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 1abb_1_A DATA FIRST_RESID 10 DATA SEQUENCE RKQISVRGLA GVENVTELKK NFNRHLHFTL VKDRNVATPR DYYFALAHTV DATA SEQUENCE RDHLVGRWIR TQQHYYEKDP KRIYYLSLEF YMGRTLQNTM VNLALENACD DATA SEQUENCE EATYQLGLDM EELEEIEEDA GLGNGGLGRL AACFLDSMAT LGLAAYGYGI DATA SEQUENCE RYEFGIFNQK ICGGWQMEEA DDWLRYGNPW EKARPEFTLP VHFYGRVEHT DATA SEQUENCE SQGAKWVDTQ VVLAMPYDTP VPGYRNNVVN TMRLWSAKAP NDFNLKDFNV DATA SEQUENCE GGYIQAVLDR NLAENISRVL YPNXXXXEGK ELRLKQEYFV VAATLQDIIR DATA SEQUENCE RFKSSKFGCR DPVRTNFDAF PDKVAIQLND THPSLAIPEL MRVLVDLERL DATA SEQUENCE DWDKAWEVTV KTCAYTNHTV IPEALERWPV HLLETLLPRH LQIIYEINQR DATA SEQUENCE FLNRVAAAFP GDVDRLRRMS LVEEGAVKRI NMAHLCIAGS HAVNGVARIH DATA SEQUENCE SEILKKTIFK DFYELEPHKF QNKTNGITPR RWLVLCNPGL AEIIAERIGE DATA SEQUENCE EYISDLDQLR KLLSYVDDEA FIRDVAKVKQ ENKLKFAAYL EREYKVHINP DATA SEQUENCE NSLFDVQVKR IHEYKRQLLN CLHVITLYNR IKKEPNKFVV PRTVMIGGKA DATA SEQUENCE APGYHMAKMI IKLITAIGDV VNHDPVVGDR LRVIFLENYR VSLAEKVIPA DATA SEQUENCE ADLSEQISTA GTEASGTGNM KFMLNGALTI GTMDGANVEM AEEAGEENFF DATA SEQUENCE IFGMRVEDVD RLDQRGYNAQ EYYDRIPELR QIIEQLSSGF FSPKQPDLFK DATA SEQUENCE DIVNMLMHHD RFKVFADYEE YVKCQERVSA LYKNPREWTR MVIRNIATSG DATA SEQUENCE KFSSDRTIAQ YAREIWGVEP SRQRLPAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.304 176.300 0.007 0.000 0.893 10 R CA 0.000 56.103 56.100 0.006 0.000 0.921 10 R CB 0.000 30.303 30.300 0.005 0.000 0.687 11 K N 1.304 121.709 120.400 0.007 0.000 2.360 11 K HA -0.053 4.269 4.320 0.003 0.000 0.201 11 K C 1.230 177.836 176.600 0.009 0.000 1.046 11 K CA 0.909 57.201 56.287 0.009 0.000 0.945 11 K CB 0.147 32.652 32.500 0.009 0.000 0.750 11 K HN 0.236 nan 8.250 nan 0.000 0.464 12 Q N 0.211 120.016 119.800 0.008 0.000 2.488 12 Q HA 0.016 4.357 4.340 0.003 0.000 0.211 12 Q C 0.099 176.103 176.000 0.008 0.000 0.967 12 Q CA 0.452 56.259 55.803 0.007 0.000 0.926 12 Q CB 0.212 28.953 28.738 0.005 0.000 0.992 12 Q HN 0.280 nan 8.270 nan 0.000 0.506 13 I N 0.923 121.498 120.570 0.009 0.000 2.361 13 I HA 0.130 4.302 4.170 0.003 0.000 0.282 13 I C -0.323 175.803 176.117 0.014 0.000 1.075 13 I CA -0.264 61.042 61.300 0.010 0.000 1.205 13 I CB 1.198 39.203 38.000 0.008 0.000 1.406 13 I HN -0.174 nan 8.210 nan 0.000 0.481 14 S N 3.324 119.033 115.700 0.016 0.000 2.569 14 S HA 0.397 4.869 4.470 0.003 0.000 0.280 14 S C 0.977 175.591 