.570 56.100 0.054 0.000 0.984 427 R CB -0.164 30.131 30.300 -0.008 0.000 0.884 427 R HN 0.269 nan 8.270 nan 0.000 0.447 428 M N 0.132 119.678 119.600 -0.090 0.000 2.334 428 M HA 0.008 4.488 4.480 -0.001 0.000 0.266 428 M C 1.007 177.378 176.300 0.117 0.000 1.082 428 M CA 0.265 55.423 55.300 -0.235 0.000 1.141 428 M CB 0.029 32.393 32.600 -0.393 0.000 1.380 428 M HN -0.065 nan 8.290 nan 0.000 0.440 429 S N 1.425 117.240 115.700 0.192 0.000 2.817 429 S HA -0.094 4.376 4.470 -0.001 0.000 0.333 429 S C 1.184 176.061 174.600 0.461 0.000 1.227 429 S CA -0.107 58.268 58.200 0.291 0.000 1.027 429 S CB 0.302 63.618 63.200 0.194 0.000 0.732 429 S HN 0.316 nan 8.310 nan 0.000 0.499 430 L N 4.793 126.260 121.223 0.407 0.000 2.201 430 L HA 0.025 4.364 4.340 -0.001 0.000 0.212 430 L C 0.708 177.740 176.870 0.269 0.000 1.105 430 L CA 0.445 55.500 54.840 0.358 0.000 0.775 430 L CB -0.520 41.694 42.059 0.259 0.000 0.913 430 L HN 0.407 nan 8.230 nan 0.000 0.440 431 V N 1.581 121.643 119.914 0.248 0.000 2.353 431 V HA 0.103 4.222 4.120 -0.001 0.000 0.264 431 V C 0.224 176.412 176.094 0.156 0.000 1.049 431 V CA -0.334 62.090 62.300 0.206 0.000 0.896 431 V CB 0.692 32.640 31.823 0.208 0.000 1.025 431 V HN 0.226 nan 8.190 nan 0.000 0.475 432 E N 4.088 124.361 120.200 0.121 0.000 2.266 432 E HA 0.408 4.758 4.350 -0.001 0.000 0.277 432 E C -0.520 176.125 176.600 0.075 0.000 1.018 432 E CA -0.629 55.826 56.400 0.092 0.000 0.840 432 E CB 1.488 31.224 29.700 0.060 0.000 1.082 432 E HN 0.566 nan 8.360 nan 0.000 0.395 433 E N 0.875 121.112 120.200 0.062 0.000 2.232 433 E HA 0.664 5.014 4.350 -0.001 0.000 0.265 433 E C 0.244 176.869 176.600 0.043 0.000 1.001 433 E CA -0.644 55.787 56.400 0.052 0.000 0.870 433 E CB 1.960 31.685 29.700 0.041 0.000 1.175 433 E HN 0.738 nan 8.360 nan 0.000 0.407 434 G N -0.138 108.687 108.800 0.040 0.000 2.403 434 G HA2 0.280 4.240 3.960 -0.001 0.000 0.223 434 G HA3 0.280 4.240 3.960 -0.001 0.000 0.223 434 G C -1.442 173.481 174.900 0.038 0.000 1.287 434 G CA -0.250 44.870 45.100 0.034 0.000 0.982 434 G HN 0.518 nan 8.290 nan 0.000 0.471 435 A N -0.125 122.716 122.820 0.034 0.000 2.527 435 A HA 0.791 5.110 4.320 -0.001 0.000 0.313 435 A C 0.529 178.144 177.584 0.052 0.000 1.410 435 A CA 0.619 52.679 52.037 0.038 0.000 1.060 435 A CB -0.396 18.621 19.000 0.029 0.000 1.137 435 A HN 2.415 nan 8.150 nan 0.000 0.542 436 V N 1.915 121.870 119.914 0.069 0.000 3.183 436 V HA -0.139 3.981 4.120 -0.001 0.000 0.459 436 V C 0.136 176.282 176.094 0.086 0.000 0.682 436 V CA 0.435 62.796 62.300 0.101 0.000 1.997 436 V CB -0.568 31.327 31.823 0.119 0.000 2.466 436 V HN 1.136 nan 8.190 nan 0.000 0.495 437 K N 6.698 127.157 120.400 0.099 0.000 2.237 437 K HA 0.651 4.971 4.320 -0.001 0.000 0.270 437 K C 0.067 176.717 176.600 0.083 0.000 1.015 437 K CA -0.537 55.805 56.287 0.092 0.000 0.949 437 K CB 0.769 33.334 32.500 0.109 0.000 0.976 437 K HN 0.722 nan 8.250 nan 0.000 0.472 438 R N 2.480 123.025 120.500 0.076 0.000 2.836 438 R HA 0.469 4.808 4.340 -0.001 0.000 0.269 438 R C -0.854 175.494 176.300 0.080 0.000 1.010 438 R CA -0.989 55.146 56.100 0.059 0.000 0.930 438 R CB 1.270 31.580 30.300 0.017 0.000 1.218 438 R HN 0.446 nan 8.270 nan 0.000 0.473 439 I N 1.888 122.506 120.570 0.079 0.000 2.336 439 I HA 0.169 4.339 4.170 -0.001 0.000 0.292 439 I C -0.226 175.913 176.117 0.036 0.000 0.991 439 I CA -0.684 60.671 61.300 0.093 0.000 1.227 439 I CB 1.218 39.283 38.000 0.108 0.000 1.366 439 I HN 0.500 nan 8.210 nan 0.000 0.466 440 N N 7.076 125.784 118.700 0.014 0.000 2.402 440 N HA 0.106 4.846 4.740 -0.001 0.000 0.252 440 N C 0.770 176.253 175.510 -0.046 0.000 1.118 440 N CA -0.318 52.677 53.050 -0.092 0.000 0.945 440 N CB 1.025 39.350 38.487 -0.270 0.000 1.147 440 N HN 0.389 nan 8.380 nan 0.000 0.495 441 M N 2.394 121.965 119.600 -0.050 0.000 2.319 441 M HA -0.029 4.450 4.480 -0.001 0.000 0.265 441 M C 1.886 178.115 176.300 -0.119 0.000 1.068 441 M CA 0.602 55.890 55.300 -0.019 0.000 1.118 441 M CB -1.452 31.179 32.600 0.051 0.000 1.395 441 M HN 0.603 nan 8.290 nan 0.000 0.435 442 A N -0.538 122.208 122.820 -0.122 0.000 1.930 442 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 442 A C 1.982 179.390 177.584 -0.293 0.000 1.175 442 A CA 1.384 53.316 52.037 -0.175 0.000 0.627 442 A CB -1.047 18.035 19.000 0.136 0.000 0.815 442 A HN 0.575 nan 8.150 nan 0.000 0.443 443 H N -1.049 117.863 119.070 -0.264 0.000 2.326 443 H HA -0.035 4.521 4.556 -0.001 0.000 0.301 443 H C 2.143 177.267 175.328 -0.339 0.000 1.081 443 H CA 0.955 56.800 56.048 -0.339 0.000 1.334 443 H CB -0.085 29.717 29.762 0.066 0.000 1.385 443 H HN 0.361 nan 8.280 nan 0.000 0.504 444 L N 0.514 121.699 121.223 -0.063 0.000 2.021 444 L HA -0.279 4.061 4.340 -0.001 0.000 0.215 444 L C 2.347 179.100 176.870 -0.194 0.000 1.074 444 L CA 1.545 56.341 54.840 -0.074 0.000 0.760 444 L CB -0.497 41.552 42.059 -0.016 0.000 0.889 444 L HN 0.463 nan 8.230 nan 0.000 0.433 445 C N -0.098 118.983 119.300 -0.365 0.000 2.425 445 C HA -0.177 4.283 4.460 -0.001 0.000 0.277 445 C C 2.668 177.352 174.990 -0.511 0.000 1.280 445 C CA 0.708 59.387 59.018 -0.565 0.000 1.744 445 C CB -0.735 26.262 27.740 -1.237 0.000 1.989 445 C HN 0.514 nan 8.230 nan 0.000 0.491 446 I N 1.056 121.276 120.570 -0.583 0.000 2.233 446 I HA -0.119 4.051 4.170 -0.001 0.000 0.243 446 I C 2.775 178.684 176.117 -0.347 0.000 1.093 446 I CA 1.438 62.440 61.300 -0.498 0.000 1.380 446 I CB -0.680 36.833 38.000 -0.812 0.000 1.067 446 I HN 0.225 nan 8.210 nan 0.000 0.413 447 A N 0.841 123.399 122.820 -0.436 0.000 1.940 447 A HA -0.121 4.199 4.320 -0.001 0.000 0.219 447 A C 2.193 179.801 177.584 0.041 0.000 1.176 447 A CA 1.962 53.766 52.037 -0.387 0.000 0.631 447 A CB -1.167 17.441 19.000 -0.655 0.000 0.814 447 A HN 0.488 nan 8.150 nan 0.000 0.446 448 G N -1.199 107.592 108.800 -0.015 0.000 3.284 448 G HA2 0.411 4.371 3.960 -0.001 0.000 0.236 448 G HA3 0.411 4.371 3.960 -0.001 0.000 0.236 448 G C 0.125 174.859 174.900 -0.275 0.000 1.158 448 G CA 0.465 45.438 45.100 -0.212 0.000 0.774 448 G HN 0.350 nan 8.290 nan 0.000 0.545 449 S N -0.875 114.719 115.700 -0.176 0.000 2.532 449 S HA 0.370 4.840 4.470 -0.001 0.000 0.301 449 S C 0.549 175.106 174.600 -0.073 0.000 1.083 449 S CA -0.621 57.512 58.200 -0.111 0.000 1.025 449 S CB 1.390 64.540 63.200 -0.084 0.000 1.056 449 S HN 0.603 nan 8.310 nan 0.000 0.494 450 H N -0.408 118.621 119.070 -0.068 0.000 2.553 450 H HA 0.700 5.256 4.556 -0.001 0.000 0.265 450 H C 0.166 175.478 175.328 -0.026 0.000 0.964 450 H CA 0.303 56.334 56.048 -0.028 0.000 1.156 450 H CB 0.272 30.034 29.762 -0.000 0.000 1.411 450 H HN 0.524 nan 8.280 nan 0.000 0.558 451 A N 0.711 123.264 122.820 -0.444 0.000 2.520 451 A HA 0.599 4.918 4.320 -0.001 0.000 0.298 451 A C -1.489 175.879 177.584 -0.360 0.000 1.051 451 A CA -0.692 51.113 52.037 -0.388 0.000 0.690 451 A CB 1.753 20.480 19.000 -0.454 0.000 1.281 451 A HN 0.130 nan 8.150 nan 0.000 0.402 452 V N 3.457 123.098 119.914 -0.455 0.000 2.680 452 V HA 0.655 4.774 4.120 -0.001 0.000 0.309 452 V C -0.504 175.361 176.094 -0.382 0.000 1.052 452 V CA -0.706 61.318 62.300 -0.460 0.000 0.908 452 V CB 1.928 33.279 31.823 -0.788 0.000 1.001 452 V HN 1.057 nan 8.190 nan 0.000 0.431 453 N N 2.176 120.696 118.700 -0.299 0.000 2.329 453 N HA 0.589 5.328 4.740 -0.001 0.000 0.282 453 N C -0.492 174.920 175.510 -0.164 0.000 1.198 453 N CA -0.372 52.552 53.050 -0.210 0.000 0.790 453 N CB 2.713 41.055 38.487 -0.242 0.000 1.579 453 N HN 0.701 nan 8.380 nan 0.000 0.475 454 G N -0.759 107.983 108.800 -0.097 0.000 2.552 454 G HA2 0.477 4.437 3.960 -0.001 0.000 0.318 454 G HA3 0.477 4.437 3.960 -0.001 0.000 0.318 454 G C -0.425 174.522 174.900 0.078 0.000 1.240 454 G CA -0.548 44.550 45.100 -0.003 0.000 1.002 454 G HN 0.377 nan 8.290 nan 0.000 0.493 455 V N -0.324 119.748 119.914 0.262 0.000 3.253 455 V HA 0.627 4.747 4.120 -0.001 0.000 0.320 455 V C 0.438 176.599 176.094 0.112 0.000 1.442 455 V CA 0.826 63.193 62.300 0.111 0.000 1.097 455 V CB -0.257 31.567 31.823 0.000 0.000 1.008 455 V HN 1.249 nan 8.190 nan 0.000 0.463 456 A N -0.549 122.346 122.820 0.126 0.000 2.583 456 A HA 0.478 4.798 4.320 -0.001 0.000 0.298 456 A C 0.548 178.178 177.584 0.077 0.000 1.055 456 A CA -0.077 52.017 52.037 0.096 0.000 0.714 456 A CB 0.757 19.807 19.000 0.082 0.000 1.277 456 A HN 0.082 nan 8.150 nan 0.000 0.406 457 R N 1.080 121.606 120.500 0.043 0.000 2.113 457 R HA -0.239 4.101 4.340 -0.001 0.000 0.244 457 R C 1.790 178.092 176.300 0.003 0.000 1.142 457 R CA 2.739 58.847 56.100 0.013 0.000 0.953 457 R CB -0.576 29.728 30.300 0.006 0.000 0.860 457 R HN 0.955 nan 8.270 nan 0.000 0.438 458 I N -2.585 117.993 120.570 0.013 0.000 2.439 458 I HA -0.126 4.043 4.170 -0.001 0.000 0.251 458 I C 2.319 178.443 176.117 0.011 0.000 1.139 458 I CA 1.580 62.879 61.300 -0.002 0.000 1.438 458 I CB -0.669 37.328 38.000 -0.006 0.000 1.085 458 I HN 0.144 nan 8.210 nan 0.000 0.427 459 H N 1.815 120.861 119.070 -0.040 0.000 2.289 459 H HA -0.141 4.415 4.556 -0.001 0.000 0.296 459 H C 2.246 177.548 175.328 -0.043 0.000 1.091 459 H CA 2.294 58.313 56.048 -0.047 0.000 1.274 459 H CB -0.419 29.318 29.762 -0.041 0.000 1.364 459 H HN 0.349 nan 8.280 nan 0.000 0.490 460 S N 0.162 115.768 115.700 -0.156 0.000 2.368 460 S HA -0.127 4.343 4.470 -0.001 0.000 0.225 460 S C 1.973 176.484 174.600 -0.148 0.000 1.030 460 S CA 1.170 59.264 58.200 -0.177 0.000 0.999 460 S CB -0.088 63.071 63.200 -0.069 0.000 0.844 460 S HN 0.467 nan 8.310 nan 0.000 0.459 461 E N 1.444 121.572 120.200 -0.120 0.000 2.077 461 E HA -0.132 4.218 4.350 -0.001 0.000 0.193 461 E C 2.123 178.626 176.600 -0.160 0.000 0.989 461 E CA 1.057 57.374 56.400 -0.137 0.000 0.800 461 E CB -0.529 29.113 29.700 -0.096 0.000 0.746 461 E HN 0.767 nan 8.360 nan 0.000 0.452 462 I N -1.839 118.644 120.570 -0.146 0.000 2.546 462 I HA -0.143 4.027 4.170 -0.001 0.000 0.255 462 I C 2.181 178.185 176.117 -0.188 0.000 1.163 462 I CA 0.755 61.970 61.300 -0.142 0.000 1.457 462 I CB -0.265 37.676 38.000 -0.098 0.000 1.092 462 I HN -0.048 nan 8.210 nan 0.000 0.434 463 L N 1.201 122.283 121.223 -0.235 0.000 1.994 463 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 463 L C 2.740 179.545 176.870 -0.108 0.000 1.071 463 L CA 1.845 56.570 54.840 -0.193 0.000 0.745 463 L CB -0.611 41.398 42.059 -0.082 0.000 0.892 463 L HN 0.240 nan 8.230 nan 0.000 0.431 464 K N 0.181 120.448 120.400 -0.222 0.000 2.097 464 K HA -0.168 4.151 4.320 -0.001 0.000 0.206 464 K C 1.939 178.298 176.600 -0.402 0.000 1.049 464 K CA 1.307 57.281 56.287 -0.522 0.000 0.933 464 K CB -0.022 31.966 32.500 -0.855 0.000 0.717 464 K HN 0.302 nan 8.250 nan 0.000 0.442 465 K N -0.167 120.077 120.400 -0.261 0.000 2.379 465 K HA 0.020 4.339 4.320 -0.001 0.000 0.194 465 K C 1.518 178.056 176.600 -0.104 0.000 1.031 465 K CA 1.095 57.282 56.287 -0.166 0.000 1.037 465 K CB 0.670 33.088 32.500 -0.137 0.000 0.824 465 K HN 0.272 nan 8.250 nan 0.000 0.516 466 T N -1.884 112.610 114.554 -0.100 0.000 2.964 466 T HA 0.153 4.503 4.350 -0.001 0.000 0.161 466 T C 1.718 176.395 174.700 -0.039 0.000 0.859 466 T CA -0.414 61.645 62.100 -0.069 0.000 1.015 466 T CB -0.616 68.201 68.868 -0.084 0.000 2.138 466 T HN -0.109 nan 8.240 nan 0.000 0.367 467 I N 1.013 121.517 120.570 -0.111 0.000 2.147 467 I HA -0.172 3.998 4.170 -0.001 0.000 0.245 467 I C 1.396 177.600 176.117 0.146 0.000 1.059 467 I CA 1.928 63.132 61.300 -0.160 0.000 1.320 467 I CB -0.491 37.159 38.000 -0.584 0.000 1.021 467 I HN 0.270 nan 8.210 nan 0.000 0.415 468 F N 0.905 120.942 119.950 0.145 0.000 2.735 468 F HA 0.191 4.718 4.527 -0.001 0.000 0.304 468 F C 1.800 177.672 175.800 0.119 0.000 1.119 468 F CA -0.919 57.234 58.000 0.255 0.000 1.280 468 F CB -0.697 38.471 39.000 0.280 0.000 0.994 468 F HN 0.079 nan 8.300 nan 0.000 0.520 469 K N -0.343 120.167 120.400 0.185 0.000 2.211 469 K HA -0.129 4.191 4.320 -0.001 0.000 0.203 469 K C 0.900 177.528 176.600 0.046 0.000 1.050 469 K CA 1.706 58.031 56.287 0.062 0.000 0.945 469 K CB -0.127 32.375 32.500 0.002 0.000 0.732 469 K HN 0.031 nan 8.250 nan 0.000 0.451 470 D N 0.685 121.085 120.400 -0.000 0.000 2.117 470 D HA -0.111 4.529 4.640 -0.001 0.000 0.197 470 D C 1.781 177.963 176.300 -0.196 0.000 0.987 470 D CA 1.126 54.999 54.000 -0.212 0.000 0.829 470 D CB -0.226 40.338 40.800 -0.393 0.000 0.961 470 D HN 0.225 nan 8.370 nan 0.000 0.460 471 F N 0.082 120.055 119.950 0.039 0.000 2.146 471 F HA -0.159 4.368 4.527 -0.001 0.000 0.298 471 F C 2.372 178.166 175.800 -0.010 0.000 1.096 471 F CA 0.665 58.735 58.000 0.117 0.000 1.275 471 F CB -0.774 38.349 39.000 0.204 0.000 1.008 471 F HN -0.010 nan 8.300 nan 0.000 0.480 472 Y N 1.252 121.369 120.300 -0.305 0.000 2.181 472 Y HA -0.204 4.346 4.550 -0.001 0.000 0.288 472 Y C 2.139 177.938 175.900 -0.169 0.000 1.146 472 Y CA 1.822 59.548 58.100 -0.624 0.000 1.164 472 Y CB -0.561 37.482 38.460 -0.694 0.000 0.982 472 Y HN 0.128 nan 8.280 nan 0.000 0.515 473 E N 0.070 120.225 120.200 -0.076 0.000 2.204 473 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 473 E C 2.235 178.887 176.600 0.086 0.000 0.989 473 E CA 0.929 57.294 56.400 -0.057 0.000 0.824 473 E CB -0.186 29.499 29.700 -0.026 0.000 0.756 473 E HN 0.479 nan 8.360 nan 0.000 0.477 474 L N 0.639 121.938 121.223 0.128 0.000 2.056 474 L HA -0.086 4.254 4.340 -0.001 0.000 0.207 474 L C 0.273 177.230 176.870 0.144 0.000 1.078 474 L CA 1.440 56.435 54.840 0.257 0.000 0.749 474 L CB 0.210 42.423 42.059 0.257 0.000 0.901 474 L HN 0.056 nan 8.230 nan 0.000 0.433 475 E N -1.250 118.986 120.200 0.059 0.000 3.117 475 E HA 0.148 4.498 4.350 -0.001 0.000 0.262 475 E C -1.997 174.486 176.600 -0.195 0.000 1.202 475 E CA -1.312 55.022 56.400 -0.109 0.000 0.853 475 E CB 1.304 30.930 29.700 -0.124 0.000 1.426 475 E HN 0.134 nan 8.360 nan 0.000 0.387 476 P HA -0.245 nan 4.420 nan 0.000 0.215 476 P C 1.341 178.690 177.300 0.082 0.000 1.157 476 P CA 1.223 64.069 63.100 -0.423 0.000 0.863 476 P CB -0.059 31.372 31.700 -0.447 0.000 0.787 477 H N 0.273 119.405 119.070 0.104 0.000 2.437 477 H HA -0.153 4.403 4.556 -0.001 0.000 0.296 477 H C 1.533 176.948 175.328 0.145 0.000 1.121 477 H CA 1.376 57.499 56.048 0.125 0.000 1.255 477 H CB -0.863 28.949 29.762 0.084 0.000 1.366 477 H HN 0.151 nan 8.280 nan 0.000 0.512 478 K N 0.315 120.689 120.400 -0.044 0.000 2.148 478 K HA -0.024 4.296 4.320 -0.001 0.000 0.204 478 K C -0.044 176.413 176.600 -0.240 0.000 1.050 478 K CA 0.316 56.509 56.287 -0.156 0.000 0.942 478 K