174.600 0.024 0.000 1.111 14 S CA -0.737 57.474 58.200 0.019 0.000 0.887 14 S CB 1.862 65.072 63.200 0.018 0.000 1.095 14 S HN 0.281 nan 8.310 nan 0.000 0.476 15 V N 5.004 124.935 119.914 0.028 0.000 2.720 15 V HA -0.155 3.967 4.120 0.003 0.000 0.256 15 V C 2.703 178.817 176.094 0.033 0.000 1.082 15 V CA 2.026 64.347 62.300 0.035 0.000 1.101 15 V CB -1.556 30.291 31.823 0.040 0.000 0.693 15 V HN 0.891 nan 8.190 nan 0.000 0.479 16 R N 2.382 122.900 120.500 0.028 0.000 2.094 16 R HA -0.129 4.212 4.340 0.003 0.000 0.239 16 R C 1.970 178.288 176.300 0.029 0.000 1.137 16 R CA 2.287 58.404 56.100 0.028 0.000 0.943 16 R CB -1.061 29.252 30.300 0.023 0.000 0.850 16 R HN 0.473 nan 8.270 nan 0.000 0.433 17 G N 0.948 109.764 108.800 0.027 0.000 3.383 17 G HA2 0.214 4.176 3.960 0.003 0.000 0.251 17 G HA3 0.214 4.176 3.960 0.003 0.000 0.251 17 G C 0.282 175.203 174.900 0.034 0.000 1.203 17 G CA -0.388 44.729 45.100 0.028 0.000 0.852 17 G HN 0.133 nan 8.290 nan 0.000 0.531 18 L N 1.064 122.310 121.223 0.038 0.000 2.851 18 L HA 0.638 4.980 4.340 0.003 0.000 0.237 18 L C 0.801 177.705 176.870 0.058 0.000 1.257 18 L CA -0.625 54.238 54.840 0.039 0.000 1.061 18 L CB -1.112 40.964 42.059 0.028 0.000 1.372 18 L HN 0.250 nan 8.230 nan 0.000 0.493 19 A N -1.908 120.960 122.820 0.079 0.000 2.544 19 A HA 0.736 5.057 4.320 0.003 0.000 0.291 19 A C 0.372 178.013 177.584 0.095 0.000 1.055 19 A CA 0.105 52.218 52.037 0.126 0.000 0.651 19 A CB 0.459 19.578 19.000 0.198 0.000 1.296 19 A HN 0.040 nan 8.150 nan 0.000 0.431 20 G N -0.856 108.003 108.800 0.098 0.000 3.815 20 G HA2 0.556 4.518 3.960 0.003 0.000 0.265 20 G HA3 0.556 4.518 3.960 0.003 0.000 0.265 20 G C 0.923 175.841 174.900 0.030 0.000 1.026 20 G CA 1.310 46.444 45.100 0.056 0.000 0.868 20 G HN 2.193 nan 8.290 nan 0.000 0.476 21 V N 0.487 120.417 119.914 0.026 0.000 0.689 21 V HA -0.306 3.816 4.120 0.003 0.000 0.092 21 V C 0.617 176.664 176.094 -0.079 0.000 0.795 21 V CA 2.395 64.643 62.300 -0.086 0.000 3.101 21 V CB -0.562 31.209 31.823 -0.086 0.000 0.198 21 V HN 0.385 nan 8.190 nan 0.000 0.107 22 E N 3.093 123.249 120.200 -0.073 0.000 2.026 22 E HA 0.180 4.532 4.350 0.003 0.000 0.249 22 E C -0.048 176.538 176.600 -0.023 0.000 1.273 22 E CA 0.823 57.193 56.400 -0.051 0.000 0.991 22 E CB -1.145 28.528 29.700 -0.045 0.000 1.076 22 E HN 0.580 nan 8.360 nan 0.000 0.438 23 N N 2.082 120.772 118.700 -0.016 0.000 2.777 23 N HA 0.011 4.753 4.740 0.003 0.000 0.260 23 N C 0.220 175.738 175.510 0.014 0.000 1.113 23 N CA -0.256 52.797 53.050 0.005 0.000 0.996 23 N CB 1.183 39.680 38.487 0.017 0.000 1.584 23 N HN -0.039 nan 8.380 nan 0.000 0.573 24 V N 2.354 122.277 119.914 0.015 0.000 2.548 24 V HA -0.069 4.053 4.120 0.003 0.000 0.249 24 V C 2.022 178.130 176.094 0.024 0.000 1.055 24 V CA 1.794 64.106 62.300 0.019 0.000 1.065 24 V CB -0.265 31.568 31.823 0.018 0.000 0.681 24 V HN 0.724 nan 8.190 nan 0.000 0.462 25 T N -1.001 113.567 114.554 0.024 0.000 3.014 25 T HA -0.057 4.295 4.350 0.003 0.000 0.263 25 T C 1.850 176.577 174.700 0.045 0.000 1.078 25 T CA 0.776 62.893 62.100 0.027 0.000 1.135 25 T CB -0.033 68.846 68.868 0.019 0.000 0.895 25 T HN 0.387 nan 8.240 nan 0.000 0.480 26 E N 1.022 121.255 120.200 0.055 0.000 2.122 26 E HA 0.130 4.481 4.350 0.003 0.000 0.190 26 E C 2.213 178.885 176.600 0.119 0.000 0.977 26 E CA 0.459 56.908 56.400 0.081 0.000 0.820 26 E CB -0.248 29.502 29.700 0.084 0.000 0.770 26 E HN 0.438 nan 8.360 nan 0.000 0.462 27 L N 0.965 122.258 121.223 0.118 0.000 2.131 27 L HA -0.173 4.169 4.340 0.003 0.000 0.210 27 L C 2.391 179.361 176.870 0.166 0.000 1.092 27 L CA 1.175 56.114 54.840 0.165 0.000 0.759 27 L CB -0.217 41.913 42.059 0.119 0.000 0.903 27 L HN 0.018 nan 8.230 nan 0.000 0.435 28 K N -0.100 120.359 120.400 0.099 0.000 2.057 28 K HA -0.188 4.133 4.320 0.003 0.000 0.206 28 K C 2.176 178.864 176.600 0.146 0.000 1.050 28 K CA 1.019 57.357 56.287 0.086 0.000 0.935 28 K CB -0.087 32.419 32.500 0.009 0.000 0.715 28 K HN 0.156 nan 8.250 nan 0.000 0.439 29 K N 0.929 121.393 120.400 0.106 0.000 2.148 29 K HA -0.116 4.206 4.320 0.003 0.000 0.204 29 K C 1.461 178.117 176.600 0.092 0.000 1.050 29 K CA 1.165 57.501 56.287 0.081 0.000 0.942 29 K CB 0.104 32.636 32.500 0.053 0.000 0.724 29 K HN 0.056 nan 8.250 nan 0.000 0.446 30 N N 0.155 118.942 118.700 0.145 0.000 2.354 30 N HA -0.105 4.636 4.740 0.003 0.000 0.179 30 N C 1.367 177.041 175.510 0.274 0.000 1.021 30 N CA 0.567 53.711 53.050 0.157 0.000 0.887 30 N CB -0.257 38.371 38.487 0.234 0.000 0.974 30 N HN 0.156 nan 8.380 nan 0.000 0.437 31 F N 2.074 122.118 119.950 0.156 0.000 2.146 31 F HA -0.011 4.518 4.527 0.003 0.000 0.298 31 F C 1.919 177.796 175.800 0.129 0.000 1.096 31 F CA 1.210 