CB -0.005 32.291 32.500 -0.340 0.000 0.724 478 K HN 0.103 nan 8.250 nan 0.000 0.446 479 F N 1.777 121.764 119.950 0.063 0.000 2.424 479 F HA 0.167 4.693 4.527 -0.001 0.000 0.356 479 F C 0.649 176.483 175.800 0.056 0.000 1.110 479 F CA -0.020 58.038 58.000 0.098 0.000 1.161 479 F CB 0.856 40.011 39.000 0.258 0.000 1.115 479 F HN -0.074 nan 8.300 nan 0.000 0.507 480 Q N 1.731 121.542 119.800 0.019 0.000 2.633 480 Q HA 0.433 4.773 4.340 -0.001 0.000 0.292 480 Q C -0.981 174.982 176.000 -0.062 0.000 1.089 480 Q CA -1.279 54.504 55.803 -0.035 0.000 0.811 480 Q CB 2.948 31.605 28.738 -0.135 0.000 1.472 480 Q HN 0.598 nan 8.270 nan 0.000 0.464 481 N N 0.475 119.114 118.700 -0.101 0.000 2.310 481 N HA 0.238 4.977 4.740 -0.001 0.000 0.292 481 N C -1.673 173.731 175.510 -0.176 0.000 1.049 481 N CA -0.318 52.671 53.050 -0.102 0.000 0.849 481 N CB 1.189 39.645 38.487 -0.051 0.000 1.532 481 N HN 0.308 nan 8.380 nan 0.000 0.479 482 K N 2.838 123.126 120.400 -0.186 0.000 2.756 482 K HA 0.177 4.496 4.320 -0.001 0.000 0.218 482 K C -0.932 175.653 176.600 -0.025 0.000 1.057 482 K CA -0.478 55.663 56.287 -0.242 0.000 1.056 482 K CB 1.276 33.374 32.500 -0.669 0.000 1.235 482 K HN 0.532 nan 8.250 nan 0.000 0.547 483 T N 2.528 117.100 114.554 0.030 0.000 2.908 483 T HA 0.037 4.386 4.350 -0.001 0.000 0.301 483 T C 0.709 175.533 174.700 0.206 0.000 1.019 483 T CA 0.160 62.331 62.100 0.119 0.000 1.152 483 T CB 0.139 69.084 68.868 0.128 0.000 0.966 483 T HN 0.245 nan 8.240 nan 0.000 0.540 484 N N 1.419 120.267 118.700 0.248 0.000 2.344 484 N HA 0.325 5.064 4.740 -0.001 0.000 0.236 484 N C 0.562 176.272 175.510 0.333 0.000 1.279 484 N CA 0.294 53.540 53.050 0.327 0.000 0.882 484 N CB 0.486 39.104 38.487 0.218 0.000 1.110 484 N HN 0.834 nan 8.380 nan 0.000 0.436 485 G N -0.643 108.390 108.800 0.388 0.000 0.000 485 G HA2 0.732 4.692 3.960 -0.001 0.000 0.000 485 G HA3 0.732 4.692 3.960 -0.001 0.000 0.000 485 G C -1.262 173.811 174.900 0.288 0.000 0.000 485 G CA -0.257 45.039 45.100 0.326 0.000 0.000 485 G HN 0.411 nan 8.290 nan 0.000 0.000 486 I N -0.619 120.099 120.570 0.246 0.000 2.686 486 I HA 0.468 4.638 4.170 -0.001 0.000 0.295 486 I C 0.042 176.331 176.117 0.287 0.000 1.114 486 I CA -0.400 61.031 61.300 0.218 0.000 1.038 486 I CB 2.671 40.714 38.000 0.073 0.000 1.238 486 I HN 0.468 nan 8.210 nan 0.000 0.420 487 T N 7.280 122.056 114.554 0.370 0.000 2.780 487 T HA 0.374 4.724 4.350 -0.001 0.000 0.294 487 T C -1.768 173.049 174.700 0.194 0.000 0.949 487 T CA -1.632 60.595 62.100 0.212 0.000 1.074 487 T CB 0.960 69.900 68.868 0.119 0.000 0.910 487 T HN 0.424 nan 8.240 nan 0.000 0.501 488 P HA 0.068 nan 4.420 nan 0.000 0.242 488 P C 0.832 178.088 177.300 -0.075 0.000 1.197 488 P CA 0.220 63.354 63.100 0.057 0.000 0.765 488 P CB 0.424 32.150 31.700 0.043 0.000 0.936 489 R N 0.538 120.944 120.500 -0.156 0.000 2.040 489 R HA 0.112 4.451 4.340 -0.001 0.000 0.219 489 R C 2.681 178.850 176.300 -0.217 0.000 1.216 489 R CA 1.168 57.116 56.100 -0.253 0.000 0.952 489 R CB -1.254 28.888 30.300 -0.264 0.000 0.833 489 R HN -0.064 nan 8.270 nan 0.000 0.456 490 R N -0.534 119.783 120.500 -0.306 0.000 2.119 490 R HA -0.181 4.159 4.340 -0.001 0.000 0.246 490 R C 1.123 177.081 176.300 -0.570 0.000 1.146 490 R CA 2.075 57.843 56.100 -0.554 0.000 0.962 490 R CB -0.270 29.488 30.300 -0.902 0.000 0.863 490 R HN 0.357 nan 8.270 nan 0.000 0.442 491 W N -0.611 120.646 121.300 -0.072 0.000 3.353 491 W HA 0.239 4.898 4.660 -0.001 0.000 0.304 491 W C 1.392 177.886 176.519 -0.042 0.000 1.273 491 W CA -0.665 56.641 57.345 -0.065 0.000 1.773 491 W CB 0.462 29.893 29.460 -0.049 0.000 1.095 491 W HN 0.173 nan 8.180 nan 0.000 0.676 492 L N -2.105 119.190 121.223 0.119 0.000 2.865 492 L HA 0.016 4.356 4.340 -0.001 0.000 0.167 492 L C 1.902 178.795 176.870 0.038 0.000 1.135 492 L CA 0.286 55.188 54.840 0.104 0.000 0.895 492 L CB -0.671 41.477 42.059 0.148 0.000 1.643 492 L HN -0.327 nan 8.230 nan 0.000 0.518 493 V N 1.246 121.154 119.914 -0.011 0.000 2.287 493 V HA -0.327 3.793 4.120 -0.001 0.000 0.248 493 V C 2.305 178.368 176.094 -0.053 0.000 1.053 493 V CA 2.387 64.664 62.300 -0.039 0.000 1.027 493 V CB -0.440 31.308 31.823 -0.126 0.000 0.646 493 V HN 0.406 nan 8.190 nan 0.000 0.447 494 L N 0.329 121.491 121.223 -0.102 0.000 2.023 494 L HA -0.159 4.181 4.340 -0.001 0.000 0.205 494 L C 2.574 179.378 176.870 -0.110 0.000 1.073 494 L CA 2.317 57.081 54.840 -0.126 0.000 0.745 494 L CB -0.326 41.606 42.059 -0.211 0.000 0.900 494 L HN 0.640 nan 8.230 nan 0.000 0.435 495 C N -1.859 117.375 119.300 -0.110 0.000 2.464 495 C HA 0.127 4.587 4.460 -0.001 0.000 0.278 495 C C 1.403 176.381 174.990 -0.020 0.000 1.375 495 C CA -0.112 58.863 59.018 -0.071 0.000 1.761 495 C CB -1.057 26.664 27.740 -0.032 0.000 1.944 495 C HN 0.584 nan 8.230 nan 0.000 0.509 496 N N 1.498 120.199 118.700 0.002 0.000 2.757 496 N HA 0.267 5.007 4.740 -0.001 0.000 0.296 496 N C -1.441 174.081 175.510 0.021 0.000 1.874 496 N CA -1.781 51.280 53.050 0.017 0.000 0.885 496 N CB 0.578 39.086 38.487 0.036 0.000 1.242 496 N HN 0.330 nan 8.380 nan 0.000 0.488 497 P HA -0.109 nan 4.420 nan 0.000 0.215 497 P C 1.411 178.724 177.300 0.022 0.000 1.153 497 P CA 1.121 64.229 63.100 0.014 0.000 0.853 497 P CB 0.213 31.913 31.700 -0.001 0.000 0.788 498 G N 0.733 109.540 108.800 0.012 0.000 2.476 498 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.218 498 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.218 498 G C 1.583 176.486 174.900 0.006 0.000 1.164 498 G CA 0.920 46.024 45.100 0.006 0.000 0.768 498 G HN 0.272 nan 8.290 nan 0.000 0.560 499 L N 1.275 122.501 121.223 0.007 0.000 2.093 499 L HA 0.261 4.601 4.340 -0.001 0.000 0.208 499 L C 3.028 179.919 176.870 0.036 0.000 1.085 499 L CA 2.004 56.843 54.840 -0.002 0.000 0.755 499 L CB -0.735 41.325 42.059 0.001 0.000 0.904 499 L HN 0.236 nan 8.230 nan 0.000 0.435 500 A N -1.009 121.860 122.820 0.081 0.000 1.972 500 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 500 A C 2.306 179.982 177.584 0.153 0.000 1.169 500 A CA 1.702 53.844 52.037 0.176 0.000 0.635 500 A CB -0.609 18.498 19.000 0.178 0.000 0.810 500 A HN 0.603 nan 8.150 nan 0.000 0.446 501 E N 0.150 120.402 120.200 0.088 0.000 2.028 501 E HA -0.178 4.171 4.350 -0.001 0.000 0.191 501 E C 1.916 178.551 176.600 0.059 0.000 0.988 501 E CA 1.551 57.992 56.400 0.069 0.000 0.799 501 E CB -0.285 29.440 29.700 0.041 0.000 0.755 501 E HN 0.781 nan 8.360 nan 0.000 0.447 502 I N -1.284 119.315 120.570 0.048 0.000 2.916 502 I HA -0.130 4.040 4.170 -0.001 0.000 0.267 502 I C 1.947 178.162 176.117 0.162 0.000 1.263 502 I CA 0.814 62.166 61.300 0.086 0.000 1.471 502 I CB -0.195 37.836 38.000 0.052 0.000 1.089 502 I HN 0.074 nan 8.210 nan 0.000 0.468 503 I N 1.630 122.247 120.570 0.077 0.000 2.339 503 I HA -0.062 4.108 4.170 -0.001 0.000 0.245 503 I C 2.919 178.977 176.117 -0.097 0.000 1.096 503 I CA 1.052 62.318 61.300 -0.056 0.000 1.408 503 I CB -0.389 37.441 38.000 -0.282 0.000 1.092 503 I HN 0.274 nan 8.210 nan 0.000 0.423 504 A N 0.597 123.446 122.820 0.048 0.000 1.969 504 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 504 A C 2.132 179.739 177.584 0.039 0.000 1.169 504 A CA 1.392 53.506 52.037 0.128 0.000 0.635 504 A CB -0.514 18.601 19.000 0.193 0.000 0.810 504 A HN 0.422 nan 8.150 nan 0.000 0.445 505 E N -0.549 119.657 120.200 0.011 0.000 2.077 505 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 505 E C 2.275 178.833 176.600 -0.069 0.000 0.989 505 E CA 1.062 57.455 56.400 -0.012 0.000 0.800 505 E CB -0.100 29.600 29.700 0.001 0.000 0.746 505 E HN 0.384 nan 8.360 nan 0.000 0.452 506 R N 0.361 120.756 120.500 -0.175 0.000 2.055 506 R HA -0.002 4.337 4.340 -0.001 0.000 0.226 506 R C 2.407 178.587 176.300 -0.199 0.000 1.135 506 R CA 1.132 57.029 56.100 -0.338 0.000 0.959 506 R CB -0.480 29.285 30.300 -0.891 0.000 0.854 506 R HN 0.366 nan 8.270 nan 0.000 0.431 507 I N -3.675 116.798 120.570 -0.162 0.000 4.154 507 I HA 0.459 4.629 4.170 -0.001 0.000 0.334 507 I C 0.395 176.528 176.117 0.025 0.000 1.371 507 I CA 0.125 61.389 61.300 -0.060 0.000 1.110 507 I CB 0.840 38.789 38.000 -0.085 0.000 1.085 507 I HN 0.165 nan 8.210 nan 0.000 0.398 508 G N 1.812 110.643 108.800 0.052 0.000 2.603 508 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.686 508 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.686 508 G C -0.260 174.759 174.900 0.199 0.000 1.286 508 G CA -0.149 45.010 45.100 0.098 0.000 0.871 508 G HN 0.348 nan 8.290 nan 0.000 0.568 509 E N -0.598 119.687 120.200 0.143 0.000 2.474 509 E HA 0.094 4.444 4.350 -0.001 0.000 0.195 509 E C 1.754 178.342 176.600 -0.019 0.000 1.039 509 E CA 0.326 56.783 56.400 0.094 0.000 0.881 509 E CB 0.349 30.077 29.700 0.048 0.000 0.970 509 E HN 0.577 nan 8.360 nan 0.000 0.486 510 E N 0.199 120.433 120.200 0.057 0.000 2.418 510 E HA -0.162 4.188 4.350 -0.001 0.000 0.197 510 E C 1.408 178.010 176.600 0.003 0.000 1.026 510 E CA 0.460 56.874 56.400 0.024 0.000 0.862 510 E CB 0.073 29.805 29.700 0.053 0.000 0.799 510 E HN 0.439 nan 8.360 nan 0.000 0.518 511 Y N -1.161 119.142 120.300 0.006 0.000 2.352 511 Y HA -0.029 4.521 4.550 -0.001 0.000 0.292 511 Y C 1.676 177.560 175.900 -0.025 0.000 1.136 511 Y CA 0.564 58.662 58.100 -0.004 0.000 1.227 511 Y CB -0.517 37.942 38.460 -0.000 0.000 0.991 511 Y HN -0.026 nan 8.280 nan 0.000 0.545 512 I N 0.991 121.069 120.570 -0.819 0.000 2.657 512 I HA -0.229 3.940 4.170 -0.001 0.000 0.261 512 I C 1.156 177.046 176.117 -0.379 0.000 1.212 512 I CA 1.806 62.677 61.300 -0.715 0.000 1.453 512 I CB -0.333 37.189 38.000 -0.797 0.000 1.092 512 I HN 0.512 nan 8.210 nan 0.000 0.452 513 S N -2.401 113.184 115.700 -0.192 0.000 3.031 513 S HA 0.200 4.670 4.470 -0.001 0.000 0.253 513 S C -0.105 174.480 174.600 -0.024 0.000 0.996 513 S CA -0.616 57.534 58.200 -0.083 0.000 1.098 513 S CB 0.362 63.559 63.200 -0.006 0.000 1.042 513 S HN 0.247 nan 8.310 nan 0.000 0.593 514 D N 0.856 121.250 120.400 -0.010 0.000 2.668 514 D HA 0.304 4.944 4.640 -0.001 0.000 0.247 514 D C 0.308 176.645 176.300 0.062 0.000 1.268 514 D CA -0.422 53.592 54.000 0.023 0.000 0.842 514 D CB 0.684 41.501 40.800 0.029 0.000 1.399 514 D HN 0.092 nan 8.370 nan 0.000 0.530 515 L N 1.677 122.937 121.223 0.060 0.000 2.291 515 L HA 0.055 4.395 4.340 -0.001 0.000 0.214 515 L C 1.458 178.378 176.870 0.083 0.000 1.120 515 L CA 1.373 56.281 54.840 0.112 0.000 0.799 515 L CB -0.025 42.094 42.059 0.099 0.000 0.925 515 L HN 0.325 nan 8.230 nan 0.000 0.446 516 D N -0.592 119.829 120.400 0.035 0.000 2.271 516 D HA -0.237 4.402 4.640 -0.001 0.000 0.207 516 D C 1.862 178.181 176.300 0.033 0.000 0.983 516 D CA 0.891 54.898 54.000 0.013 0.000 0.878 516 D CB 0.071 40.865 40.800 -0.009 0.000 0.920 516 D HN 0.561 nan 8.370 nan 0.000 0.479 517 Q N -0.007 119.830 119.800 0.062 0.000 2.291 517 Q HA -0.052 4.288 4.340 -0.001 0.000 0.206 517 Q C 2.310 178.336 176.000 0.043 0.000 0.976 517 Q CA 0.228 56.070 55.803 0.065 0.000 0.875 517 Q CB 0.013 28.815 28.738 0.108 0.000 0.927 517 Q HN 0.396 nan 8.270 nan 0.000 0.450 518 L N 0.078 121.326 121.223 0.042 0.000 2.349 518 L HA -0.207 4.133 4.340 -0.001 0.000 0.220 518 L C 2.291 179.165 176.870 0.007 0.000 1.130 518 L CA 0.851 55.683 54.840 -0.013 0.000 0.791 518 L CB -0.338 41.730 42.059 0.016 0.000 0.918 518 L HN 0.210 nan 8.230 nan 0.000 0.444 519 R N 0.404 120.915 120.500 0.019 0.000 2.159 519 R HA -0.179 4.160 4.340 -0.001 0.000 0.237 519 R C 2.170 178.482 176.300 0.020 0.000 1.131 519 R CA 1.213 57.325 56.100 0.019 0.000 0.982 519 R CB 0.010 30.316 30.300 0.011 0.000 0.868 519 R HN 0.330 nan 8.270 nan 0.000 0.453 520 K N -0.124 120.287 120.400 0.019 0.000 2.209 520 K HA -0.141 4.179 4.320 -0.001 0.000 0.204 520 K C 1.618 178.269 176.600 0.085 0.000 1.048 520 K CA 0.708 57.017 56.287 0.036 0.000 0.940 520 K CB -0.058 32.461 32.500 0.032 0.000 0.729 520 K HN 0.059 nan 8.250 nan 0.000 0.451 521 L N 0.838 122.087 121.223 0.044 0.000 2.261 521 L HA -0.160 4.180 4.340 -0.001 0.000 0.216 521 L C 1.794 178.753 176.870 0.149 0.000 1.114 521 L CA 1.295 56.172 54.840 0.062 0.000 0.777 521 L CB -0.556 41.516 42.059 0.022 0.000 0.910 521 L HN 0.143 nan 8.230 nan 0.000 0.440 522 L N -1.145 120.123 121.223 0.075 0.000 2.191 522 L HA -0.129 4.210 4.340 -0.001 0.000 0.212 522 L C 2.422 179.278 176.870 -0.023 0.000 1.103 522 L CA 1.226 56.090 54.840 0.040 0.000 0.769 522 L CB -1.256 40.812 42.059 0.016 0.000 0.908 522 L HN 0.215 nan 8.230 nan 0.000 0.438 523 S N -1.544 114.096 115.700 -0.100 0.000 2.537 523 S HA -0.129 4.341 4.470 -0.001 0.000 0.240 523 S C 1.062 175.326 174.600 -0.561 0.000 0.981 523 S CA 0.712 58.716 58.200 -0.326 0.000 0.948 523 S CB -0.325 62.618 63.200 -0.428 0.000 0.759 523 S HN 0.473 nan 8.310 nan 0.000 0.531 524 Y N -0.750 119.484 120.300 -0.110 0.000 2.531 524 Y HA 0.318 4.867 4.550 -0.001 0.000 0.249 524 Y C 1.669 177.598 175.900 0.049 0.000 1.168 524 Y CA -0.524 57.519 58.100 -0.095 0.000 1.226 524 Y CB -0.122 38.118 38.460 -0.366 0.000 1.177 524 Y HN -0.001 nan 8.280 nan 0.000 0.527 525 V N 0.082 120.066 119.914 0.117 0.000 2.568 525 V HA -0.254 3.865 4.120 -0.001 0.000 0.253 525 V C 1.176 177.328 176.094 0.096 0.000 1.072 525 V CA 2.087 64.460 62.300 0.121 0.000 1.084 525 V CB -0.127 31.731 31.823 0.058 0.000 0.676 525 V HN 0.411 nan 8.190 nan 0.000 0.469 526 D N -0.922 119.512 120.400 0.056 0.000 2.440 526 D HA 0.078 4.717 4.640 -0.001 0.000 0.216 526 D C 0.391 176.721 176.300 0.051 0.000 1.150 526 D CA 0.038 54.061 54.000 0.039 0.000 0.832 526 D CB 0.286 41.087 40.800 0.001 0.000 0.992 526 D HN 0.378 nan 8.370 nan 0.000 0.502 527 D N 1.785 122.246 120.400 0.101 0.000 2.365 527 D HA -0.009 4.630 4.640 -0.001 0.000 0.237 527 D C 1.222 177.611 176.300 0.149 0.000 1.190 527 D CA -0.116 53.958 54.000 0.124 0.000 0.867 527 D CB 1.205 42.134 40.800 0.215 0.000 1.050 527 D HN -0.168 nan 8.370 nan 0.000 0.491 528 E N 2.829 123.088 120.200 0.099 0.000 2.171 528 E HA -0.203 4.146 4.350 -0.001 0.000 0.197 528 E C 1.573 178.234 176.600 0.101 0.000 0.997 528 E CA 0.861 57.312 56.400 0.086 0.000 0.810 528 E CB 0.020 29.753 29.700 0.055 0.000 0.738 528 E HN 0.663 nan 8.360 nan 0.000 0.467 529 A N 0.482 123.377 122.820 0.126 0.000 1.873 529 A HA -0.154 4.165 4.320 -0.001 0.000 0.215 529 A C 2.076 179.774 177.584 0.190 0.000 1.186 529 A CA 1.035 53.150 52.037 0.130 0.000 0.616 529 A CB -0.775 18.301 19.000 0.127 0.000 0.823 529 A HN 0.240 nan 8.150 nan 0.000 0.442 530 F N 0.799 120.785 119.950 