59.306 58.000 0.161 0.000 1.275 31 F CB -0.258 38.807 39.000 0.109 0.000 1.008 31 F HN -0.005 nan 8.300 nan 0.000 0.480 32 N N 0.551 119.452 118.700 0.336 0.000 2.120 32 N HA -0.156 4.586 4.740 0.003 0.000 0.188 32 N C 2.013 177.539 175.510 0.027 0.000 1.024 32 N CA 1.245 54.430 53.050 0.225 0.000 0.852 32 N CB -0.274 38.308 38.487 0.158 0.000 1.003 32 N HN 0.378 nan 8.380 nan 0.000 0.424 33 R N 0.107 120.512 120.500 -0.158 0.000 2.083 33 R HA -0.129 4.213 4.340 0.003 0.000 0.237 33 R C 1.941 178.029 176.300 -0.354 0.000 1.137 33 R CA 1.464 57.302 56.100 -0.437 0.000 0.951 33 R CB -0.436 29.653 30.300 -0.351 0.000 0.851 33 R HN 0.474 nan 8.270 nan 0.000 0.434 34 H N -0.094 118.879 119.070 -0.162 0.000 2.363 34 H HA -0.060 4.497 4.556 0.003 0.000 0.301 34 H C 1.866 177.044 175.328 -0.250 0.000 1.074 34 H CA 1.029 56.958 56.048 -0.198 0.000 1.354 34 H CB -0.084 29.557 29.762 -0.202 0.000 1.397 34 H HN 0.023 nan 8.280 nan 0.000 0.516 35 L N 0.412 121.513 121.223 -0.203 0.000 2.013 35 L HA -0.248 4.094 4.340 0.003 0.000 0.212 35 L C 1.709 178.359 176.870 -0.366 0.000 1.073 35 L CA 1.974 56.607 54.840 -0.344 0.000 0.753 35 L CB -0.410 41.365 42.059 -0.473 0.000 0.890 35 L HN 0.321 nan 8.230 nan 0.000 0.432 36 H N -2.592 116.378 119.070 -0.166 0.000 2.317 36 H HA -0.012 4.546 4.556 0.003 0.000 0.304 36 H C 1.578 176.955 175.328 0.082 0.000 1.067 36 H CA 1.972 57.945 56.048 -0.125 0.000 1.352 36 H CB -0.072 29.491 29.762 -0.331 0.000 1.398 36 H HN 0.237 nan 8.280 nan 0.000 0.510 37 F N -0.782 119.190 119.950 0.036 0.000 2.530 37 F HA 0.107 4.636 4.527 0.003 0.000 0.292 37 F C 2.105 177.844 175.800 -0.101 0.000 1.109 37 F CA 0.626 58.602 58.000 -0.041 0.000 1.450 37 F CB -0.459 38.496 39.000 -0.075 0.000 1.114 37 F HN 0.048 nan 8.300 nan 0.000 0.560 38 T N -0.345 114.227 114.554 0.029 0.000 3.021 38 T HA 0.084 4.435 4.350 0.003 0.000 0.245 38 T C 1.812 176.429 174.700 -0.138 0.000 1.028 38 T CA 0.628 62.663 62.100 -0.109 0.000 1.139 38 T CB 0.034 68.766 68.868 -0.227 0.000 0.884 38 T HN -0.066 nan 8.240 nan 0.000 0.457 39 L N 0.801 121.952 121.223 -0.121 0.000 2.408 39 L HA 0.323 4.665 4.340 0.003 0.000 0.215 39 L C 0.561 177.382 176.870 -0.081 0.000 1.081 39 L CA 0.451 55.220 54.840 -0.118 0.000 0.840 39 L CB -0.311 41.677 42.059 -0.119 0.000 1.002 39 L HN 0.007 nan 8.230 nan 0.000 0.468 40 V N 0.695 120.583 119.914 -0.044 0.000 6.104 40 V HA -0.262 3.860 4.120 0.003 0.000 0.260 40 V C 0.260 176.334 176.094 -0.034 0.000 0.610 40 V CA 0.717 63.017 62.300 0.000 0.000 0.645 40 V CB -1.885 29.940 31.823 0.004 0.000 0.494 40 V HN 0.366 nan 8.190 nan 0.000 0.545 41 K N 0.656 121.012 120.400 -0.073 0.000 2.367 41 K HA 0.856 5.178 4.320 0.003 0.000 0.272 41 K C -0.544 175.972 176.600 -0.140 0.000 1.046 41 K CA -0.189 56.032 56.287 -0.112 0.000 0.895 41 K CB 2.476 34.872 32.500 -0.174 0.000 1.512 41 K HN 0.577 nan 8.250 nan 0.000 0.433 42 D N -1.714 118.599 120.400 -0.146 0.000 2.671 42 D HA 0.210 4.852 4.640 0.003 0.000 0.273 42 D C 0.058 176.320 176.300 -0.063 0.000 1.264 42 D CA -0.515 53.444 54.000 -0.068 0.000 0.788 42 D CB 0.916 41.747 40.800 0.051 0.000 1.324 42 D HN 0.425 nan 8.370 nan 0.000 0.424 43 R N 0.797 121.327 120.500 0.049 0.000 2.276 43 R HA 0.206 4.548 4.340 0.003 0.000 0.203 43 R C 0.635 176.982 176.300 0.078 0.000 1.017 43 R CA 1.161 57.323 56.100 0.104 0.000 1.010 43 R CB -0.482 29.928 30.300 0.184 0.000 0.900 43 R HN 0.282 nan 8.270 nan 0.000 0.469 44 N N -0.213 118.517 118.700 0.050 0.000 2.354 44 N HA -0.008 4.734 4.740 0.003 0.000 0.179 44 N C 0.455 175.976 175.510 0.017 0.000 1.021 44 N CA 0.978 54.051 53.050 0.039 0.000 0.887 44 N CB 0.575 39.084 38.487 0.036 0.000 0.974 44 N HN 0.025 nan 8.380 nan 0.000 0.437 45 V N -0.703 119.205 119.914 -0.010 0.000 3.432 45 V HA 0.434 4.555 4.120 0.003 0.000 0.298 45 V C 0.143 176.192 176.094 -0.076 0.000 1.464 45 V CA -0.204 62.077 62.300 -0.031 0.000 1.046 45 V CB 0.170 31.977 31.823 -0.025 0.000 0.887 45 V HN 0.162 nan 8.190 nan 0.000 0.441 46 A N 0.048 122.791 122.820 -0.129 0.000 2.306 46 A HA 0.766 5.087 4.320 0.003 0.000 0.330 46 A C 0.224 177.702 177.584 -0.177 0.000 1.146 46 A CA -0.110 51.772 52.037 -0.258 0.000 0.827 46 A CB 0.836 19.491 19.000 -0.575 0.000 1.178 46 A HN 0.228 nan 8.150 nan 0.000 0.490 47 T N 2.364 116.807 114.554 -0.185 0.000 2.936 47 T HA 0.460 4.812 4.350 0.003 0.000 0.282 47 T C -1.648 173.051 174.700 -0.003 0.000 1.003 47 T CA -1.097 60.964 62.100 -0.065 0.000 1.005 47 T CB 1.271 70.094 68.868 -0.074 0.000 1.097 47 T HN 0.550 nan 8.240 nan 0.000 0.532 48 P HA -0.172 nan 4.420 nan 0.000 0.216 48 P C 1.383 178.721 177.300 0.064 0.000 1.150 48 P CA 1.167 64.362 63.100 0.159 0.000 0.843 48 P CB 0.315 32.068 