0.059 0.000 2.069 530 F HA -0.185 4.342 4.527 -0.001 0.000 0.298 530 F C 2.091 177.908 175.800 0.028 0.000 1.113 530 F CA 1.303 59.319 58.000 0.027 0.000 1.214 530 F CB -0.478 38.562 39.000 0.068 0.000 0.978 530 F HN 0.181 nan 8.300 nan 0.000 0.474 531 I N 0.766 121.429 120.570 0.156 0.000 2.087 531 I HA -0.425 3.744 4.170 -0.001 0.000 0.240 531 I C 2.579 178.678 176.117 -0.030 0.000 1.054 531 I CA 2.290 63.615 61.300 0.041 0.000 1.311 531 I CB -0.612 37.440 38.000 0.086 0.000 1.024 531 I HN 0.189 nan 8.210 nan 0.000 0.402 532 R N 0.311 120.810 120.500 -0.002 0.000 2.280 532 R HA -0.101 4.239 4.340 -0.001 0.000 0.207 532 R C 1.193 177.457 176.300 -0.059 0.000 1.043 532 R CA 1.270 57.356 56.100 -0.023 0.000 1.006 532 R CB -0.423 29.876 30.300 -0.001 0.000 0.885 532 R HN 0.350 nan 8.270 nan 0.000 0.467 533 D N 1.036 121.373 120.400 -0.104 0.000 2.149 533 D HA -0.033 4.607 4.640 -0.001 0.000 0.206 533 D C 2.089 178.263 176.300 -0.211 0.000 0.967 533 D CA 0.842 54.757 54.000 -0.141 0.000 0.848 533 D CB -0.062 40.657 40.800 -0.134 0.000 0.998 533 D HN 0.005 nan 8.370 nan 0.000 0.474 534 V N 1.617 121.313 119.914 -0.364 0.000 2.282 534 V HA -0.293 3.826 4.120 -0.001 0.000 0.249 534 V C 2.491 178.497 176.094 -0.147 0.000 1.057 534 V CA 2.096 64.188 62.300 -0.347 0.000 1.032 534 V CB -0.775 30.780 31.823 -0.448 0.000 0.645 534 V HN 0.199 nan 8.190 nan 0.000 0.447 535 A N -0.431 122.326 122.820 -0.104 0.000 1.930 535 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 535 A C 2.217 179.770 177.584 -0.051 0.000 1.175 535 A CA 2.099 54.110 52.037 -0.044 0.000 0.627 535 A CB -0.405 18.576 19.000 -0.031 0.000 0.815 535 A HN 0.492 nan 8.150 nan 0.000 0.443 536 K N -0.215 120.149 120.400 -0.060 0.000 2.062 536 K HA 0.011 4.330 4.320 -0.001 0.000 0.205 536 K C 1.680 178.254 176.600 -0.042 0.000 1.051 536 K CA 1.472 57.731 56.287 -0.047 0.000 0.941 536 K CB -0.571 31.905 32.500 -0.039 0.000 0.719 536 K HN 0.140 nan 8.250 nan 0.000 0.440 537 V N 1.387 121.270 119.914 -0.052 0.000 2.252 537 V HA -0.301 3.819 4.120 -0.001 0.000 0.249 537 V C 2.337 178.414 176.094 -0.029 0.000 1.056 537 V CA 2.283 64.559 62.300 -0.040 0.000 1.022 537 V CB -0.594 31.197 31.823 -0.053 0.000 0.641 537 V HN 0.359 nan 8.190 nan 0.000 0.445 538 K N 0.235 120.617 120.400 -0.031 0.000 2.063 538 K HA -0.247 4.073 4.320 -0.001 0.000 0.208 538 K C 2.284 178.849 176.600 -0.060 0.000 1.048 538 K CA 2.037 58.307 56.287 -0.029 0.000 0.928 538 K CB -0.579 31.918 32.500 -0.005 0.000 0.713 538 K HN 0.585 nan 8.250 nan 0.000 0.442 539 Q N 0.330 120.093 119.800 -0.062 0.000 2.061 539 Q HA -0.240 4.099 4.340 -0.001 0.000 0.204 539 Q C 1.917 177.899 176.000 -0.031 0.000 0.984 539 Q CA 2.098 57.861 55.803 -0.067 0.000 0.846 539 Q CB -0.153 28.552 28.738 -0.055 0.000 0.902 539 Q HN 0.482 nan 8.270 nan 0.000 0.421 540 E N -0.037 120.154 120.200 -0.015 0.000 2.077 540 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 540 E C 1.747 178.366 176.600 0.031 0.000 0.989 540 E CA 1.457 57.861 56.400 0.007 0.000 0.800 540 E CB 0.020 29.720 29.700 0.000 0.000 0.746 540 E HN 0.485 nan 8.360 nan 0.000 0.452 541 N N -0.004 118.713 118.700 0.028 0.000 2.188 541 N HA -0.128 4.611 4.740 -0.001 0.000 0.184 541 N C 1.587 177.178 175.510 0.134 0.000 1.018 541 N CA 0.879 53.968 53.050 0.065 0.000 0.858 541 N CB 0.100 38.613 38.487 0.042 0.000 0.989 541 N HN 0.004 nan 8.380 nan 0.000 0.426 542 K N 0.402 120.849 120.400 0.078 0.000 2.103 542 K HA -0.011 4.309 4.320 -0.001 0.000 0.204 542 K C 1.670 178.427 176.600 0.261 0.000 1.052 542 K CA 0.559 56.938 56.287 0.154 0.000 0.945 542 K CB 0.034 32.364 32.500 -0.282 0.000 0.722 542 K HN 0.089 nan 8.250 nan 0.000 0.443 543 L N 1.808 123.111 121.223 0.133 0.000 2.046 543 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 543 L C 2.334 179.281 176.870 0.128 0.000 1.077 543 L CA 1.724 56.635 54.840 0.119 0.000 0.747 543 L CB -0.778 41.319 42.059 0.063 0.000 0.896 543 L HN 0.196 nan 8.230 nan 0.000 0.432 544 K N -0.875 119.604 120.400 0.132 0.000 2.009 544 K HA -0.265 4.055 4.320 -0.001 0.000 0.210 544 K C 2.245 178.945 176.600 0.167 0.000 1.049 544 K CA 1.676 58.039 56.287 0.127 0.000 0.929 544 K CB -0.320 32.250 32.500 0.117 0.000 0.714 544 K HN 0.062 nan 8.250 nan 0.000 0.440 545 F N 1.245 121.276 119.950 0.136 0.000 2.134 545 F HA -0.098 4.429 4.527 -0.001 0.000 0.299 545 F C 2.059 177.970 175.800 0.184 0.000 1.097 545 F CA 1.296 59.398 58.000 0.169 0.000 1.264 545 F CB -0.570 38.551 39.000 0.203 0.000 1.001 545 F HN 0.132 nan 8.300 nan 0.000 0.479 546 A N 0.014 122.910 122.820 0.126 0.000 1.940 546 A HA -0.108 4.212 4.320 -0.001 0.000 0.219 546 A C 2.373 179.906 177.584 -0.085 0.000 1.176 546 A CA 2.026 54.074 52.037 0.019 0.000 0.631 546 A CB -1.427 17.665 19.000 0.153 0.000 0.814 546 A HN 0.462 nan 8.150 nan 0.000 0.446 547 A N -1.864 120.934 122.820 -0.036 0.000 1.903 547 A HA 0.072 4.392 4.320 -0.001 0.000 0.213 547 A C 2.066 179.604 177.584 -0.076 0.000 1.185 547 A CA 1.234 53.246 52.037 -0.043 0.000 0.628 547 A CB -0.808 18.193 19.000 0.002 0.000 0.830 547 A HN 0.725 nan 8.150 nan 0.000 0.446 548 Y N 0.228 120.400 120.300 -0.213 0.000 2.193 548 Y HA -0.207 4.343 4.550 -0.001 0.000 0.285 548 Y C 1.671 177.403 175.900 -0.280 0.000 1.166 548 Y CA 1.830 59.791 58.100 -0.230 0.000 1.181 548 Y CB -0.247 38.078 38.460 -0.225 0.000 0.976 548 Y HN 0.218 nan 8.280 nan 0.000 0.520 549 L N 0.709 121.754 121.223 -0.298 0.000 2.700 549 L HA -0.041 4.298 4.340 -0.001 0.000 0.240 549 L C 0.912 177.688 176.870 -0.157 0.000 1.162 549 L CA 1.596 56.279 54.840 -0.262 0.000 0.874 549 L CB -0.548 41.265 42.059 -0.410 0.000 1.001 549 L HN 0.391 nan 8.230 nan 0.000 0.447 550 E N -2.651 117.432 120.200 -0.195 0.000 2.653 550 E HA 0.077 4.427 4.350 -0.001 0.000 0.218 550 E C 1.741 178.240 176.600 -0.168 0.000 0.911 550 E CA -0.087 56.237 56.400 -0.128 0.000 1.355 550 E CB 0.350 30.004 29.700 -0.076 0.000 1.314 550 E HN 0.271 nan 8.360 nan 0.000 0.686 551 R N 1.025 121.372 120.500 -0.255 0.000 2.055 551 R HA 0.057 4.397 4.340 -0.001 0.000 0.226 551 R C -0.207 175.877 176.300 -0.361 0.000 1.135 551 R CA 1.072 57.022 56.100 -0.250 0.000 0.959 551 R CB 0.366 30.531 30.300 -0.224 0.000 0.854 551 R HN -0.146 nan 8.270 nan 0.000 0.431 552 E N 0.078 119.882 120.200 -0.660 0.000 2.158 552 E HA 0.284 4.634 4.350 -0.001 0.000 0.271 552 E C -1.288 174.810 176.600 -0.837 0.000 0.911 552 E CA -0.459 55.445 56.400 -0.827 0.000 0.767 552 E CB 0.831 29.773 29.700 -1.265 0.000 1.120 552 E HN 0.106 nan 8.360 nan 0.000 0.405 553 Y N 0.157 120.355 120.300 -0.171 0.000 2.675 553 Y HA -0.294 4.256 4.550 -0.001 0.000 0.443 553 Y C -0.017 175.820 175.900 -0.105 0.000 1.485 553 Y CA 0.005 58.040 58.100 -0.109 0.000 1.848 553 Y CB -1.273 37.128 38.460 -0.098 0.000 1.869 553 Y HN 0.544 nan 8.280 nan 0.000 0.452 554 K N -2.624 117.839 120.400 0.105 0.000 2.755 554 K HA 0.910 5.230 4.320 -0.001 0.000 0.294 554 K C -1.004 175.618 176.600 0.036 0.000 1.060 554 K CA -0.296 56.012 56.287 0.034 0.000 0.845 554 K CB 1.677 34.194 32.500 0.027 0.000 1.539 554 K HN 0.884 nan 8.250 nan 0.000 0.379 555 V N -1.748 118.185 119.914 0.032 0.000 6.763 555 V HA 0.202 4.322 4.120 -0.001 0.000 0.070 555 V C -1.496 174.661 176.094 0.105 0.000 0.900 555 V CA 0.600 62.927 62.300 0.046 0.000 0.567 555 V CB 0.232 32.058 31.823 0.004 0.000 0.884 555 V HN 1.114 nan 8.190 nan 0.000 0.740 556 H N 0.259 119.319 119.070 -0.017 0.000 6.149 556 H HA 0.170 4.725 4.556 -0.001 0.000 0.877 556 H C -2.414 172.906 175.328 -0.013 0.000 1.986 556 H CA -0.258 55.786 56.048 -0.006 0.000 1.427 556 H CB -0.406 29.360 29.762 0.005 0.000 4.578 556 H HN 0.353 nan 8.280 nan 0.000 0.668 557 I N 4.260 124.580 120.570 -0.416 0.000 2.392 557 I HA 0.144 4.314 4.170 -0.001 0.000 0.295 557 I C 0.668 176.580 176.117 -0.342 0.000 0.985 557 I CA -0.459 60.654 61.300 -0.311 0.000 1.221 557 I CB 1.272 39.153 38.000 -0.197 0.000 1.366 557 I HN 0.467 nan 8.210 nan 0.000 0.467 558 N N 8.375 126.968 118.700 -0.179 0.000 2.402 558 N HA 0.218 4.958 4.740 -0.001 0.000 0.252 558 N C -2.034 173.551 175.510 0.124 0.000 1.118 558 N CA -1.884 51.143 53.050 -0.038 0.000 0.945 558 N CB 1.128 39.648 38.487 0.055 0.000 1.147 558 N HN 0.288 nan 8.380 nan 0.000 0.495 559 P HA 0.113 nan 4.420 nan 0.000 0.255 559 P C -0.335 177.025 177.300 0.101 0.000 1.301 559 P CA 0.381 63.632 63.100 0.252 0.000 0.817 559 P CB 0.122 31.933 31.700 0.186 0.000 1.259 560 N N -0.674 118.085 118.700 0.099 0.000 2.203 560 N HA 0.016 4.756 4.740 -0.001 0.000 0.207 560 N C 0.257 175.826 175.510 0.099 0.000 1.130 560 N CA -0.114 52.968 53.050 0.054 0.000 0.861 560 N CB 0.258 38.777 38.487 0.053 0.000 1.005 560 N HN 0.117 nan 8.380 nan 0.000 0.507 561 S N -0.219 115.570 115.700 0.149 0.000 2.652 561 S HA 0.258 4.727 4.470 -0.001 0.000 0.270 561 S C 0.065 174.664 174.600 -0.002 0.000 1.243 561 S CA -0.905 57.372 58.200 0.129 0.000 0.999 561 S CB 1.156 64.456 63.200 0.168 0.000 0.973 561 S HN 0.174 nan 8.310 nan 0.000 0.544 562 L N 2.400 123.448 121.223 -0.290 0.000 2.385 562 L HA 0.305 4.645 4.340 -0.001 0.000 0.281 562 L C -1.095 175.702 176.870 -0.121 0.000 1.106 562 L CA -0.627 53.756 54.840 -0.761 0.000 0.856 562 L CB -0.342 41.029 42.059 -1.148 0.000 1.186 562 L HN 0.580 nan 8.230 nan 0.000 0.453 563 F N 3.469 123.263 119.950 -0.260 0.000 2.471 563 F HA 0.154 4.681 4.527 -0.001 0.000 0.365 563 F C 0.584 176.288 175.800 -0.159 0.000 1.095 563 F CA -0.941 56.972 58.000 -0.144 0.000 1.174 563 F CB 0.192 39.154 39.000 -0.064 0.000 1.105 563 F HN 0.432 nan 8.300 nan 0.000 0.535 564 D N 3.906 124.317 120.400 0.019 0.000 2.373 564 D HA 0.383 5.023 4.640 -0.001 0.000 0.227 564 D C -1.142 175.115 176.300 -0.072 0.000 1.091 564 D CA -0.203 53.752 54.000 -0.074 0.000 0.840 564 D CB 1.303 42.039 40.800 -0.106 0.000 1.060 564 D HN 0.323 nan 8.370 nan 0.000 0.502 565 V N 2.177 122.034 119.914 -0.096 0.000 2.638 565 V HA 0.556 4.675 4.120 -0.001 0.000 0.306 565 V C -1.360 174.646 176.094 -0.147 0.000 1.052 565 V CA -0.750 61.498 62.300 -0.086 0.000 0.885 565 V CB 1.807 33.637 31.823 0.012 0.000 0.999 565 V HN 0.535 nan 8.190 nan 0.000 0.424 566 Q N 4.028 123.748 119.800 -0.133 0.000 2.381 566 Q HA 0.704 5.044 4.340 -0.001 0.000 0.263 566 Q C -1.270 174.612 176.000 -0.196 0.000 1.030 566 Q CA -0.642 55.069 55.803 -0.153 0.000 0.772 566 Q CB 1.812 30.472 28.738 -0.130 0.000 1.232 566 Q HN 1.184 nan 8.270 nan 0.000 0.476 567 V N 1.840 121.619 119.914 -0.224 0.000 2.482 567 V HA 0.818 4.937 4.120 -0.001 0.000 0.295 567 V C -0.904 174.953 176.094 -0.395 0.000 1.026 567 V CA -0.660 61.308 62.300 -0.555 0.000 0.856 567 V CB 1.120 32.362 31.823 -0.968 0.000 1.001 567 V HN 0.830 nan 8.190 nan 0.000 0.424 568 K N 2.803 123.019 120.400 -0.308 0.000 2.842 568 K HA 0.517 4.837 4.320 -0.001 0.000 0.293 568 K C -1.088 175.507 176.600 -0.008 0.000 1.068 568 K CA -1.319 54.929 56.287 -0.065 0.000 0.827 568 K CB 1.323 33.772 32.500 -0.086 0.000 1.524 568 K HN 0.534 nan 8.250 nan 0.000 0.368 569 R N 0.411 120.938 120.500 0.045 0.000 2.694 569 R HA 0.215 4.555 4.340 -0.001 0.000 0.268 569 R C 0.184 176.503 176.300 0.030 0.000 1.061 569 R CA -0.584 55.566 56.100 0.083 0.000 1.133 569 R CB 0.115 30.485 30.300 0.116 0.000 1.020 569 R HN 0.333 nan 8.270 nan 0.000 0.475 570 I N 3.276 123.879 120.570 0.055 0.000 2.436 570 I HA 0.084 4.253 4.170 -0.001 0.000 0.289 570 I C 0.287 176.371 176.117 -0.054 0.000 1.083 570 I CA 0.610 61.892 61.300 -0.029 0.000 1.372 570 I CB -0.330 37.647 38.000 -0.038 0.000 1.408 570 I HN 0.529 nan 8.210 nan 0.000 0.516 571 H N 5.324 124.296 119.070 -0.162 0.000 3.038 571 H HA 0.215 4.771 4.556 -0.001 0.000 0.362 571 H C 0.451 175.673 175.328 -0.178 0.000 1.167 571 H CA -0.359 55.646 56.048 -0.072 0.000 1.197 571 H CB 1.802 31.537 29.762 -0.045 0.000 1.840 571 H HN 0.591 nan 8.280 nan 0.000 0.540 572 E N 2.239 122.348 120.200 -0.151 0.000 2.085 572 E HA -0.247 4.102 4.350 -0.001 0.000 0.194 572 E C 1.294 177.741 176.600 -0.255 0.000 0.994 572 E CA 1.739 58.111 56.400 -0.048 0.000 0.801 572 E CB -0.099 29.715 29.700 0.189 0.000 0.743 572 E HN 0.578 nan 8.360 nan 0.000 0.453 573 Y N 1.025 120.918 120.300 -0.679 0.000 2.465 573 Y HA -0.127 4.422 4.550 -0.001 0.000 0.289 573 Y C 1.484 177.146 175.900 -0.396 0.000 1.150 573 Y CA 1.023 58.478 58.100 -1.076 0.000 1.293 573 Y CB -0.060 37.791 38.460 -1.014 0.000 0.977 573 Y HN -0.184 nan 8.280 nan 0.000 0.556 574 K N 0.358 120.442 120.400 -0.527 0.000 2.352 574 K HA 0.162 4.482 4.320 -0.001 0.000 0.194 574 K C 0.176 176.620 176.600 -0.259 0.000 1.038 574 K CA 0.176 56.162 56.287 -0.502 0.000 1.023 574 K CB 0.194 32.355 32.500 -0.566 0.000 0.840 574 K HN 0.169 nan 8.250 nan 0.000 0.519 575 R N 0.709 121.089 120.500 -0.199 0.000 3.336 575 R HA -0.212 4.128 4.340 -0.001 0.000 0.260 575 R C 0.364 176.580 176.300 -0.140 0.000 1.032 575 R CA 0.051 56.068 56.100 -0.139 0.000 0.693 575 R CB -1.593 28.637 30.300 -0.117 0.000 1.134 575 R HN 0.217 nan 8.270 nan 0.000 0.433 576 Q N 0.174 119.891 119.800 -0.138 0.000 2.181 576 Q HA -0.087 4.253 4.340 -0.001 0.000 0.205 576 Q C 1.877 177.813 176.000 -0.107 0.000 0.980 576 Q CA 1.575 57.308 55.803 -0.117 0.000 0.862 576 Q CB 0.022 28.692 28.738 -0.112 0.000 0.905 576 Q HN 0.595 nan 8.270 nan 0.000 0.429 577 L N -0.507 120.652 121.223 -0.107 0.000 2.083 577 L HA -0.174 4.165 4.340 -0.001 0.000 0.209 577 L C 2.038 178.891 176.870 -0.029 0.000 1.083 577 L CA 0.540 55.331 54.840 -0.081 0.000 0.752 577 L CB -0.407 41.609 42.059 -0.071 0.000 0.899 577 L HN 0.310 nan 8.230 nan 0.000 0.433 578 L N 0.110 121.299 121.223 -0.056 0.000 2.083 578 L HA -0.234 4.105 4.340 -0.001 0.000 0.209 578 L C 2.024 178.878 176.870 -0.027 0.000 1.083 578 L CA 1.909 56.706 54.840 -0.070 0.000 0.752 578 L CB -0.890 41.010 42.059 -0.264 0.000 0.899 578 L HN 0.297 nan 8.230 nan 0.000 0.433 579 N N -1.657 117.013 118.700 -0.050 0.000 2.106 579 N HA -0.204 4.535 4.740 -0.001 0.000 0.188 579 N C 1.920 177.499 175.510 0.114 0.000 1.029 579 N CA 1.466 54.575 53.050 0.099 0.000 0.848 579 N CB -0.108 38.389 38.487 0.017 0.000 1.007 579 N HN 0.488 nan 8.380 nan 0.000 0.423 580 C N 0.827 120.130 119.300 0.006 0.000 2.413 580 C HA -0.078 4.382 4.460 -0.001 0.000 0.276 580 C C 2.638 177.632 174.990 0.006 0.000 1.248 580 C CA 0.358 59.344 59.018 -0.053 0.000 1.742 580 C CB -1.312 26.336 27.740 -0.153 0.000 2.017 580 C HN 0.501 nan 8.230 nan 0.000 0.481 581 L N -0.122 121.163 121.223 0.104 0.000 2.017 581 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 581 L C 2.841 179.878 176.870 0.279 0.000 1.073 581 L CA 1.955 56.917 54.840 0.203 0.000 0.745 581 L CB -1.137 41.123 42.059 0.335 0.000 0.894 581 L HN 0.565 nan 8.230 nan 0.000 0.432 582 H N 0.152 119.356 119.070 0.223 0.000 2.387 582 H HA -0.117 4.439 4.556 -0.001 0.000 0.299 582 H C 2.156 177.498 175.328 0.022 0.000 1.090 582 H CA 1.794 57.902 56.048 0.100 0.000 1.332 582 H CB 0.288 30.102 29.762 0.087 0.000 1.386 582 H HN 0.114 nan 8.280 nan 0.000 0.516 583 V N 1.467 121.368 119.914 -0.022 0.000 2.295 583 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 583 V C 2.861 178.904 176.094 -0.085 0.000 1.049 583 V CA 1.877 64.117 62.300 -0.101 0.000 1.024 583 V CB -0.496 31.289 31.823 -0.063 0.000 0.648 583 V HN 0.359 nan 8.190 nan 0.000 0.447 584 I N -0.293 120.260 120.570 -0.029 0.000 2.439 584 I HA -0.177 3.993 4.170 -0.001 0.000 0.251 584 I C 2.496 178.686 176.117 0.123 0.000 1.139 584 I CA 1.317 62.669 61.300 0.088 0.000 1.438 584 I CB -0.640 37.412 38.000 0.086 0.000 1.085 584 I HN 0.313 nan 8.210 nan 0.000 0.427 585 T N 1.448 116.021 114.554 0.031 0.000 2.622 585 T HA -0.187 4.162 4.350 -0.001 0.000 0.266 585 T C 1.885 176.534 174.700 -0.085 0.000 1.047 585 T CA 1.431 63.525 62.100 -0.010 0.000 1.159 585 T CB -0.330 68.517 68.868 -0.034 0.000 0.863 585 T HN 0.084 nan 8.240 nan 0.000 0.422 586 L N 0.131 121.231 121.223 -0.206 0.000 2.081 586 L HA -0.105 4.234 4.340 -0.001 0.000 0.212 586 L C 2.119 178.969 176.870 -0.033 0.000 1.080 586 L CA 1.627 56.362 54.840 -0.174 0.000 0.754 586 L CB -1.065 40.861 42.059 -0.222 0.000 0.893 586 L HN 0.368 nan 8.230 nan 0.000 0.433 587 Y N 0.345 120.592 120.300 -0.089 0.000 2.163 587 Y HA -0.220 4.329 4.550 -0.001 0.000 0.288 587 Y C 2.451 178.336 175.900 -0.026 0.000 1.136 587 Y CA 1.650 59.735 58.100 -0.025 0.000 1.147 587 Y CB -0.284 38.205 38.460 0.047 0.000 0.987 587 Y HN 0.254 nan 8.280 nan 0.000 0.509 588 N N 0.451 119.106 118.700 -0.075 0.000 2.149 588 N HA -0.173 4.566 4.740 -0.001 0.000 0.188 588 N C 1.909 177.307 175.510 -0.186 0.000 1.019 588 N CA 1.308 54.247 53.050 -0.186 0.000 0.857 588 N CB -0.406 38.039 38.487 -0.070 0.000 0.997 588 N HN 0.238 nan 8.380 nan 0.000 0.426 589 R N 0.846 121.265 120.500 -0.134 0.000 2.083 589 R HA 0.074 4.413 4.340 -0.001 0.000 0.237 589 R C 2.162 178.380 176.300 -0.136 0.000 1.137 589 R CA 0.976 57.004 56.100 -0.120 0.000 0.951 589 R CB -0.503 29.729 30.300 -0.112 0.000 0.851 589 R HN 0.283 nan 8.270 nan 0.000 0.434 590 I N 0.272 120.747 120.570 -0.158 0.000 2.353 590 I HA -0.208 3.962 4.170 -0.001 0.000 0.248 590 I C 1.737 177.754 176.117 -0.166 0.000 1.119 590 I CA 0.914 62.131 61.300 -0.140 0.000 1.417 590 I CB -0.168 37.766 38.000 -0.110 0.000 1.078 590 I HN 0.028 nan 8.210 nan 0.000 0.421 591 K N 1.071 121.312 120.400 -0.265 0.000 2.155 591 K HA -0.144 4.175 4.320 -0.001 0.000 0.203 591 K C 1.962 178.468 176.600 -0.157 0.000 1.052 591 K CA 0.997 57.135 56.287 -0.247 0.000 0.948 591 K CB -0.338 31.927 32.500 -0.392 0.000 0.728 591 K HN 0.291 nan 8.250 nan 0.000 0.448 592 K N 1.268 121.579 120.400 -0.149 0.000 2.155 592 K HA -0.102 4.218 4.320 -0.001 0.000 0.203 592 K C -0.231 176.323 176.600 -0.077 0.000 1.052 592 K CA 1.138 57.362 56.287 -0.105 0.000 0.948 592 K CB 0.291 32.729 32.500 -0.103 0.000 0.728 592 K HN 0.016 nan 8.250 nan 0.000 0.448 593 E N -0.200 119.954 120.200 -0.077 0.000 3.352 593 E HA 0.136 4.485 4.350 -0.001 0.000 0.254 593 E C -2.378 174.194 176.600 -0.047 0.000 1.229 593 E CA -1.422 54.947 56.400 -0.052 0.000 0.949 593 E CB 1.802 31.475 29.700 -0.044 0.000 1.373 593 E HN 0.066 nan 8.360 nan 0.000 0.392 594 P HA -0.104 nan 4.420 nan 0.000 0.229 594 P C 0.276 177.575 177.300 -0.002 0.000 1.150 594 P CA 0.870 63.953 63.100 -0.028 0.000 0.765 594 P CB 0.243 31.928 31.700 -0.024 0.000 0.783 595 N N -1.574 117.128 118.700 0.004 0.000 2.200 595 N HA 0.037 4.776 4.740 -0.001 0.000 0.224 595 N C 0.308 175.847 175.510 0.049 0.000 1.179 595 N CA 0.056 53.122 53.050 0.028 0.000 0.877 595 N CB 0.393 38.891 38.487 0.019 0.000 1.072 595 N HN 0.054 nan 8.380 nan 0.000 0.519 596 K N 0.912 121.334 120.400 0.037 0.000 2.174 596 K HA 0.172 4.492 4.320 -0.001 0.000 0.275 596 K C -0.732 175.924 176.600 0.095 0.000 1.015 596 K CA -0.497 55.818 56.287 0.046 0.000 0.933 596 K CB 0.619 33.116 32.500 -0.005 0.000 1.025 596 K HN -0.153 nan 8.250 nan 0.000 0.463 597 F N 3.821 123.763 119.950 -0.013 0.000 2.427 597 F HA 0.278 4.804 4.527 -0.001 0.000 0.352 597 F C -0.460 175.333 175.800 -0.011 0.000 1.100 597 F CA -0.556 57.438 58.000 -0.009 0.000 1.191 597 F CB 0.737 39.734 39.000 -0.005 0.000 1.128 597 F HN 0.071 nan 8.300 nan 0.000 0.533 598 V N 7.409 126.685 119.914 -1.064 0.000 2.638 598 V HA 0.431 4.550 4.120 -0.001 0.000 0.306 598 V C -1.136 174.331 176.094 -1.045 0.000 1.052 598 V CA -0.818 61.025 62.300 -0.762 0.000 0.885 598 V CB 2.115 33.727 31.823 -0.352 0.000 0.999 598 V HN 0.527 nan 8.190 nan 0.000 0.424 599 V N 10.024 129.555 119.914 -0.637 0.000 2.485 599 V HA 0.217 4.337 4.120 -0.001 0.000 0.287 599 V C -1.694 174.263 176.094 -0.229 0.000 1.022 599 V CA -0.776 61.319 62.300 -0.342 0.000 1.067 599 V CB 0.993 32.757 31.823 -0.099 0.000 0.967 599 V HN 0.823 nan 8.190 nan 0.000 0.479 600 P HA 0.362 nan 4.420 nan 0.000 0.271 600 P C -0.722 176.535 177.300 -0.070 0.000 1.218 600 P CA -0.412 62.650 63.100 -0.064 0.000 0.780 600 P CB 0.977 32.691 31.700 0.023 0.000 0.901 601 R N 0.245 120.707 120.500 -0.063 0.000 2.651 601 R HA 0.501 4.841 4.340 -0.001 0.000 0.278 601 R C -0.679 175.599 176.300 -0.037 0.000 1.010 601 R CA -0.605 55.452 56.100 -0.071 0.000 0.896 601 R CB 1.925 32.163 30.300 -0.105 0.000 1.211 601 R HN 0.311 nan 8.270 nan 0.000 0.456 602 T N 2.229 116.767 114.554 -0.026 0.000 2.801 602 T HA 0.228 4.578 4.350 -0.001 0.000 0.306 602 T C -0.393 174.242 174.700 -0.108 0.000 1.020 602 T CA -0.578 61.459 62.100 -0.106 0.000 0.948 602 T CB 0.863 69.570 68.868 -0.269 0.000 0.962 602 T HN 0.371 nan 8.240 nan 0.000 0.465 603 V N 4.232 124.092 119.914 -0.089 0.000 2.407 603 V HA 0.712 4.832 4.120 -0.001 0.000 0.278 603 V C -0.499 175.544 176.094 -0.085 0.000 1.037 603 V CA -0.781 61.472 62.300 -0.078 0.000 0.900 603 V CB 0.754 32.547 31.823 -0.050 0.000 0.983 603 V HN 0.836 nan 8.190 nan 0.000 0.459 604 M N 7.110 126.656 119.600 -0.090 0.000 2.243 604 M HA 0.642 5.122 4.480 -0.001 0.000 0.324 604 M C -0.977 175.263 176.300 -0.099 0.000 1.031 604 M CA -0.297 54.949 55.300 -0.091 0.000 0.949 604 M CB 2.104 34.647 32.600 -0.094 0.000 1.615 604 M HN 0.519 nan 8.290 nan 0.000 0.430 605 I N 1.596 122.108 120.570 -0.097 0.000 2.545 605 I HA 0.863 5.032 4.170 -0.001 0.000 0.292 605 I C -0.050 175.889 176.117 -0.297 0.000 1.040 605 I CA -0.637 60.604 61.300 -0.098 0.000 1.068 605 I CB 2.465 40.499 38.000 0.058 0.000 1.251 605 I HN 0.861 nan 8.210 nan 0.000 0.424 606 G N 2.908 111.482 108.800 -0.378 0.000 2.733 606 G HA2 0.791 4.751 3.960 -0.001 0.000 0.297 606 G HA3 0.791 4.751 3.960 -0.001 0.000 0.297 606 G C -0.983 173.714 174.900 -0.338 0.000 1.422 606 G CA -0.424 44.305 45.100 -0.619 0.000 0.942 606 G HN 1.014 nan 8.290 nan 0.000 0.510 607 G N -0.235 108.482 108.800 -0.138 0.000 2.341 607 G HA2 0.459 4.419 3.960 -0.001 0.000 0.293 607 G HA3 0.459 4.419 3.960 -0.001 0.000 0.293 607 G C -1.691 173.371 174.900 0.270 0.000 1.298 607 G CA -0.974 44.199 45.100 0.121 0.000 0.868 607 G HN 0.619 nan 8.290 nan 0.000 0.540 608 K N 0.497 121.051 120.400 0.257 0.000 2.259 608 K HA 0.730 5.050 4.320 -0.001 0.000 0.252 608 K C -1.290 175.464 176.600 0.257 0.000 0.936 608 K CA -0.950 55.519 56.287 0.303 0.000 0.810 608 K CB 3.006 35.683 32.500 0.295 0.000 1.143 608 K HN 0.401 nan 8.250 nan 0.000 0.427 609 P HA 0.228 nan 4.420 nan 0.000 0.200 609 P C -0.970 176.483 177.300 0.255 0.000 1.198 609 P CA 1.427 64.617 63.100 0.151 0.000 0.892 609 P CB 0.123 31.863 31.700 0.066 0.000 0.724 610 A N -2.654 120.345 122.820 0.300 0.000 1.724 610 A HA 0.457 4.777 4.320 -0.001 0.000 0.238 610 A C -3.335 174.393 177.584 0.240 0.000 0.903 610 A CA -0.440 51.799 52.037 0.337 0.000 0.652 610 A CB -0.917 18.295 19.000 0.352 0.000 0.679 610 A HN 0.155 nan 8.150 nan 0.000 0.326 611 P HA 0.392 nan 4.420 nan 0.000 0.263 611 P C 1.271 178.646 177.300 0.126 0.000 1.195 611 P CA 2.146 65.284 63.100 0.064 0.000 0.762 611 P CB 0.756 32.466 31.700 0.016 0.000 0.799 612 G N 2.122 110.994 108.800 0.120 0.000 2.199 612 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.254 612 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.254 612 G C -0.232 174.808 174.900 0.233 0.000 0.982 612 G CA -0.347 44.840 45.100 0.145 0.000 0.632 612 G HN 0.547 nan 8.290 nan 0.000 0.529 613 Y N 2.656 123.010 120.300 0.090 0.000 2.594 613 Y HA 0.473 5.023 4.550 -0.001 0.000 0.342 613 Y C 1.357 177.304 175.900 0.078 0.000 1.010 613 Y CA -0.880 57.267 58.100 0.078 0.000 1.270 613 Y CB -0.391 38.096 38.460 0.045 0.000 1.125 613 Y HN 0.378 nan 8.280 nan 0.000 0.513 614 H N 4.231 123.489 119.070 0.312 0.000 2.293 614 H HA -0.184 4.372 4.556 -0.001 0.000 0.300 614 H C 1.484 176.863 175.328 0.085 0.000 1.082 614 H CA 2.223 58.368 56.048 0.162 0.000 1.308 614 H CB 0.436 30.288 29.762 0.149 0.000 1.375 614 H HN 0.655 nan 8.280 nan 0.000 0.495 615 M N 0.985 120.481 119.600 -0.175 0.000 2.086 615 M HA -0.092 4.387 4.480 -0.001 0.000 0.261 615 M C 2.629 178.655 176.300 -0.456 0.000 1.067 615 M CA 1.893 57.007 55.300 -0.310 0.000 1.116 615 M CB -0.637 31.900 32.600 -0.106 0.000 1.348 615 M HN 0.368 nan 8.290 nan 0.000 0.407 616 A N -0.678 121.659 122.820 -0.805 0.000 1.933 616 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 616 A C 2.162 179.550 177.584 -0.327 0.000 1.175 616 A CA 1.934 53.547 52.037 -0.707 0.000 0.628 616 A CB -0.652 17.756 19.000 -0.986 0.000 0.814 616 A HN 0.567 nan 8.150 nan 0.000 0.444 617 K N -1.123 119.153 120.400 -0.206 0.000 2.097 617 K HA -0.064 4.255 4.320 -0.001 0.000 0.205 617 K C 1.992 178.574 176.600 -0.031 0.000 1.050 617 K CA 1.388 57.647 56.287 -0.047 0.000 0.938 617 K CB -0.210 32.328 32.500 0.063 0.000 0.718 617 K HN 0.329 nan 8.250 nan 0.000 0.442 618 M N 0.513 120.045 119.600 -0.114 0.000 2.159 618 M HA -0.105 4.374 4.480 -0.001 0.000 0.263 618 M C 2.110 178.323 176.300 -0.145 0.000 1.063 618 M CA 1.502 56.768 55.300 -0.056 0.000 1.110 618 M CB -0.663 31.855 32.600 -0.137 0.000 1.374 618 M HN 0.149 nan 8.290 nan 0.000 0.411 619 I N -0.116 120.320 120.570 -0.224 0.000 2.179 619 I HA -0.307 3.863 4.170 -0.001 0.000 0.242 619 I C 2.315 178.245 176.117 -0.311 0.000 1.088 619 I CA 1.117 62.257 61.300 -0.267 0.000 1.357 619 I CB -0.372 37.475 38.000 -0.255 0.000 1.051 619 I HN 0.177 nan 8.210 nan 0.000 0.409 620 I N 0.754 121.131 120.570 -0.322 0.000 2.208 620 I HA -0.314 3.856 4.170 -0.001 0.000 0.245 620 I C 2.588 178.386 176.117 -0.531 0.000 1.097 620 I CA 1.311 62.303 61.300 -0.514 0.000 1.363 620 I CB -0.457 37.246 38.000 -0.496 0.000 1.051 620 I HN 0.199 nan 8.210 nan 0.000 0.413 621 K N 1.630 121.779 120.400 -0.418 0.000 2.097 621 K HA -0.108 4.211 4.320 -0.001 0.000 0.205 621 K C 1.989 178.378 176.600 -0.351 0.000 1.050 621 K CA 1.336 57.324 56.287 -0.498 0.000 0.938 621 K CB -0.546 31.481 32.500 -0.789 0.000 0.718 621 K HN 0.241 nan 8.250 nan 0.000 0.442 622 L N 0.302 121.263 121.223 -0.437 0.000 1.989 622 L HA -0.191 4.148 4.340 -0.001 0.000 0.211 622 L C 2.195 178.779 176.870 -0.477 0.000 1.071 622 L CA 1.749 56.179 54.840 -0.683 0.000 0.749 622 L CB -0.295 41.325 42.059 -0.732 0.000 0.890 622 L HN 0.214 nan 8.230 nan 0.000 0.431 623 I N -0.943 119.392 120.570 -0.392 0.000 2.264 623 I HA -0.310 3.859 4.170 -0.001 0.000 0.248 623 I C 2.394 178.362 176.117 -0.249 0.000 1.111 623 I CA 1.521 62.646 61.300 -0.292 0.000 1.382 623 I CB -0.719 37.161 38.000 -0.200 0.000 1.060 623 I HN 0.302 nan 8.210 nan 0.000 0.418 624 T N 1.046 115.420 114.554 -0.299 0.000 2.595 624 T HA -0.233 4.117 4.350 -0.001 0.000 0.264 624 T C 2.166 176.767 174.700 -0.165 0.000 1.058 624 T CA 1.742 63.707 62.100 -0.225 0.000 1.166 624 T CB -0.544 68.150 68.868 -0.290 0.000 0.863 624 T HN 0.495 nan 8.240 nan 0.000 0.415 625 A N 1.395 124.120 122.820 -0.159 0.000 1.869 625 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 625 A C 2.325 179.885 177.584 -0.038 0.000 1.203 625 A CA 1.998 54.014 52.037 -0.034 0.000 0.638 625 A CB -1.155 17.917 19.000 0.120 0.000 0.831 625 A HN 0.552 nan 8.150 nan 0.000 0.450 626 I N -0.468 119.961 120.570 -0.234 0.000 2.113 626 I HA -0.309 3.861 4.170 -0.001 0.000 0.242 626 I C 2.747 178.761 176.117 -0.171 0.000 1.064 626 I CA 1.442 62.545 61.300 -0.329 0.000 1.320 626 I CB -0.926 36.787 38.000 -0.478 0.000 1.028 626 I HN 0.445 nan 8.210 nan 0.000 0.406 627 G N 0.396 109.101 108.800 -0.158 0.000 2.469 627 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.219 627 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.219 627 G C 1.301 176.123 174.900 -0.130 0.000 1.150 627 G CA 1.159 46.177 45.100 -0.137 0.000 0.763 627 G HN 0.331 nan 8.290 nan 0.000 0.561 628 D N 0.018 120.389 120.400 -0.049 0.000 2.144 628 D HA -0.071 4.569 4.640 -0.001 0.000 0.199 628 D C 2.737 179.103 176.300 0.110 0.000 0.984 628 D CA 0.717 54.757 54.000 0.068 0.000 0.834 628 D CB -0.155 40.710 40.800 0.108 0.000 0.955 628 D HN 0.241 nan 8.370 nan 0.000 0.465 629 V N 1.084 121.021 119.914 0.038 0.000 2.231 629 V HA -0.171 3.948 4.120 -0.001 0.000 0.240 629 V C 2.685 178.749 176.094 -0.050 0.000 1.039 629 V CA 1.661 63.966 62.300 0.008 0.000 0.998 629 V CB -0.644 31.191 31.823 0.019 0.000 0.639 629 V HN 0.138 nan 8.190 nan 0.000 0.451 630 V N -0.006 119.798 119.914 -0.183 0.000 2.626 630 V HA -0.127 3.993 4.120 -0.001 0.000 0.252 630 V C 1.912 177.962 176.094 -0.073 0.000 1.067 630 V CA 2.230 64.417 62.300 -0.188 0.000 1.081 630 V CB -0.938 30.707 31.823 -0.297 0.000 0.686 630 V HN 0.577 nan 8.190 nan 0.000 0.468 631 N N 0.422 119.015 118.700 -0.178 0.000 2.550 631 N HA -0.017 4.723 4.740 -0.001 0.000 0.186 631 N C 0.629 175.964 175.510 -0.291 0.000 1.110 631 N CA 1.196 54.092 53.050 -0.257 0.000 0.912 631 N CB -0.468 37.775 38.487 -0.407 0.000 0.968 631 N HN 0.838 nan 8.380 nan 0.000 0.448 632 H N -1.662 117.426 119.070 0.030 0.000 2.575 632 H HA 0.222 4.777 4.556 -0.001 0.000 0.256 632 H C -0.791 174.565 175.328 0.048 0.000 1.162 632 H CA -0.505 55.559 56.048 0.028 0.000 0.969 632 H CB 0.674 30.442 29.762 0.010 0.000 1.796 632 H HN -0.046 nan 8.280 nan 0.000 0.607 633 D N 1.385 121.876 120.400 0.150 0.000 2.329 633 D HA 0.099 4.739 4.640 -0.001 0.000 0.232 633 D C -1.811 174.564 176.300 0.124 0.000 1.088 633 D CA -2.120 51.982 54.000 0.170 0.000 0.835 633 D CB 2.045 43.014 40.800 0.282 0.000 1.078 633 D HN 0.087 nan 8.370 nan 0.000 0.495 634 P HA -0.099 nan 4.420 nan 0.000 0.218 634 P C 1.568 178.901 177.300 0.054 0.000 1.149 634 P CA 0.337 63.474 63.100 0.062 0.000 0.817 634 P CB 0.556 32.285 31.700 0.048 0.000 0.785 635 V N -0.642 119.307 119.914 0.057 0.000 2.358 635 V HA -0.167 3.953 4.120 -0.001 0.000 0.246 635 V C 2.385 178.503 176.094 0.041 0.000 1.047 635 V CA 1.578 63.900 62.300 0.036 0.000 1.035 635 V CB -0.994 30.838 31.823 0.014 0.000 0.658 635 V HN -0.025 nan 8.190 nan 0.000 0.452 636 V N -0.311 119.648 119.914 0.074 0.000 2.427 636 V HA 0.019 4.139 4.120 -0.001 0.000 0.248 636 V C 1.933 178.070 176.094 0.072 0.000 1.051 636 V CA 1.761 64.113 62.300 0.087 0.000 1.048 636 V CB -0.821 31.112 31.823 0.184 0.000 0.666 636 V HN 0.763 nan 8.190 nan 0.000 0.456 637 G N 1.302 110.146 108.800 0.072 0.000 2.601 637 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.306 637 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.306 637 G C 0.189 175.135 174.900 0.077 0.000 1.172 637 G CA 0.650 45.786 45.100 0.061 0.000 0.966 637 G HN 0.818 nan 8.290 nan 0.000 0.542 638 D N -0.559 119.894 120.400 0.089 0.000 2.992 638 D HA 0.451 5.090 4.640 -0.001 0.000 0.372 638 D C 1.066 177.416 176.300 0.084 0.000 1.374 638 D CA -0.289 53.779 54.000 0.113 0.000 0.769 638 D CB -0.055 40.866 40.800 0.200 0.000 1.215 638 D HN 0.557 nan 8.370 nan 0.000 0.473 639 R N -0.380 120.154 120.500 0.056 0.000 2.223 639 R HA 0.403 4.743 4.340 -0.001 0.000 0.198 639 R C 0.285 176.585 176.300 0.000 0.000 0.984 639 R CA 0.349 56.460 56.100 0.019 0.000 1.018 639 R CB 0.885 31.185 30.300 -0.001 0.000 0.945 639 R HN 0.174 nan 8.270 nan 0.000 0.479 640 L N 0.807 122.044 121.223 0.022 0.000 2.455 640 L HA 0.509 4.848 4.340 -0.001 0.000 0.264 640 L C -1.109 175.765 176.870 0.007 0.000 0.968 640 L CA -0.862 53.983 54.840 0.008 0.000 0.827 640 L CB 2.065 44.144 42.059 0.032 0.000 1.317 640 L HN 0.012 nan 8.230 nan 0.000 0.407 641 R N 2.643 123.128 120.500 -0.025 0.000 2.621 641 R HA 0.640 4.980 4.340 -0.001 0.000 0.284 641 R C -1.548 174.709 176.300 -0.073 0.000 0.998 641 R CA -0.696 55.375 56.100 -0.049 0.000 0.895 641 R CB 2.673 32.940 30.300 -0.055 0.000 1.195 641 R HN 0.292 nan 8.270 nan 0.000 0.450 642 V N 5.080 124.944 119.914 -0.085 0.000 2.407 642 V HA 0.529 4.648 4.120 -0.001 0.000 0.291 642 V C -0.026 176.027 176.094 -0.069 0.000 1.018 642 V CA -0.583 61.667 62.300 -0.083 0.000 0.842 642 V CB 1.870 33.633 31.823 -0.101 0.000 0.996 642 V HN 0.568 nan 8.190 nan 0.000 0.426 643 I N 4.951 125.490 120.570 -0.052 0.000 2.436 643 I HA 0.414 4.583 4.170 -0.001 0.000 0.289 643 I C -1.065 175.061 176.117 0.014 0.000 1.010 643 I CA -0.548 60.734 61.300 -0.029 0.000 1.098 643 I CB 2.136 40.103 38.000 -0.056 0.000 1.266 643 I HN 0.515 nan 8.210 nan 0.000 0.434 644 F N 7.669 127.561 119.950 -0.097 0.000 2.350 644 F HA 0.432 4.959 4.527 -0.001 0.000 0.365 644 F C -0.389 175.357 175.800 -0.090 0.000 1.122 644 F CA -0.565 57.379 58.000 -0.094 0.000 1.139 644 F CB 0.528 39.467 39.000 -0.102 0.000 1.220 644 F HN 0.224 nan 8.300 nan 0.000 0.499 645 L N 6.042 126.914 121.223 -0.585 0.000 2.325 645 L HA 0.195 4.534 4.340 -0.001 0.000 0.284 645 L C 0.515 177.043 176.870 -0.569 0.000 1.089 645 L CA -0.126 54.470 54.840 -0.407 0.000 0.836 645 L CB 0.391 42.336 42.059 -0.190 0.000 1.184 645 L HN 0.589 nan 8.230 nan 0.000 0.444 646 E N 4.401 124.357 120.200 -0.405 0.000 2.376 646 E HA -0.084 4.266 4.350 -0.001 0.000 0.266 646 E C 0.300 176.885 176.600 -0.025 0.000 1.009 646 E CA -0.257 56.017 56.400 -0.210 0.000 0.902 646 E CB 0.371 29.902 29.700 -0.282 0.000 0.972 646 E HN 0.588 nan 8.360 nan 0.000 0.439 647 N N 3.302 122.058 118.700 0.093 0.000 2.746 647 N HA -0.274 4.466 4.740 -0.001 0.000 0.250 647 N C -1.503 174.097 175.510 0.151 0.000 1.055 647 N CA 0.500 53.650 53.050 0.166 0.000 0.699 647 N CB -1.698 36.902 38.487 0.187 0.000 0.919 647 N HN 0.509 nan 8.380 nan 0.000 0.548 648 Y N 1.590 121.898 120.300 0.013 0.000 2.702 648 Y HA 0.207 4.757 4.550 -0.001 0.000 0.336 648 Y C 1.186 177.117 175.900 0.051 0.000 1.235 648 Y CA 0.919 59.024 58.100 0.008 0.000 1.492 648 Y CB 0.420 38.858 38.460 -0.036 0.000 1.308 648 Y HN 0.445 nan 8.280 nan 0.000 0.589 649 R N 2.211 122.344 120.500 -0.611 0.000 2.752 649 R HA 0.360 4.699 4.340 -0.001 0.000 0.277 649 R C -0.460 175.454 176.300 -0.643 0.000 1.024 649 R CA -0.430 55.368 56.100 -0.503 0.000 0.866 649 R CB 0.227 30.400 30.300 -0.211 0.000 1.278 649 R HN 0.392 nan 8.270 nan 0.000 0.473 650 V N 1.135 120.674 119.914 -0.624 0.000 2.278 650 V HA -0.320 3.799 4.120 -0.001 0.000 0.251 650 V C 2.451 178.390 176.094 -0.259 0.000 1.062 650 V CA 2.915 64.970 62.300 -0.408 0.000 1.038 650 V CB -0.937 30.598 31.823 -0.482 0.000 0.646 650 V HN 0.891 nan 8.190 nan 0.000 0.447 651 S N -0.620 114.929 115.700 -0.252 0.000 2.423 651 S HA -0.064 4.405 4.470 -0.001 0.000 0.231 651 S C 1.958 176.478 174.600 -0.132 0.000 1.014 651 S CA 1.227 59.318 58.200 -0.181 0.000 0.965 651 S CB -0.427 62.688 63.200 -0.141 0.000 0.785 651 S HN 0.513 nan 8.310 nan 0.000 0.495 652 L N 0.893 122.041 121.223 -0.124 0.000 2.131 652 L HA 0.088 4.427 4.340 -0.001 0.000 0.206 652 L C 2.916 179.787 176.870 0.001 0.000 1.087 652 L CA 1.000 55.828 54.840 -0.019 0.000 0.767 652 L CB -0.676 41.440 42.059 0.095 0.000 0.917 652 L HN 0.458 nan 8.230 nan 0.000 0.441 653 A N -0.304 122.470 122.820 -0.075 0.000 1.978 653 A HA -0.244 4.075 4.320 -0.001 0.000 0.220 653 A C 2.000 179.659 177.584 0.124 0.000 1.170 653 A CA 1.625 53.715 52.037 0.089 0.000 0.636 653 A CB -0.408 18.631 19.000 0.065 0.000 0.810 653 A HN 0.500 nan 8.150 nan 0.000 0.448 654 E N -0.339 119.909 120.200 0.080 0.000 2.204 654 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 654 E C 1.746 178.324 176.600 -0.037 0.000 0.989 654 E CA 1.053 57.464 56.400 0.018 0.000 0.824 654 E CB 0.004 29.618 29.700 -0.142 0.000 0.756 654 E HN 0.575 nan 8.360 nan 0.000 0.477 655 K N 0.158 120.517 120.400 -0.069 0.000 2.168 655 K HA 0.026 4.346 4.320 -0.001 0.000 0.201 655 K C 2.163 178.655 176.600 -0.180 0.000 1.049 655 K CA 0.447 56.692 56.287 -0.070 0.000 0.974 655 K CB -0.155 32.306 32.500 -0.064 0.000 0.792 655 K HN 0.024 nan 8.250 nan 0.000 0.463 656 V N 1.818 121.523 119.914 -0.349 0.000 2.725 656 V HA -0.032 4.087 4.120 -0.001 0.000 0.247 656 V C 1.938 177.815 176.094 -0.361 0.000 1.058 656 V CA 0.743 62.614 62.300 -0.714 0.000 1.080 656 V CB -0.132 31.331 31.823 -0.599 0.000 0.713 656 V HN 0.155 nan 8.190 nan 0.000 0.465 657 I N 1.656 122.066 120.570 -0.266 0.000 2.286 657 I HA -0.043 4.126 4.170 -0.001 0.000 0.245 657 I C -0.129 175.900 176.117 -0.146 0.000 1.104 657 I CA 1.338 62.425 61.300 -0.355 0.000 1.397 657 I CB -1.505 36.161 38.000 -0.557 0.000 1.072 657 I HN 0.341 nan 8.210 nan 0.000 0.417 658 P HA -0.154 nan 4.420 nan 0.000 0.226 658 P C 0.916 178.220 177.300 0.006 0.000 1.146 658 P CA 1.463 64.556 63.100 -0.012 0.000 0.773 658 P CB 0.048 31.748 31.700 0.001 0.000 0.772 659 A N -0.876 121.935 122.820 -0.015 0.000 2.308 659 A HA 0.479 4.799 4.320 -0.001 0.000 0.217 659 A C 1.275 178.913 177.584 0.091 0.000 1.216 659 A CA 0.098 52.166 52.037 0.053 0.000 0.864 659 A CB -0.329 18.732 19.000 0.102 0.000 0.902 659 A HN 0.253 nan 8.150 nan 0.000 0.499 660 A N -0.361 122.527 122.820 0.114 0.000 2.304 660 A HA 0.532 4.851 4.320 -0.001 0.000 0.301 660 A C 0.289 177.970 177.584 0.161 0.000 1.132 660 A CA -0.279 51.871 52.037 0.190 0.000 0.819 660 A CB 0.511 19.713 19.000 0.337 0.000 1.094 660 A HN 0.236 nan 8.150 nan 0.000 0.492 661 D N 0.294 120.764 120.400 0.116 0.000 2.490 661 D HA 0.129 4.769 4.640 -0.001 0.000 0.244 661 D C 0.054 176.492 176.300 0.230 0.000 0.979 661 D CA 0.633 54.733 54.000 0.168 0.000 0.924 661 D CB 0.259 40.951 40.800 -0.179 0.000 1.075 661 D HN 0.360 nan 8.370 nan 0.000 0.488 662 L N 1.193 122.432 121.223 0.026 0.000 2.341 662 L HA 0.303 4.643 4.340 -0.001 0.000 0.278 662 L C -0.642 176.077 176.870 -0.252 0.000 1.005 662 L CA -0.229 54.563 54.840 -0.079 0.000 0.818 662 L CB 2.039 44.005 42.059 -0.156 0.000 1.259 662 L HN -0.164 nan 8.230 nan 0.000 0.418 663 S N 3.989 119.450 115.700 -0.399 0.000 2.423 663 S HA 0.245 4.714 4.470 -0.001 0.000 0.317 663 S C -0.240 174.069 174.600 -0.484 0.000 1.065 663 S CA -0.699 57.020 58.200 -0.802 0.000 1.111 663 S CB 0.331 62.992 63.200 -0.899 0.000 0.968 663 S HN 0.514 nan 8.310 nan 0.000 0.474 664 E N 3.970 123.922 120.200 -0.414 0.000 2.159 664 E HA 0.116 4.466 4.350 -0.001 0.000 0.272 664 E C -0.360 176.132 176.600 -0.179 0.000 1.138 664 E CA -0.015 56.259 56.400 -0.210 0.000 0.915 664 E CB 0.573 30.177 29.700 -0.160 0.000 1.028 664 E HN 0.587 nan 8.360 nan 0.000 0.423 665 Q N 2.811 122.559 119.800 -0.087 0.000 2.788 665 Q HA 0.259 4.599 4.340 -0.001 0.000 0.261 665 Q C 0.622 176.621 176.000 -0.002 0.000 1.029 665 Q CA -0.162 55.604 55.803 -0.061 0.000 0.848 665 Q CB 0.234 28.946 28.738 -0.044 0.000 1.185 665 Q HN 0.571 nan 8.270 nan 0.000 0.482 666 I N -1.570 118.989 120.570 -0.018 0.000 3.736 666 I HA 0.267 4.436 4.170 -0.001 0.000 0.338 666 I C 0.452 176.541 176.117 -0.047 0.000 1.558 666 I CA -0.661 60.652 61.300 0.023 0.000 1.147 666 I CB 0.231 38.248 38.000 0.029 0.000 1.275 666 I HN -0.011 nan 8.210 nan 0.000 0.454 667 S N 0.438 116.101 115.700 -0.061 0.000 2.576 667 S HA 0.181 4.650 4.470 -0.001 0.000 0.272 667 S C 0.604 175.198 174.600 -0.011 0.000 1.352 667 S CA -0.359 57.818 58.200 -0.038 0.000 1.021 667 S CB 0.243 63.457 63.200 0.023 0.000 0.887 667 S HN 0.413 nan 8.310 nan 0.000 0.542 668 T N 2.278 116.858 114.554 0.042 0.000 2.871 668 T HA 0.372 4.721 4.350 -0.001 0.000 0.296 668 T C 0.710 175.427 174.700 0.028 0.000 0.998 668 T CA 0.172 62.306 62.100 0.056 0.000 1.162 668 T CB -0.164 68.812 68.868 0.180 0.000 0.947 668 T HN 1.003 nan 8.240 nan 0.000 0.536 669 A N 2.780 125.586 122.820 -0.023 0.000 2.580 669 A HA 0.444 4.764 4.320 -0.001 0.000 0.244 669 A C 1.676 179.259 177.584 -0.002 0.000 1.045 669 A CA 0.296 52.314 52.037 -0.031 0.000 0.761 669 A CB -0.947 18.020 19.000 -0.053 0.000 0.962 669 A HN 1.784 nan 8.150 nan 0.000 0.512 670 G N 1.415 110.214 108.800 -0.001 0.000 2.194 670 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.236 670 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.236 670 G C 0.972 175.873 174.900 0.001 0.000 0.987 670 G CA 1.041 46.142 45.100 0.001 0.000 0.635 670 G HN 1.925 nan 8.290 nan 0.000 0.520 671 T N -2.099 112.461 114.554 0.011 0.000 3.040 671 T HA 0.401 4.751 4.350 -0.001 0.000 0.252 671 T C 0.771 175.370 174.700 -0.168 0.000 1.064 671 T CA 1.197 63.250 62.100 -0.079 0.000 1.110 671 T CB 0.565 69.440 68.868 0.011 0.000 0.921 671 T HN 0.315 nan 8.240 nan 0.000 0.480 672 E N 1.186 121.403 120.200 0.028 0.000 2.046 672 E HA 0.677 5.027 4.350 -0.001 0.000 0.279 672 E C 0.996 177.579 176.600 -0.028 0.000 0.989 672 E CA -0.104 56.351 56.400 0.092 0.000 0.798 672 E CB 0.906 30.687 29.700 0.135 0.000 1.086 672 E HN 0.276 nan 8.360 nan 0.000 0.399 673 A N 3.321 126.062 122.820 -0.132 0.000 1.902 673 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 673 A C 1.882 179.390 177.584 -0.128 0.000 1.181 673 A CA 2.033 53.909 52.037 -0.268 0.000 0.623 673 A CB -0.147 18.425 19.000 -0.714 0.000 0.818 673 A HN 0.604 nan 8.150 nan 0.000 0.443 674 S N -3.682 111.975 115.700 -0.071 0.000 4.198 674 S HA 0.464 4.934 4.470 -0.001 0.000 0.202 674 S C 0.735 175.329 174.600 -0.011 0.000 1.124 674 S CA 1.457 59.648 58.200 -0.015 0.000 1.050 674 S CB -0.121 63.086 63.200 0.011 0.000 1.401 674 S HN 2.261 nan 8.310 nan 0.000 0.589 675 G N -0.209 108.590 108.800 -0.002 0.000 2.690 675 G HA2 0.050 4.009 3.960 -0.001 0.000 0.686 675 G HA3 0.050 4.009 3.960 -0.001 0.000 0.686 675 G C 0.059 174.952 174.900 -0.012 0.000 1.277 675 G CA 0.230 45.327 45.100 -0.005 0.000 0.799 675 G HN 0.872 nan 8.290 nan 0.000 0.613 676 T N -0.290 114.248 114.554 -0.026 0.000 3.151 676 T HA 0.286 4.635 4.350 -0.001 0.000 0.257 676 T C 2.242 176.873 174.700 -0.116 0.000 0.872 676 T CA 1.583 63.651 62.100 -0.054 0.000 0.873 676 T CB -0.424 68.424 68.868 -0.032 0.000 1.272 676 T HN 1.679 nan 8.240 nan 0.000 0.543 677 G N 2.656 111.412 108.800 -0.074 0.000 2.432 677 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.219 677 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.219 677 G C 1.461 176.438 174.900 0.129 0.000 1.135 677 G CA 1.367 46.437 45.100 -0.050 0.000 0.767 677 G HN 0.627 nan 8.290 nan 0.000 0.550 678 N N 1.197 119.945 118.700 0.080 0.000 2.104 678 N HA -0.132 4.607 4.740 -0.001 0.000 0.190 678 N C 1.960 177.499 175.510 0.049 0.000 1.024 678 N CA 1.578 54.673 53.050 0.076 0.000 0.853 678 N CB -0.680 37.798 38.487 -0.014 0.000 1.008 678 N HN 0.395 nan 8.380 nan 0.000 0.424 679 M N -0.216 119.351 119.600 -0.056 0.000 2.492 679 M HA 0.108 4.588 4.480 -0.001 0.000 0.262 679 M C 1.651 177.932 176.300 -0.031 0.000 1.090 679 M CA 0.970 56.222 55.300 -0.080 0.000 1.110 679 M CB 0.001 32.549 32.600 -0.087 0.000 1.407 679 M HN 0.080 nan 8.290 nan 0.000 0.470 680 K N -0.115 120.207 120.400 -0.129 0.000 2.167 680 K HA 0.015 4.335 4.320 -0.001 0.000 0.203 680 K C 1.507 178.037 176.600 -0.115 0.000 1.052 680 K CA 1.093 57.231 56.287 -0.247 0.000 0.956 680 K CB -0.026 32.075 32.500 -0.665 0.000 0.735 680 K HN 0.172 nan 8.250 nan 0.000 0.451 681 F N 1.035 120.923 119.950 -0.103 0.000 2.163 681 F HA -0.028 4.498 4.527 -0.001 0.000 0.297 681 F C 2.492 178.271 175.800 -0.034 0.000 1.094 681 F CA 0.952 58.914 58.000 -0.062 0.000 1.290 681 F CB -0.220 38.734 39.000 -0.076 0.000 1.017 681 F HN -0.053 nan 8.300 nan 0.000 0.483 682 M N -0.180 119.526 119.600 0.177 0.000 2.159 682 M HA -0.206 4.274 4.480 -0.001 0.000 0.263 682 M C 2.152 178.519 176.300 0.112 0.000 1.063 682 M CA 1.613 56.980 55.300 0.111 0.000 1.110 682 M CB -0.278 32.383 32.600 0.101 0.000 1.374 682 M HN 0.263 nan 8.290 nan 0.000 0.411 683 L N 0.072 121.363 121.223 0.114 0.000 2.201 683 L HA -0.151 4.188 4.340 -0.001 0.000 0.212 683 L C 1.008 177.935 176.870 0.095 0.000 1.105 683 L CA 1.092 56.002 54.840 0.116 0.000 0.775 683 L CB -0.382 41.754 42.059 0.127 0.000 0.913 683 L HN 0.422 nan 8.230 nan 0.000 0.440 684 N N -0.099 118.653 118.700 0.086 0.000 2.251 684 N HA 0.078 4.817 4.740 -0.001 0.000 0.217 684 N C 0.748 176.304 175.510 0.076 0.000 1.124 684 N CA 0.785 53.877 53.050 0.071 0.000 0.843 684 N CB 0.806 39.319 38.487 0.045 0.000 1.024 684 N HN 0.373 nan 8.380 nan 0.000 0.501 685 G N 0.689 109.535 108.800 0.078 0.000 2.171 685 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.238 685 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.238 685 G C -0.056 174.915 174.900 0.118 0.000 1.039 685 G CA 0.177 45.320 45.100 0.071 0.000 0.759 685 G HN 0.506 nan 8.290 nan 0.000 0.501 686 A N -0.438 122.457 122.820 0.126 0.000 2.337 686 A HA 0.903 5.222 4.320 -0.001 0.000 0.331 686 A C 0.281 177.863 177.584 -0.003 0.000 1.137 686 A CA -0.697 51.429 52.037 0.149 0.000 0.807 686 A CB 1.174 20.290 19.000 0.192 0.000 1.250 686 A HN 0.716 nan 8.150 nan 0.000 0.468 687 L N 0.799 121.997 121.223 -0.042 0.000 2.379 687 L HA 0.510 4.850 4.340 -0.001 0.000 0.269 687 L C 0.039 176.797 176.870 -0.186 0.000 1.084 687 L CA -0.433 54.309 54.840 -0.163 0.000 0.802 687 L CB 1.788 43.745 42.059 -0.169 0.000 1.175 687 L HN 0.714 nan 8.230 nan 0.000 0.448 688 T N 2.632 116.978 114.554 -0.347 0.000 2.797 688 T HA 0.478 4.827 4.350 -0.001 0.000 0.279 688 T C -0.445 174.124 174.700 -0.218 0.000 0.991 688 T CA -0.286 61.575 62.100 -0.398 0.000 0.979 688 T CB 1.855 70.321 68.868 -0.669 0.000 0.943 688 T HN 0.367 nan 8.240 nan 0.000 0.444 689 I N 2.837 123.353 120.570 -0.090 0.000 2.354 689 I HA 0.694 4.864 4.170 -0.001 0.000 0.286 689 I C 0.030 176.312 176.117 0.275 0.000 1.007 689 I CA 0.107 61.473 61.300 0.109 0.000 1.167 689 I CB 0.204 38.170 38.000 -0.055 0.000 1.320 689 I HN 0.813 nan 8.210 nan 0.000 0.458 690 G N 3.881 112.921 108.800 0.401 0.000 2.576 690 G HA2 0.401 4.361 3.960 -0.001 0.000 0.290 690 G HA3 0.401 4.361 3.960 -0.001 0.000 0.290 690 G C -0.752 174.066 174.900 -0.138 0.000 1.442 690 G CA -0.338 44.910 45.100 0.246 0.000 0.792 690 G HN 0.570 nan 8.290 nan 0.000 0.491 691 T N -1.346 112.979 114.554 -0.381 0.000 2.726 691 T HA 0.453 4.803 4.350 -0.001 0.000 0.294 691 T C 0.791 175.373 174.700 -0.195 0.000 1.013 691 T CA -0.445 61.374 62.100 -0.469 0.000 0.996 691 T CB 0.762 69.385 68.868 -0.408 0.000 1.016 691 T HN 0.259 nan 8.240 nan 0.000 0.529 692 M N 2.549 122.044 119.600 -0.174 0.000 3.396 692 M HA 0.359 4.839 4.480 -0.001 0.000 0.255 692 M C -0.473 175.775 176.300 -0.087 0.000 1.398 692 M CA -0.325 54.908 55.300 -0.111 0.000 1.554 692 M CB -1.477 31.064 32.600 -0.098 0.000 1.070 692 M HN 0.715 nan 8.290 nan 0.000 0.587 693 D N -0.029 120.327 120.400 -0.074 0.000 2.575 693 D HA 0.696 5.336 4.640 -0.001 0.000 0.236 693 D C 0.691 176.971 176.300 -0.032 0.000 1.075 693 D CA 0.730 54.703 54.000 -0.045 0.000 0.860 693 D CB 1.793 42.570 40.800 -0.038 0.000 1.475 693 D HN 0.616 nan 8.370 nan 0.000 0.474 694 G N 1.877 110.668 108.800 -0.015 0.000 2.566 694 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.280 694 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.280 694 G C 0.888 175.777 174.900 -0.019 0.000 1.225 694 G CA 0.811 45.906 45.100 -0.009 0.000 0.966 694 G HN 1.071 nan 8.290 nan 0.000 0.560 695 A N -0.261 122.541 122.820 -0.031 0.000 2.208 695 A HA 0.189 4.509 4.320 -0.001 0.000 0.209 695 A C 2.049 179.553 177.584 -0.134 0.000 1.161 695 A CA 1.599 53.605 52.037 -0.052 0.000 0.782 695 A CB -0.399 18.567 19.000 -0.058 0.000 0.816 695 A HN 0.627 nan 8.150 nan 0.000 0.477 696 N N 0.708 119.342 118.700 -0.110 0.000 2.137 696 N HA -0.163 4.576 4.740 -0.001 0.000 0.190 696 N C 1.623 176.968 175.510 -0.276 0.000 1.017 696 N CA 1.570 54.540 53.050 -0.134 0.000 0.859 696 N CB -0.693 37.784 38.487 -0.017 0.000 1.002 696 N HN 0.276 nan 8.380 nan 0.000 0.428 697 V N 1.514 121.322 119.914 -0.176 0.000 2.231 697 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 697 V C 2.071 178.057 176.094 -0.181 0.000 1.054 697 V CA 1.841 64.041 62.300 -0.167 0.000 1.015 697 V CB -0.528 31.243 31.823 -0.088 0.000 0.638 697 V HN 0.372 nan 8.190 nan 0.000 0.444 698 E N -0.756 119.391 120.200 -0.089 0.000 2.204 698 E HA -0.174 4.176 4.350 -0.001 0.000 0.194 698 E C 2.201 178.863 176.600 0.103 0.000 0.989 698 E CA 1.164 57.585 56.400 0.034 0.000 0.824 698 E CB -0.184 29.615 29.700 0.164 0.000 0.756 698 E HN 0.569 nan 8.360 nan 0.000 0.477 699 M N 0.370 119.882 119.600 -0.145 0.000 2.099 699 M HA -0.126 4.354 4.480 -0.001 0.000 0.262 699 M C 2.520 178.539 176.300 -0.468 0.000 1.067 699 M CA 1.449 56.595 55.300 -0.258 0.000 1.124 699 M CB -0.211 32.126 32.600 -0.439 0.000 1.353 699 M HN 0.116 nan 8.290 nan 0.000 0.410 700 A N -0.062 122.155 122.820 -1.005 0.000 1.972 700 A HA -0.206 4.113 4.320 -0.001 0.000 0.219 700 A C 1.992 179.384 177.584 -0.319 0.000 1.169 700 A CA 1.902 53.381 52.037 -0.929 0.000 0.635 700 A CB -0.748 17.752 19.000 -0.833 0.000 0.810 700 A HN 0.605 nan 8.150 nan 0.000 0.446 701 E N -0.749 119.326 120.200 -0.209 0.000 2.285 701 E HA -0.129 4.221 4.350 -0.001 0.000 0.194 701 E C 1.515 178.095 176.600 -0.033 0.000 0.997 701 E CA 0.776 57.122 56.400 -0.090 0.000 0.845 701 E CB 0.049 29.710 29.700 -0.066 0.000 0.782 701 E HN 0.564 nan 8.360 nan 0.000 0.491 702 E N 0.063 120.269 120.200 0.009 0.000 2.099 702 E HA 0.016 4.366 4.350 -0.001 0.000 0.191 702 E C 1.872 178.507 176.600 0.058 0.000 0.962 702 E CA 0.859 57.291 56.400 0.053 0.000 0.826 702 E CB -0.026 29.759 29.700 0.142 0.000 0.788 702 E HN 0.291 nan 8.360 nan 0.000 0.461 703 A N 0.876 123.743 122.820 0.079 0.000 2.014 703 A HA 0.257 4.577 4.320 -0.001 0.000 0.218 703 A C 1.125 178.739 177.584 0.050 0.000 1.163 703 A CA 1.287 53.382 52.037 0.097 0.000 0.652 703 A CB -0.255 18.869 19.000 0.206 0.000 0.808 703 A HN 0.265 nan 8.150 nan 0.000 0.449 704 G N -0.982 107.825 108.800 0.012 0.000 3.055 704 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.686 704 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.686 704 G C 0.067 174.969 174.900 0.003 0.000 1.087 704 G CA 0.086 45.183 45.100 -0.006 0.000 0.779 704 G HN 0.197 nan 8.290 nan 0.000 0.599 705 E N 0.694 120.880 120.200 -0.023 0.000 2.160 705 E HA -0.167 4.183 4.350 -0.001 0.000 0.195 705 E C 2.155 178.749 176.600 -0.011 0.000 0.991 705 E CA 1.765 58.159 56.400 -0.011 0.000 0.810 705 E CB 0.124 29.808 29.700 -0.027 0.000 0.742 705 E HN 0.729 nan 8.360 nan 0.000 0.466 706 E N 0.496 120.673 120.200 -0.038 0.000 2.204 706 E HA -0.124 4.225 4.350 -0.001 0.000 0.195 706 E C 1.098 177.611 176.600 -0.145 0.000 0.990 706 E CA 0.750 57.102 56.400 -0.080 0.000 0.821 706 E CB -0.027 29.636 29.700 -0.061 0.000 0.750 706 E HN 0.134 nan 8.360 nan 0.000 0.477 707 N N -0.554 118.096 118.700 -0.083 0.000 2.235 707 N HA 0.124 4.864 4.740 -0.001 0.000 0.209 707 N C -0.960 174.477 175.510 -0.121 0.000 1.122 707 N CA 0.087 53.067 53.050 -0.117 0.000 0.845 707 N CB 0.441 38.916 38.487 -0.020 0.000 1.004 707 N HN 0.040 nan 8.380 nan 0.000 0.499 708 F N -0.241 119.515 119.950 -0.325 0.000 2.569 708 F HA 0.377 4.904 4.527 -0.001 0.000 0.312 708 F C -0.792 174.836 175.800 -0.287 0.000 1.109 708 F CA -1.065 56.806 58.000 -0.216 0.000 0.919 708 F CB 1.203 40.141 39.000 -0.104 0.000 1.211 708 F HN -0.205 nan 8.300 nan 0.000 0.446 709 F N 6.164 126.058 119.950 -0.094 0.000 2.573 709 F HA 0.308 4.835 4.527 -0.001 0.000 0.349 709 F C 0.142 176.065 175.800 0.205 0.000 1.213 709 F CA -0.498 57.529 58.000 0.045 0.000 1.300 709 F CB -0.396 38.587 39.000 -0.028 0.000 1.661 709 F HN 0.055 nan 8.300 nan 0.000 0.616 710 I N 3.049 123.824 120.570 0.342 0.000 2.692 710 I HA 0.113 4.283 4.170 -0.001 0.000 0.284 710 I C 0.147 176.446 176.117 0.304 0.000 1.159 710 I CA 0.082 61.542 61.300 0.267 0.000 1.423 710 I CB -0.021 38.062 38.000 0.138 0.000 1.380 710 I HN 0.348 nan 8.210 nan 0.000 0.580 711 F N 2.069 122.089 119.950 0.118 0.000 2.923 711 F HA 0.822 5.348 4.527 -0.001 0.000 0.323 711 F C 0.176 176.024 175.800 0.079 0.000 1.189 711 F CA -0.442 57.617 58.000 0.099 0.000 0.930 711 F CB 0.539 39.609 39.000 0.117 0.000 1.414 711 F HN 0.789 nan 8.300 nan 0.000 0.496 712 G N 0.555 109.392 108.800 0.062 0.000 2.750 712 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.228 712 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.228 712 G C -0.763 174.106 174.900 -0.053 0.000 1.367 712 G CA -0.328 44.768 45.100 -0.006 0.000 0.871 712 G HN 1.055 nan 8.290 nan 0.000 0.560 713 M N 0.128 119.708 119.600 -0.033 0.000 2.239 713 M HA 0.427 4.907 4.480 -0.001 0.000 0.348 713 M C 0.990 177.256 176.300 -0.057 0.000 1.239 713 M CA 0.264 55.554 55.300 -0.016 0.000 1.114 713 M CB 0.417 33.017 32.600 -0.001 0.000 1.641 713 M HN 0.623 nan 8.290 nan 0.000 0.453 714 R N 1.480 121.960 120.500 -0.034 0.000 2.607 714 R HA 0.349 4.689 4.340 -0.001 0.000 0.261 714 R C 0.877 177.159 176.300 -0.030 0.000 1.051 714 R CA -0.532 55.543 56.100 -0.042 0.000 1.110 714 R CB 1.007 31.289 30.300 -0.030 0.000 1.158 714 R HN 0.648 nan 8.270 nan 0.000 0.543 715 V N 1.273 121.169 119.914 -0.030 0.000 2.568 715 V HA -0.223 3.897 4.120 -0.001 0.000 0.253 715 V C 2.199 178.283 176.094 -0.017 0.000 1.072 715 V CA 1.835 64.121 62.300 -0.024 0.000 1.084 715 V CB -0.652 31.155 31.823 -0.026 0.000 0.676 715 V HN 0.756 nan 8.190 nan 0.000 0.469 716 E N 0.956 121.148 120.200 -0.014 0.000 2.031 716 E HA -0.258 4.091 4.350 -0.001 0.000 0.193 716 E C 1.843 178.446 176.600 0.005 0.000 0.994 716 E CA 1.849 58.246 56.400 -0.006 0.000 0.800 716 E CB -0.283 29.413 29.700 -0.006 0.000 0.752 716 E HN 0.623 nan 8.360 nan 0.000 0.447 717 D N 0.297 120.703 120.400 0.009 0.000 2.178 717 D HA -0.107 4.533 4.640 -0.001 0.000 0.202 717 D C 2.146 178.462 176.300 0.026 0.000 0.974 717 D CA 0.797 54.813 54.000 0.025 0.000 0.841 717 D CB 0.073 40.893 40.800 0.034 0.000 0.953 717 D HN 0.104 nan 8.370 nan 0.000 0.478 718 V N 2.003 121.920 119.914 0.005 0.000 2.295 718 V HA -0.235 3.885 4.120 -0.001 0.000 0.246 718 V C 1.958 178.050 176.094 -0.004 0.000 1.049 718 V CA 1.812 64.106 62.300 -0.011 0.000 1.024 718 V CB -0.400 31.408 31.823 -0.025 0.000 0.648 718 V HN 0.051 nan 8.190 nan 0.000 0.447 719 D N -0.111 120.287 120.400 -0.002 0.000 2.097 719 D HA -0.137 4.503 4.640 -0.001 0.000 0.195 719 D C 2.369 178.679 176.300 0.016 0.000 0.989 719 D CA 0.982 54.982 54.000 0.000 0.000 0.827 719 D CB -0.374 40.423 40.800 -0.005 0.000 0.966 719 D HN 0.324 nan 8.370 nan 0.000 0.456 720 R N 0.322 120.838 120.500 0.025 0.000 2.091 720 R HA -0.091 4.249 4.340 -0.001 0.000 0.238 720 R C 2.215 178.551 176.300 0.060 0.000 1.136 720 R CA 0.335 56.459 56.100 0.039 0.000 0.959 720 R CB -1.106 29.221 30.300 0.046 0.000 0.856 720 R HN 0.229 nan 8.270 nan 0.000 0.437 721 L N 2.006 123.272 121.223 0.071 0.000 2.093 721 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 721 L C 1.450 178.385 176.870 0.107 0.000 1.085 721 L CA 1.762 56.672 54.840 0.118 0.000 0.755 721 L CB -0.879 41.257 42.059 0.128 0.000 0.904 721 L HN 0.044 nan 8.230 nan 0.000 0.435 722 D N -0.869 119.565 120.400 0.056 0.000 2.117 722 D HA -0.197 4.442 4.640 -0.001 0.000 0.197 722 D C 2.163 178.491 176.300 0.047 0.000 0.987 722 D CA 1.081 55.107 54.000 0.042 0.000 0.829 722 D CB 0.079 40.883 40.800 0.007 0.000 0.961 722 D HN 0.456 nan 8.370 nan 0.000 0.460 723 Q N -0.263 119.562 119.800 0.041 0.000 2.311 723 Q HA -0.027 4.313 4.340 -0.001 0.000 0.203 723 Q C 2.072 178.099 176.000 0.045 0.000 0.954 723 Q CA 0.566 56.391 55.803 0.035 0.000 0.885 723 Q CB 0.189 28.943 28.738 0.027 0.000 0.963 723 Q HN 0.338 nan 8.270 nan 0.000 0.471 724 R N -0.595 119.941 120.500 0.061 0.000 2.189 724 R HA 0.224 4.564 4.340 -0.001 0.000 0.203 724 R C 0.224 176.564 176.300 0.067 0.000 1.012 724 R CA 0.796 56.931 56.100 0.059 0.000 1.015 724 R CB 0.299 30.638 30.300 0.065 0.000 0.938 724 R HN 0.016 nan 8.270 nan 0.000 0.472 725 G N 0.875 109.731 108.800 0.094 0.000 3.225 725 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.686 725 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.686 725 G C -1.558 173.444 174.900 0.170 0.000 1.105 725 G CA -0.410 44.756 45.100 0.111 0.000 0.831 725 G HN 0.310 nan 8.290 nan 0.000 0.578 726 Y N 3.494 123.832 120.300 0.064 0.000 2.436 726 Y HA 0.540 5.090 4.550 -0.001 0.000 0.343 726 Y C 0.505 176.469 175.900 0.106 0.000 1.008 726 Y CA -0.627 57.534 58.100 0.101 0.000 1.241 726 Y CB 0.744 39.247 38.460 0.071 0.000 1.153 726 Y HN 0.602 nan 8.280 nan 0.000 0.521 727 N N 4.778 123.327 118.700 -0.252 0.000 2.524 727 N HA 0.406 5.146 4.740 -0.001 0.000 0.261 727 N C 0.168 175.443 175.510 -0.392 0.000 0.998 727 N CA 0.108 52.981 53.050 -0.296 0.000 0.915 727 N CB 1.281 39.701 38.487 -0.111 0.000 1.187 727 N HN 0.830 nan 8.380 nan 0.000 0.507 728 A N 2.867 125.379 122.820 -0.513 0.000 2.015 728 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 728 A C 1.963 179.619 177.584 0.120 0.000 1.163 728 A CA 1.166 53.092 52.037 -0.185 0.000 0.646 728 A CB -0.299 18.529 19.000 -0.287 0.000 0.806 728 A HN 0.764 nan 8.150 nan 0.000 0.448 729 Q N 0.737 120.528 119.800 -0.015 0.000 2.170 729 Q HA -0.200 4.140 4.340 -0.001 0.000 0.203 729 Q C 1.833 177.878 176.000 0.074 0.000 0.976 729 Q CA 2.059 57.883 55.803 0.035 0.000 0.858 729 Q CB -0.358 28.378 28.738 -0.004 0.000 0.907 729 Q HN 0.874 nan 8.270 nan 0.000 0.433 730 E N -1.904 118.277 120.200 -0.031 0.000 2.358 730 E HA -0.176 4.173 4.350 -0.001 0.000 0.195 730 E C 1.091 177.576 176.600 -0.193 0.000 1.010 730 E CA 0.694 57.020 56.400 -0.123 0.000 0.856 730 E CB -0.290 29.280 29.700 -0.216 0.000 0.795 730 E HN 0.462 nan 8.360 nan 0.000 0.504 731 Y N -0.378 119.961 120.300 0.065 0.000 2.269 731 Y HA -0.089 4.461 4.550 -0.001 0.000 0.294 731 Y C 2.160 178.061 175.900 0.001 0.000 1.120 731 Y CA 1.117 59.255 58.100 0.064 0.000 1.159 731 Y CB -0.657 37.894 38.460 0.153 0.000 1.024 731 Y HN 0.088 nan 8.280 nan 0.000 0.532 732 Y N 1.589 121.895 120.300 0.010 0.000 2.102 732 Y HA -0.341 4.209 4.550 -0.001 0.000 0.280 732 Y C 1.873 177.720 175.900 -0.088 0.000 1.178 732 Y CA 2.129 60.158 58.100 -0.118 0.000 1.146 732 Y CB -0.428 38.013 38.460 -0.033 0.000 0.968 732 Y HN 0.127 nan 8.280 nan 0.000 0.504 733 D N -0.344 120.116 120.400 0.099 0.000 2.149 733 D HA -0.148 4.492 4.640 -0.001 0.000 0.201 733 D C 2.058 178.315 176.300 -0.072 0.000 0.972 733 D CA 1.772 55.766 54.000 -0.011 0.000 0.835 733 D CB -0.389 40.436 40.800 0.042 0.000 0.966 733 D HN 0.611 nan 8.370 nan 0.000 0.476 734 R N 0.341 120.808 120.500 -0.054 0.000 2.317 734 R HA 0.195 4.535 4.340 -0.001 0.000 0.208 734 R C 0.230 176.503 176.300 -0.044 0.000 0.914 734 R CA 0.177 56.247 56.100 -0.050 0.000 1.060 734 R CB 0.034 30.307 30.300 -0.044 0.000 1.015 734 R HN 0.054 nan 8.270 nan 0.000 0.498 735 I N 1.926 122.448 120.570 -0.081 0.000 2.495 735 I HA 0.289 4.458 4.170 -0.001 0.000 0.277 735 I C -2.072 173.947 176.117 -0.164 0.000 1.045 735 I CA -2.807 58.448 61.300 -0.074 0.000 1.135 735 I CB 2.342 40.328 38.000 -0.024 0.000 1.241 735 I HN -0.132 nan 8.210 nan 0.000 0.469 736 P HA -0.136 nan 4.420 nan 0.000 0.216 736 P C 0.934 178.139 177.300 -0.158 0.000 1.150 736 P CA 1.362 64.360 63.100 -0.170 0.000 0.837 736 P CB 0.338 31.968 31.700 -0.115 0.000 0.786 737 E N -0.649 119.497 120.200 -0.089 0.000 2.152 737 E HA -0.104 4.246 4.350 -0.001 0.000 0.192 737 E C 1.873 178.388 176.600 -0.143 0.000 0.983 737 E CA 0.515 56.879 56.400 -0.059 0.000 0.818 737 E CB -1.095 28.638 29.700 0.055 0.000 0.758 737 E HN 0.133 nan 8.360 nan 0.000 0.467 738 L N 0.937 121.987 121.223 -0.288 0.000 2.093 738 L HA -0.084 4.256 4.340 -0.001 0.000 0.208 738 L C 2.252 178.911 176.870 -0.352 0.000 1.085 738 L CA 1.630 56.158 54.840 -0.519 0.000 0.755 738 L CB -0.121 41.435 42.059 -0.837 0.000 0.904 738 L HN -0.044 nan 8.230 nan 0.000 0.435 739 R N -0.869 119.386 120.500 -0.408 0.000 2.103 739 R HA -0.240 4.099 4.340 -0.001 0.000 0.242 739 R C 2.379 178.557 176.300 -0.204 0.000 1.142 739 R CA 2.064 57.830 56.100 -0.557 0.000 0.960 739 R CB -0.270 29.632 30.300 -0.664 0.000 0.858 739 R HN 0.584 nan 8.270 nan 0.000 0.439 740 Q N 0.166 119.869 119.800 -0.163 0.000 2.119 740 Q HA -0.124 4.216 4.340 -0.001 0.000 0.201 740 Q C 2.045 178.027 176.000 -0.031 0.000 0.972 740 Q CA 1.253 57.000 55.803 -0.093 0.000 0.847 740 Q CB 0.068 28.744 28.738 -0.103 0.000 0.903 740 Q HN 0.406 nan 8.270 nan 0.000 0.433 741 I N 0.406 120.969 120.570 -0.012 0.000 2.233 741 I HA -0.249 3.920 4.170 -0.001 0.000 0.243 741 I C 2.051 178.248 176.117 0.133 0.000 1.093 741 I CA 0.449 61.794 61.300 0.074 0.000 1.380 741 I CB -0.175 37.847 38.000 0.037 0.000 1.067 741 I HN 0.249 nan 8.210 nan 0.000 0.413 742 I N 0.667 121.312 120.570 0.124 0.000 2.286 742 I HA -0.238 3.932 4.170 -0.001 0.000 0.248 742 I C 2.533 178.771 176.117 0.202 0.000 1.115 742 I CA 1.567 62.988 61.300 0.202 0.000 1.392 742 I CB -1.190 36.995 38.000 0.307 0.000 1.065 742 I HN 0.278 nan 8.210 nan 0.000 0.418 743 E N 0.499 120.804 120.200 0.175 0.000 2.152 743 E HA -0.164 4.186 4.350 -0.001 0.000 0.192 743 E C 2.172 178.856 176.600 0.141 0.000 0.983 743 E CA 0.712 57.200 56.400 0.148 0.000 0.818 743 E CB -0.152 29.610 29.700 0.105 0.000 0.758 743 E HN 0.569 nan 8.360 nan 0.000 0.467 744 Q N 0.077 119.952 119.800 0.125 0.000 2.124 744 Q HA -0.083 4.257 4.340 -0.001 0.000 0.202 744 Q C 2.340 178.545 176.000 0.342 0.000 0.977 744 Q CA 0.915 56.811 55.803 0.155 0.000 0.850 744 Q CB -0.044 28.706 28.738 0.021 0.000 0.901 744 Q HN 0.258 nan 8.270 nan 0.000 0.429 745 L N -0.261 121.178 121.223 0.360 0.000 2.072 745 L HA -0.127 4.212 4.340 -0.001 0.000 0.205 745 L C 2.395 179.461 176.870 0.327 0.000 1.079 745 L CA 0.777 55.866 54.840 0.415 0.000 0.752 745 L CB -0.246 41.990 42.059 0.295 0.000 0.906 745 L HN 0.141 nan 8.230 nan 0.000 0.436 746 S N -0.009 115.830 115.700 0.232 0.000 2.356 746 S HA -0.164 4.306 4.470 -0.001 0.000 0.223 746 S C 2.023 176.714 174.600 0.152 0.000 1.032 746 S CA 1.633 59.939 58.200 0.177 0.000 1.005 746 S CB -0.304 62.982 63.200 0.143 0.000 0.867 746 S HN 0.581 nan 8.310 nan 0.000 0.449 747 S N 0.549 116.340 115.700 0.151 0.000 2.561 747 S HA 0.307 4.776 4.470 -0.001 0.000 0.225 747 S C 1.444 176.111 174.600 0.111 0.000 0.977 747 S CA 0.616 58.888 58.200 0.119 0.000 0.926 747 S CB -0.271 62.998 63.200 0.116 0.000 0.769 747 S HN 0.870 nan 8.310 nan 0.000 0.533 748 G N 0.693 109.578 108.800 0.142 0.000 2.132 748 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.228 748 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.228 748 G C 0.180 175.115 174.900 0.059 0.000 1.000 748 G CA 0.138 45.295 45.100 0.095 0.000 0.693 748 G HN 0.517 nan 8.290 nan 0.000 0.515 749 F N 0.349 120.271 119.950 -0.046 0.000 2.161 749 F HA 0.123 4.650 4.527 -0.001 0.000 0.300 749 F C 1.963 177.552 175.800 -0.353 0.000 1.089 749 F CA 2.210 60.059 58.000 -0.252 0.000 1.282 749 F CB -0.132 38.621 39.000 -0.412 0.000 1.010 749 F HN 0.181 nan 8.300 nan 0.000 0.485 750 F N -0.593 119.383 119.950 0.044 0.000 2.746 750 F HA 0.161 4.687 4.527 -0.001 0.000 0.297 750 F C 1.609 177.445 175.800 0.060 0.000 1.113 750 F CA 0.549 58.559 58.000 0.017 0.000 1.367 750 F CB -0.368 38.750 39.000 0.196 0.000 1.111 750 F HN -0.003 nan 8.300 nan 0.000 0.590 751 S N -0.296 115.490 115.700 0.143 0.000 2.499 751 S HA 0.242 4.712 4.470 -0.001 0.000 0.238 751 S C -1.665 172.895 174.600 -0.067 0.000 1.205 751 S CA -0.979 57.208 58.200 -0.021 0.000 1.203 751 S CB -0.120 62.923 63.200 -0.262 0.000 0.954 751 S HN -0.013 nan 8.310 nan 0.000 0.484 752 P HA -0.205 nan 4.420 nan 0.000 0.217 752 P C 1.154 178.420 177.300 -0.057 0.000 1.148 752 P CA 1.267 64.315 63.100 -0.087 0.000 0.834 752 P CB 0.212 31.835 31.700 -0.129 0.000 0.783 753 K N -0.474 119.894 120.400 -0.052 0.000 2.148 753 K HA -0.070 4.249 4.320 -0.001 0.000 0.204 753 K C 0.882 177.463 176.600 -0.031 0.000 1.050 753 K CA 1.149 57.415 56.287 -0.035 0.000 0.942 753 K CB -0.096 32.388 32.500 -0.026 0.000 0.724 753 K HN 0.216 nan 8.250 nan 0.000 0.446 754 Q N -0.944 118.828 119.800 -0.047 0.000 2.932 754 Q HA 0.218 4.558 4.340 -0.001 0.000 0.248 754 Q C -2.317 173.634 176.000 -0.081 0.000 0.982 754 Q CA -1.496 54.276 55.803 -0.051 0.000 0.730 754 Q CB 1.781 30.492 28.738 -0.045 0.000 1.249 754 Q HN -0.045 nan 8.270 nan 0.000 0.476 755 P HA -0.217 nan 4.420 nan 0.000 0.216 755 P C -0.040 177.247 177.300 -0.022 0.000 1.153 755 P CA 1.462 64.547 63.100 -0.025 0.000 0.858 755 P CB 0.192 31.894 31.700 0.003 0.000 0.789 756 D N -1.786 118.599 120.400 -0.025 0.000 2.722 756 D HA 0.037 4.677 4.640 -0.001 0.000 0.239 756 D C 1.231 177.500 176.300 -0.051 0.000 1.249 756 D CA -0.363 53.636 54.000 -0.000 0.000 0.830 756 D CB -0.834 39.985 40.800 0.031 0.000 1.025 756 D HN -0.055 nan 8.370 nan 0.000 0.486 757 L N -0.418 120.675 121.223 -0.216 0.000 2.083 757 L HA 0.030 4.370 4.340 -0.001 0.000 0.209 757 L C 0.762 177.455 176.870 -0.295 0.000 1.083 757 L CA 1.624 56.253 54.840 -0.352 0.000 0.752 757 L CB -0.480 41.157 42.059 -0.703 0.000 0.899 757 L HN 0.070 nan 8.230 nan 0.000 0.433 758 F N -0.625 119.378 119.950 0.087 0.000 2.664 758 F HA 0.166 4.692 4.527 -0.001 0.000 0.301 758 F C 1.925 177.773 175.800 0.081 0.000 1.126 758 F CA -0.565 57.478 58.000 0.073 0.000 1.373 758 F CB -1.021 38.020 39.000 0.068 0.000 1.042 758 F HN -0.011 nan 8.300 nan 0.000 0.535 759 K N 1.210 121.724 120.400 0.189 0.000 2.066 759 K HA -0.259 4.061 4.320 -0.001 0.000 0.221 759 K C 1.483 178.181 176.600 0.164 0.000 1.056 759 K CA 2.320 58.697 56.287 0.150 0.000 0.950 759 K CB -0.562 32.009 32.500 0.119 0.000 0.726 759 K HN 0.327 nan 8.250 nan 0.000 0.456 760 D N -0.027 120.487 120.400 0.190 0.000 2.097 760 D HA -0.147 4.493 4.640 -0.001 0.000 0.195 760 D C 2.220 178.598 176.300 0.131 0.000 0.989 760 D CA 1.278 55.394 54.000 0.193 0.000 0.827 760 D CB -0.196 40.761 40.800 0.262 0.000 0.966 760 D HN 0.296 nan 8.370 nan 0.000 0.456 761 I N 1.166 121.810 120.570 0.124 0.000 2.202 761 I HA -0.212 3.958 4.170 -0.001 0.000 0.242 761 I C 2.660 178.785 176.117 0.012 0.000 1.091 761 I CA 0.618 61.942 61.300 0.041 0.000 1.368 761 I CB -0.313 37.693 38.000 0.009 0.000 1.058 761 I HN -0.140 nan 8.210 nan 0.000 0.410 762 V N 1.436 121.393 119.914 0.071 0.000 2.287 762 V HA -0.297 3.823 4.120 -0.001 0.000 0.248 762 V C 2.159 178.242 176.094 -0.019 0.000 1.053 762 V CA 2.045 64.376 62.300 0.050 0.000 1.027 762 V CB -0.863 31.026 31.823 0.111 0.000 0.646 762 V HN 0.472 nan 8.190 nan 0.000 0.447 763 N N -0.506 118.217 118.700 0.038 0.000 2.244 763 N HA -0.114 4.625 4.740 -0.001 0.000 0.183 763 N C 1.780 177.176 175.510 -0.189 0.000 1.016 763 N CA 1.296 54.396 53.050 0.084 0.000 0.866 763 N CB -0.314 38.298 38.487 0.209 0.000 0.980 763 N HN 0.394 nan 8.380 nan 0.000 0.430 764 M N 0.369 119.781 119.600 -0.313 0.000 2.175 764 M HA -0.066 4.413 4.480 -0.001 0.000 0.264 764 M C 1.456 177.480 176.300 -0.460 0.000 1.063 764 M CA 1.000 55.899 55.300 -0.668 0.000 1.119 764 M CB -0.240 32.218 32.600 -0.237 0.000 1.377 764 M HN -0.024 nan 8.290 nan 0.000 0.415 765 L N 0.784 121.801 121.223 -0.344 0.000 2.027 765 L HA -0.132 4.208 4.340 -0.001 0.000 0.206 765 L C 2.356 178.862 176.870 -0.607 0.000 1.074 765 L CA 1.587 56.136 54.840 -0.485 0.000 0.745 765 L CB -0.949 40.858 42.059 -0.421 0.000 0.898 765 L HN 0.293 nan 8.230 nan 0.000 0.433 766 M N -1.875 117.428 119.600 -0.496 0.000 2.419 766 M HA -0.080 4.400 4.480 -0.001 0.000 0.264 766 M C 1.643 177.469 176.300 -0.791 0.000 1.082 766 M CA 1.310 56.245 55.300 -0.608 0.000 1.119 766 M CB -0.787 31.371 32.600 -0.736 0.000 1.398 766 M HN 0.332 nan 8.290 nan 0.000 0.453 767 H N -1.894 117.064 119.070 -0.187 0.000 3.067 767 H HA 0.186 4.742 4.556 -0.001 0.000 0.241 767 H C 0.085 175.434 175.328 0.035 0.000 0.961 767 H CA 0.749 56.757 56.048 -0.066 0.000 1.123 767 H CB 0.430 30.215 29.762 0.040 0.000 1.448 767 H HN 0.563 nan 8.280 nan 0.000 0.457 768 H N -1.516 117.610 119.070 0.092 0.000 3.229 768 H HA 0.239 4.795 4.556 -0.001 0.000 0.211 768 H C -1.333 174.014 175.328 0.032 0.000 1.364 768 H CA -0.648 55.444 56.048 0.074 0.000 1.270 768 H CB -0.415 29.393 29.762 0.077 0.000 2.309 768 H HN -0.102 nan 8.280 nan 0.000 0.520 769 D N 1.198 121.606 120.400 0.014 0.000 2.339 769 D HA 0.172 4.811 4.640 -0.001 0.000 0.241 769 D C 0.815 177.052 176.300 -0.105 0.000 1.183 769 D CA -0.481 53.499 54.000 -0.033 0.000 0.859 769 D CB 0.998 41.749 40.800 -0.082 0.000 1.067 769 D HN 0.510 nan 8.370 nan 0.000 0.484 770 R N 2.446 122.794 120.500 -0.255 0.000 2.240 770 R HA 0.077 4.417 4.340 -0.001 0.000 0.203 770 R C 0.598 176.387 176.300 -0.852 0.000 1.011 770 R CA 0.628 56.366 56.100 -0.603 0.000 1.007 770 R CB 0.201 29.947 30.300 -0.924 0.000 0.911 770 R HN 0.405 nan 8.270 nan 0.000 0.468 771 F N 0.664 120.564 119.950 -0.084 0.000 2.639 771 F HA 0.274 4.800 4.527 -0.001 0.000 0.302 771 F C -0.050 175.637 175.800 -0.189 0.000 1.097 771 F CA -0.751 57.194 58.000 -0.092 0.000 1.294 771 F CB 0.135 39.140 39.000 0.009 0.000 1.027 771 F HN -0.267 nan 8.300 nan 0.000 0.550 772 K N -0.106 120.117 120.400 -0.295 0.000 3.730 772 K HA -0.177 4.142 4.320 -0.001 0.000 0.276 772 K C 0.993 177.491 176.600 -0.169 0.000 0.904 772 K CA 0.050 56.023 56.287 -0.523 0.000 0.741 772 K CB -1.482 30.612 32.500 -0.677 0.000 1.542 772 K HN 0.194 nan 8.250 nan 0.000 0.446 773 V N 0.345 120.224 119.914 -0.058 0.000 2.237 773 V HA -0.265 3.854 4.120 -0.001 0.000 0.245 773 V C 1.979 178.204 176.094 0.218 0.000 1.046 773 V CA 2.056 64.392 62.300 0.060 0.000 1.007 773 V CB -0.428 31.416 31.823 0.035 0.000 0.638 773 V HN 0.456 nan 8.190 nan 0.000 0.445 774 F N 0.964 120.924 119.950 0.016 0.000 2.202 774 F HA -0.149 4.378 4.527 -0.001 0.000 0.301 774 F C 2.478 178.077 175.800 -0.335 0.000 1.082 774 F CA 0.877 58.833 58.000 -0.074 0.000 1.313 774 F CB -1.645 37.327 39.000 -0.047 0.000 1.024 774 F HN 0.159 nan 8.300 nan 0.000 0.495 775 A N -0.464 122.211 122.820 -0.242 0.000 1.978 775 A HA -0.184 4.136 4.320 -0.001 0.000 0.220 775 A C 1.806 179.364 177.584 -0.044 0.000 1.170 775 A CA 2.107 53.897 52.037 -0.412 0.000 0.636 775 A CB -0.540 18.366 19.000 -0.157 0.000 0.810 775 A HN 0.240 nan 8.150 nan 0.000 0.448 776 D N -3.117 117.330 120.400 0.079 0.000 2.407 776 D HA 0.090 4.729 4.640 -0.001 0.000 0.208 776 D C 1.266 177.726 176.300 0.266 0.000 1.083 776 D CA 0.023 54.141 54.000 0.196 0.000 0.844 776 D CB -0.146 40.774 40.800 0.200 0.000 0.967 776 D HN 0.534 nan 8.370 nan 0.000 0.506 777 Y N 2.043 122.419 120.300 0.127 0.000 2.053 777 Y HA -0.250 4.300 4.550 -0.001 0.000 0.277 777 Y C 2.120 178.117 175.900 0.161 0.000 1.159 777 Y CA 2.059 60.252 58.100 0.156 0.000 1.125 777 Y CB 0.062 38.592 38.460 0.115 0.000 0.969 777 Y HN -0.087 nan 8.280 nan 0.000 0.492 778 E N -0.196 120.122 120.200 0.197 0.000 2.077 778 E HA -0.239 4.111 4.350 -0.001 0.000 0.193 778 E C 2.199 178.798 176.600 -0.002 0.000 0.989 778 E CA 1.372 57.799 56.400 0.046 0.000 0.800 778 E CB -0.141 29.674 29.700 0.191 0.000 0.746 778 E HN 0.625 nan 8.360 nan 0.000 0.452 779 E N -0.519 119.747 120.200 0.109 0.000 2.150 779 E HA -0.198 4.151 4.350 -0.001 0.000 0.193 779 E C 1.758 178.372 176.600 0.023 0.000 0.985 779 E CA 0.631 57.111 56.400 0.132 0.000 0.814 779 E CB -0.056 29.809 29.700 0.274 0.000 0.752 779 E HN 0.286 nan 8.360 nan 0.000 0.466 780 Y N 1.038 121.184 120.300 -0.257 0.000 2.089 780 Y HA -0.225 4.325 4.550 -0.001 0.000 0.282 780 Y C 2.280 177.843 175.900 -0.562 0.000 1.139 780 Y CA 1.653 59.317 58.100 -0.727 0.000 1.123 780 Y CB -0.703 37.394 38.460 -0.605 0.000 0.980 780 Y HN -0.044 nan 8.280 nan 0.000 0.493 781 V N -0.180 119.430 119.914 -0.507 0.000 2.759 781 V HA -0.132 3.988 4.120 -0.001 0.000 0.256 781 V C 1.920 177.826 176.094 -0.313 0.000 1.080 781 V CA 1.822 63.849 62.300 -0.455 0.000 1.101 781 V CB -0.475 31.130 31.823 -0.363 0.000 0.698 781 V HN 0.251 nan 8.190 nan 0.000 0.477 782 K N 0.055 120.315 120.400 -0.234 0.000 2.062 782 K HA -0.004 4.316 4.320 -0.001 0.000 0.205 782 K C 2.305 178.816 176.600 -0.150 0.000 1.051 782 K CA 1.547 57.753 56.287 -0.134 0.000 0.941 782 K CB -1.520 30.950 32.500 -0.050 0.000 0.719 782 K HN 0.618 nan 8.250 nan 0.000 0.440 783 C N 1.889 121.069 119.300 -0.200 0.000 2.425 783 C HA -0.076 4.384 4.460 -0.001 0.000 0.277 783 C C 2.644 177.458 174.990 -0.293 0.000 1.280 783 C CA 0.782 59.710 59.018 -0.150 0.000 1.744 783 C CB -0.504 27.142 27.740 -0.158 0.000 1.989 783 C HN 0.409 nan 8.230 nan 0.000 0.491 784 Q N 0.385 119.879 119.800 -0.509 0.000 2.119 784 Q HA -0.149 4.190 4.340 -0.001 0.000 0.201 784 Q C 2.029 177.842 176.000 -0.312 0.000 0.972 784 Q CA 1.497 56.969 55.803 -0.552 0.000 0.847 784 Q CB -0.443 27.803 28.738 -0.820 0.000 0.903 784 Q HN 0.744 nan 8.270 nan 0.000 0.433 785 E N 0.253 120.327 120.200 -0.210 0.000 2.110 785 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 785 E C 2.052 178.609 176.600 -0.073 0.000 0.988 785 E CA 0.646 56.975 56.400 -0.119 0.000 0.804 785 E CB 0.033 29.680 29.700 -0.089 0.000 0.745 785 E HN 0.247 nan 8.360 nan 0.000 0.458 786 R N 0.235 120.707 120.500 -0.048 0.000 2.115 786 R HA -0.090 4.250 4.340 -0.001 0.000 0.230 786 R C 2.363 178.684 176.300 0.035 0.000 1.111 786 R CA 0.823 56.960 56.100 0.061 0.000 0.976 786 R CB -0.240 30.169 30.300 0.182 0.000 0.870 786 R HN 0.090 nan 8.270 nan 0.000 0.445 787 V N 0.442 120.204 119.914 -0.252 0.000 2.270 787 V HA -0.227 3.893 4.120 -0.001 0.000 0.245 787 V C 2.240 178.279 176.094 -0.092 0.000 1.043 787 V CA 1.869 63.893 62.300 -0.461 0.000 1.014 787 V CB -0.421 30.991 31.823 -0.684 0.000 0.645 787 V HN 0.266 nan 8.190 nan 0.000 0.447 788 S N -0.006 115.627 115.700 -0.113 0.000 2.374 788 S HA -0.237 4.233 4.470 -0.001 0.000 0.227 788 S C 2.188 176.829 174.600 0.067 0.000 1.037 788 S CA 1.573 59.749 58.200 -0.040 0.000 1.024 788 S CB -0.512 62.631 63.200 -0.096 0.000 0.861 788 S HN 0.658 nan 8.310 nan 0.000 0.456 789 A N 0.903 123.766 122.820 0.073 0.000 1.902 789 A HA -0.051 4.269 4.320 -0.001 0.000 0.217 789 A C 2.092 179.786 177.584 0.183 0.000 1.181 789 A CA 1.364 53.468 52.037 0.112 0.000 0.623 789 A CB -0.658 18.401 19.000 0.100 0.000 0.818 789 A HN 0.432 nan 8.150 nan 0.000 0.443 790 L N -2.031 119.359 121.223 0.278 0.000 2.141 790 L HA -0.073 4.267 4.340 -0.001 0.000 0.209 790 L C 2.219 179.389 176.870 0.499 0.000 1.094 790 L CA 1.745 56.837 54.840 0.420 0.000 0.763 790 L CB -0.773 41.630 42.059 0.574 0.000 0.908 790 L HN 0.508 nan 8.230 nan 0.000 0.437 791 Y N 0.197 120.600 120.300 0.172 0.000 2.352 791 Y HA -0.219 4.331 4.550 -0.001 0.000 0.292 791 Y C 2.440 178.263 175.900 -0.128 0.000 1.136 791 Y CA 1.582 59.532 58.100 -0.250 0.000 1.227 791 Y CB -0.105 38.107 38.460 -0.414 0.000 0.991 791 Y HN 0.152 nan 8.280 nan 0.000 0.545 792 K N 0.012 120.438 120.400 0.042 0.000 2.362 792 K HA -0.144 4.176 4.320 -0.001 0.000 0.200 792 K C 0.263 176.852 176.600 -0.018 0.000 1.046 792 K CA 0.829 57.131 56.287 0.024 0.000 0.952 792 K CB -0.129 32.440 32.500 0.115 0.000 0.753 792 K HN 0.091 nan 8.250 nan 0.000 0.466 793 N N 0.283 118.993 118.700 0.016 0.000 2.898 793 N HA 0.153 4.893 4.740 -0.001 0.000 0.245 793 N C -2.463 173.078 175.510 0.051 0.000 1.185 793 N CA -2.318 50.753 53.050 0.036 0.000 0.879 793 N CB 1.290 39.828 38.487 0.085 0.000 1.157 793 N HN -0.215 nan 8.380 nan 0.000 0.503 794 P HA -0.222 nan 4.420 nan 0.000 0.218 794 P C 1.296 178.638 177.300 0.070 0.000 1.154 794 P CA 1.379 64.451 63.100 -0.045 0.000 0.872 794 P CB 0.318 31.950 31.700 -0.112 0.000 0.790 795 R N -0.519 120.013 120.500 0.053 0.000 2.092 795 R HA -0.133 4.206 4.340 -0.001 0.000 0.231 795 R C 1.972 178.320 176.300 0.080 0.000 1.119 795 R CA 1.245 57.380 56.100 0.059 0.000 0.970 795 R CB -0.226 30.097 30.300 0.038 0.000 0.864 795 R HN 0.107 nan 8.270 nan 0.000 0.440 796 E N -0.721 119.537 120.200 0.097 0.000 2.122 796 E HA -0.165 4.185 4.350 -0.001 0.000 0.190 796 E C 1.440 178.094 176.600 0.090 0.000 0.977 796 E CA 0.601 57.051 56.400 0.083 0.000 0.820 796 E CB -0.305 29.445 29.700 0.083 0.000 0.770 796 E HN 0.378 nan 8.360 nan 0.000 0.462 797 W N 2.109 123.422 121.300 0.021 0.000 2.333 797 W HA -0.197 4.463 4.660 -0.001 0.000 0.316 797 W C 2.216 178.758 176.519 0.038 0.000 1.215 797 W CA 2.579 59.954 57.345 0.051 0.000 1.278 797 W CB -0.432 29.039 29.460 0.018 0.000 1.154 797 W HN -0.028 nan 8.180 nan 0.000 0.486 798 T N 0.270 114.962 114.554 0.231 0.000 2.962 798 T HA -0.110 4.240 4.350 -0.001 0.000 0.270 798 T C 1.700 176.410 174.700 0.017 0.000 1.088 798 T CA 1.120 63.287 62.100 0.112 0.000 1.127 798 T CB -0.217 68.725 68.868 0.123 0.000 0.883 798 T HN 0.166 nan 8.240 nan 0.000 0.493 799 R N 0.402 120.912 120.500 0.016 0.000 2.115 799 R HA 0.199 4.539 4.340 -0.001 0.000 0.226 799 R C 2.384 178.662 176.300 -0.037 0.000 1.100 799 R CA 0.761 56.868 56.100 0.013 0.000 0.980 799 R CB -0.254 30.061 30.300 0.024 0.000 0.875 799 R HN 0.370 nan 8.270 nan 0.000 0.445 800 M N 0.507 120.038 119.600 -0.116 0.000 2.349 800 M HA -0.085 4.395 4.480 -0.001 0.000 0.266 800 M C 1.767 177.952 176.300 -0.193 0.000 1.076 800 M CA 1.090 56.290 55.300 -0.168 0.000 1.126 800 M CB 0.320 32.767 32.600 -0.256 0.000 1.392 800 M HN -0.055 nan 8.290 nan 0.000 0.440 801 V N 0.936 120.702 119.914 -0.247 0.000 2.295 801 V HA -0.291 3.828 4.120 -0.001 0.000 0.246 801 V C 2.194 178.253 176.094 -0.059 0.000 1.049 801 V CA 1.849 64.031 62.300 -0.197 0.000 1.024 801 V CB -0.545 31.168 31.823 -0.183 0.000 0.648 801 V HN 0.494 nan 8.190 nan 0.000 0.447 802 I N -0.432 120.134 120.570 -0.007 0.000 2.286 802 I HA -0.244 3.926 4.170 -0.001 0.000 0.248 802 I C 2.673 178.837 176.117 0.078 0.000 1.115 802 I CA 1.407 62.759 61.300 0.086 0.000 1.392 802 I CB -0.371 37.735 38.000 0.176 0.000 1.065 802 I HN 0.192 nan 8.210 nan 0.000 0.418 803 R N 1.146 121.665 120.500 0.033 0.000 2.120 803 R HA -0.107 4.233 4.340 -0.001 0.000 0.234 803 R C 2.015 178.341 176.300 0.044 0.000 1.123 803 R CA 1.334 57.452 56.100 0.030 0.000 0.975 803 R CB -0.193 30.105 30.300 -0.004 0.000 0.866 803 R HN 0.428 nan 8.270 nan 0.000 0.446 804 N N -0.299 118.419 118.700 0.030 0.000 2.182 804 N HA -0.056 4.683 4.740 -0.001 0.000 0.186 804 N C 1.784 177.352 175.510 0.096 0.000 1.036 804 N CA 1.468 54.559 53.050 0.069 0.000 0.850 804 N CB -0.019 38.481 38.487 0.021 0.000 1.010 804 N HN 0.150 nan 8.380 nan 0.000 0.432 805 I N 1.715 122.330 120.570 0.075 0.000 2.248 805 I HA -0.259 3.910 4.170 -0.001 0.000 0.248 805 I C 2.312 178.485 176.117 0.094 0.000 1.107 805 I CA 1.023 62.376 61.300 0.088 0.000 1.373 805 I CB -0.340 37.704 38.000 0.073 0.000 1.055 805 I HN 0.106 nan 8.210 nan 0.000 0.418 806 A N -0.979 121.896 122.820 0.091 0.000 2.119 806 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 806 A C 2.201 179.826 177.584 0.069 0.000 1.153 806 A CA 1.786 53.867 52.037 0.075 0.000 0.692 806 A CB -0.447 18.599 19.000 0.077 0.000 0.799 806 A HN 0.371 nan 8.150 nan 0.000 0.458 807 T N -0.833 113.777 114.554 0.093 0.000 3.085 807 T HA 0.102 4.452 4.350 -0.001 0.000 0.264 807 T C 1.403 176.195 174.700 0.153 0.000 1.019 807 T CA 0.732 62.891 62.100 0.097 0.000 0.910 807 T CB -0.408 68.518 68.868 0.097 0.000 1.059 807 T HN 0.567 nan 8.240 nan 0.000 0.542 808 S N -0.686 115.129 115.700 0.192 0.000 2.593 808 S HA 0.191 4.661 4.470 -0.001 0.000 0.217 808 S C 2.149 176.858 174.600 0.183 0.000 0.966 808 S CA 0.356 58.749 58.200 0.322 0.000 0.914 808 S CB -0.180 63.195 63.200 0.292 0.000 0.776 808 S HN 0.419 nan 8.310 nan 0.000 0.523 809 G N 2.273 111.097 108.800 0.039 0.000 2.443 809 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.219 809 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.219 809 G C 1.316 176.129 174.900 -0.145 0.000 1.131 809 G CA 0.646 45.739 45.100 -0.011 0.000 0.775 809 G HN 0.578 nan 8.290 nan 0.000 0.547 810 K N -0.159 119.999 120.400 -0.403 0.000 2.209 810 K HA -0.031 4.288 4.320 -0.001 0.000 0.204 810 K C 0.936 177.142 176.600 -0.655 0.000 1.048 810 K CA 0.644 56.548 56.287 -0.638 0.000 0.940 810 K CB -0.202 31.706 32.500 -0.986 0.000 0.729 810 K HN 0.339 nan 8.250 nan 0.000 0.451 811 F N 0.950 120.930 119.950 0.050 0.000 2.663 811 F HA 0.193 4.720 4.527 -0.001 0.000 0.299 811 F C 0.726 176.574 175.800 0.079 0.000 1.143 811 F CA -0.338 57.700 58.000 0.063 0.000 1.387 811 F CB -0.028 39.008 39.000 0.061 0.000 1.019 811 F HN -0.168 nan 8.300 nan 0.000 0.523 812 S N 0.146 115.916 115.700 0.117 0.000 2.545 812 S HA 0.134 4.604 4.470 -0.001 0.000 0.275 812 S C 1.466 176.139 174.600 0.121 0.000 1.299 812 S CA -0.116 58.156 58.200 0.120 0.000 1.048 812 S CB 0.717 63.954 63.200 0.063 0.000 0.938 812 S HN 0.372 nan 8.310 nan 0.000 0.496 813 S N 3.315 119.112 115.700 0.163 0.000 2.500 813 S HA -0.090 4.380 4.470 -0.001 0.000 0.239 813 S C 0.956 175.578 174.600 0.036 0.000 0.989 813 S CA 0.784 59.085 58.200 0.169 0.000 0.951 813 S CB -0.315 63.064 63.200 0.299 0.000 0.759 813 S HN 0.786 nan 8.310 nan 0.000 0.523 814 D N 1.663 122.082 120.400 0.031 0.000 2.178 814 D HA -0.059 4.580 4.640 -0.001 0.000 0.202 814 D C 2.106 178.394 176.300 -0.021 0.000 0.974 814 D CA 0.676 54.674 54.000 -0.003 0.000 0.841 814 D CB -0.280 40.523 40.800 0.004 0.000 0.953 814 D HN 0.306 nan 8.370 nan 0.000 0.478 815 R N 0.913 121.402 120.500 -0.018 0.000 2.062 815 R HA -0.070 4.270 4.340 -0.001 0.000 0.229 815 R C 1.871 178.142 176.300 -0.048 0.000 1.128 815 R CA 1.284 57.360 56.100 -0.040 0.000 0.960 815 R CB -0.798 29.467 30.300 -0.059 0.000 0.855 815 R HN 0.077 nan 8.270 nan 0.000 0.432 816 T N 2.315 116.854 114.554 -0.025 0.000 2.624 816 T HA -0.157 4.193 4.350 -0.001 0.000 0.268 816 T C 1.904 176.563 174.700 -0.069 0.000 1.041 816 T CA 1.588 63.678 62.100 -0.017 0.000 1.159 816 T CB -0.144 68.759 68.868 0.060 0.000 0.863 816 T HN 0.122 nan 8.240 nan 0.000 0.434 817 I N 1.355 121.820 120.570 -0.176 0.000 2.439 817 I HA -0.016 4.154 4.170 -0.001 0.000 0.251 817 I C 2.876 178.947 176.117 -0.078 0.000 1.139 817 I CA 0.775 61.962 61.300 -0.188 0.000 1.438 817 I CB -1.504 36.364 38.000 -0.220 0.000 1.085 817 I HN 0.201 nan 8.210 nan 0.000 0.427 818 A N 0.216 123.004 122.820 -0.053 0.000 1.972 818 A HA -0.212 4.107 4.320 -0.001 0.000 0.219 818 A C 2.214 179.754 177.584 -0.073 0.000 1.169 818 A CA 1.236 53.253 52.037 -0.034 0.000 0.635 818 A CB -0.434 18.550 19.000 -0.026 0.000 0.810 818 A HN 0.502 nan 8.150 nan 0.000 0.446 819 Q N -1.805 117.929 119.800 -0.109 0.000 2.083 819 Q HA -0.144 4.195 4.340 -0.001 0.000 0.198 819 Q C 1.883 177.719 176.000 -0.273 0.000 0.969 819 Q CA 1.513 57.214 55.803 -0.170 0.000 0.838 819 Q CB -0.302 28.320 28.738 -0.194 0.000 0.900 819 Q HN 0.823 nan 8.270 nan 0.000 0.436 820 Y N 0.821 120.827 120.300 -0.489 0.000 2.145 820 Y HA -0.277 4.273 4.550 -0.001 0.000 0.286 820 Y C 2.527 177.861 175.900 -0.943 0.000 1.145 820 Y CA 1.224 58.779 58.100 -0.908 0.000 1.148 820 Y CB -0.454 37.125 38.460 -1.469 0.000 0.981 820 Y HN 0.154 nan 8.280 nan 0.000 0.507 821 A N 0.440 123.048 122.820 -0.352 0.000 1.873 821 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 821 A C 2.240 179.838 177.584 0.022 0.000 1.193 821 A CA 2.222 54.297 52.037 0.062 0.000 0.629 821 A CB -0.586 18.513 19.000 0.165 0.000 0.826 821 A HN 0.436 nan 8.150 nan 0.000 0.447 822 R N -0.864 119.613 120.500 -0.040 0.000 2.100 822 R HA 0.012 4.352 4.340 -0.001 0.000 0.220 822 R C 1.828 178.103 176.300 -0.042 0.000 1.091 822 R CA 1.265 57.354 56.100 -0.018 0.000 0.986 822 R CB -0.157 30.128 30.300 -0.024 0.000 0.888 822 R HN 0.649 nan 8.270 nan 0.000 0.444 823 E N -0.203 119.930 120.200 -0.111 0.000 2.400 823 E HA 0.079 4.429 4.350 -0.001 0.000 0.195 823 E C 1.444 177.988 176.600 -0.094 0.000 1.012 823 E CA 0.533 56.869 56.400 -0.107 0.000 0.875 823 E CB 0.511 30.118 29.700 -0.155 0.000 0.859 823 E HN 0.307 nan 8.360 nan 0.000 0.498 824 I N -1.436 119.045 120.570 -0.148 0.000 4.046 824 I HA 0.012 4.182 4.170 -0.001 0.000 0.285 824 I C 1.340 177.566 176.117 0.182 0.000 1.183 824 I CA -0.094 61.174 61.300 -0.053 0.000 1.337 824 I CB 0.221 38.059 38.000 -0.271 0.000 1.478 824 I HN 0.110 nan 8.210 nan 0.000 0.452 825 W N 1.571 122.967 121.300 0.160 0.000 2.576 825 W HA 0.282 4.942 4.660 -0.000 0.000 0.270 825 W C 1.670 178.231 176.519 0.070 0.000 1.255 825 W CA 0.999 58.420 57.345 0.126 0.000 1.314 825 W CB -1.045 28.472 29.460 0.095 0.000 1.101 825 W HN 0.348 nan 8.180 nan 0.000 0.595 826 G N 0.729 109.666 108.800 0.228 0.000 2.160 826 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.244 826 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.244 826 G C -0.099 174.876 174.900 0.125 0.000 1.022 826 G CA 0.270 45.449 45.100 0.132 0.000 0.741 826 G HN 0.316 nan 8.290 nan 0.000 0.508 827 V N -3.969 116.045 119.914 0.167 0.000 2.881 827 V HA 0.909 5.029 4.120 -0.001 0.000 0.316 827 V C 0.020 176.176 176.094 0.103 0.000 1.070 827 V CA -1.680 60.695 62.300 0.125 0.000 0.976 827 V CB 2.252 34.153 31.823 0.130 0.000 1.038 827 V HN 0.112 nan 8.190 nan 0.000 0.446 828 E N 2.545 122.790 120.200 0.075 0.000 2.197 828 E HA 0.525 4.875 4.350 -0.001 0.000 0.281 828 E C -2.497 174.143 176.600 0.067 0.000 0.995 828 E CA -1.915 54.521 56.400 0.061 0.000 0.808 828 E CB 1.680 31.408 29.700 0.047 0.000 1.093 828 E HN 0.677 nan 8.360 nan 0.000 0.394 829 P HA 0.055 nan 4.420 nan 0.000 0.270 829 P C -0.829 176.501 177.300 0.050 0.000 1.227 829 P CA -0.042 63.092 63.100 0.057 0.000 0.788 829 P CB 0.601 32.327 31.700 0.043 0.000 0.926 830 S N 0.636 116.366 115.700 0.051 0.000 2.668 830 S HA 0.328 4.798 4.470 -0.001 0.000 0.277 830 S C -0.460 174.164 174.600 0.040 0.000 1.170 830 S CA -0.624 57.606 58.200 0.049 0.000 0.994 830 S CB 0.484 63.724 63.200 0.066 0.000 1.051 830 S HN 0.311 nan 8.310 nan 0.000 0.484 831 R N 2.978 123.496 120.500 0.031 0.000 3.863 831 R HA 0.266 4.606 4.340 -0.001 0.000 0.304 831 R C -0.514 175.798 176.300 0.020 0.000 1.485 831 R CA -0.146 55.970 56.100 0.028 0.000 1.355 831 R CB 0.260 30.576 30.300 0.026 0.000 1.457 831 R HN 0.567 nan 8.270 nan 0.000 0.669 832 Q N 0.772 120.581 119.800 0.016 0.000 2.365 832 Q HA 0.327 4.667 4.340 -0.001 0.000 0.269 832 Q C -1.097 174.892 176.000 -0.018 0.000 1.061 832 Q CA -0.824 54.981 55.803 0.004 0.000 0.816 832 Q CB 1.185 29.932 28.738 0.014 0.000 1.325 832 Q HN 0.015 nan 8.270 nan 0.000 0.446 833 R N 1.772 122.254 120.500 -0.030 0.000 2.643 833 R HA 0.325 4.664 4.340 -0.001 0.000 0.270 833 R C -0.845 175.409 176.300 -0.076 0.000 1.061 833 R CA -0.237 55.831 56.100 -0.052 0.000 1.107 833 R CB 0.061 30.332 30.300 -0.048 0.000 0.999 833 R HN 0.589 nan 8.270 nan 0.000 0.460 834 L N 5.516 126.676 121.223 -0.105 0.000 2.295 834 L HA 0.458 4.798 4.340 -0.001 0.000 0.285 834 L C -1.943 174.870 176.870 -0.096 0.000 1.035 834 L CA -1.960 52.788 54.840 -0.152 0.000 0.806 834 L CB 1.431 43.370 42.059 -0.201 0.000 1.214 834 L HN 0.566 nan 8.230 nan 0.000 0.426 835 P HA 0.437 nan 4.420 nan 0.000 0.271 835 P C -1.150 176.121 177.300 -0.048 0.000 1.218 835 P CA -0.171 62.900 63.100 -0.048 0.000 0.780 835 P CB 1.474 33.154 31.700 -0.032 0.000 0.901 836 A N 2.584 125.386 122.820 -0.031 0.000 2.452 836 A HA 0.582 4.901 4.320 -0.001 0.000 0.294 836 A C -2.870 174.712 177.584 -0.003 0.000 1.010 836 A CA -0.841 51.185 52.037 -0.018 0.000 0.613 836 A CB -0.338 18.648 19.000 -0.024 0.000 1.363 836 A HN 0.504 nan 8.150 nan 0.000 0.463 837 P HA 0.621 nan 4.420 nan 0.000 0.286 837 P C -0.179 177.129 177.300 0.012 0.000 1.293 837 P CA 1.007 64.120 63.100 0.022 0.000 0.770 837 P CB 0.689 32.417 31.700 0.046 0.000 1.206 838 D N 0.000 120.408 120.400 0.013 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