31.700 0.088 0.000 0.787 49 R N 0.406 120.884 120.500 -0.038 0.000 2.066 49 R HA -0.108 4.234 4.340 0.003 0.000 0.232 49 R C 2.146 178.394 176.300 -0.087 0.000 1.131 49 R CA 1.794 57.822 56.100 -0.121 0.000 0.955 49 R CB -0.858 29.354 30.300 -0.147 0.000 0.851 49 R HN 0.013 nan 8.270 nan 0.000 0.432 50 D N -0.653 119.734 120.400 -0.021 0.000 2.144 50 D HA -0.181 4.461 4.640 0.003 0.000 0.199 50 D C 1.431 177.676 176.300 -0.091 0.000 0.984 50 D CA 1.308 55.297 54.000 -0.018 0.000 0.834 50 D CB -0.083 40.597 40.800 -0.199 0.000 0.955 50 D HN 0.342 nan 8.370 nan 0.000 0.465 51 Y N -0.559 119.755 120.300 0.022 0.000 2.516 51 Y HA -0.119 4.433 4.550 0.003 0.000 0.291 51 Y C 1.989 177.908 175.900 0.030 0.000 1.131 51 Y CA 0.168 58.294 58.100 0.044 0.000 1.281 51 Y CB -0.438 38.139 38.460 0.194 0.000 1.013 51 Y HN 0.077 nan 8.280 nan 0.000 0.554 52 Y N -0.962 119.329 120.300 -0.014 0.000 2.286 52 Y HA -0.141 4.410 4.550 0.003 0.000 0.293 52 Y C 1.408 177.161 175.900 -0.245 0.000 1.124 52 Y CA 1.100 59.113 58.100 -0.145 0.000 1.178 52 Y CB -0.731 37.547 38.460 -0.304 0.000 1.010 52 Y HN 0.003 nan 8.280 nan 0.000 0.536 53 F N 0.182 119.924 119.950 -0.346 0.000 2.367 53 F HA 0.108 4.637 4.527 0.003 0.000 0.298 53 F C 2.539 178.161 175.800 -0.296 0.000 1.094 53 F CA 0.707 58.434 58.000 -0.456 0.000 1.409 53 F CB -1.196 37.694 39.000 -0.183 0.000 1.064 53 F HN 0.168 nan 8.300 nan 0.000 0.528 54 A N 0.468 123.196 122.820 -0.153 0.000 1.845 54 A HA -0.173 4.149 4.320 0.003 0.000 0.215 54 A C 2.175 179.511 177.584 -0.414 0.000 1.195 54 A CA 1.804 53.620 52.037 -0.369 0.000 0.616 54 A CB -1.199 17.297 19.000 -0.840 0.000 0.832 54 A HN 0.342 nan 8.150 nan 0.000 0.443 55 L N -0.232 120.803 121.223 -0.314 0.000 2.017 55 L HA -0.057 4.284 4.340 0.003 0.000 0.208 55 L C 2.640 179.419 176.870 -0.152 0.000 1.073 55 L CA 2.376 57.217 54.840 0.002 0.000 0.745 55 L CB -0.772 41.457 42.059 0.283 0.000 0.894 55 L HN 0.354 nan 8.230 nan 0.000 0.432 56 A N -1.058 121.514 122.820 -0.413 0.000 1.917 56 A HA -0.311 4.011 4.320 0.003 0.000 0.219 56 A C 2.111 179.203 177.584 -0.819 0.000 1.182 56 A CA 2.253 53.880 52.037 -0.683 0.000 0.633 56 A CB -1.181 17.105 19.000 -1.190 0.000 0.819 56 A HN 0.740 nan 8.150 nan 0.000 0.448 57 H N -1.268 117.418 119.070 -0.639 0.000 2.363 57 H HA -0.034 4.523 4.556 0.003 0.000 0.301 57 H C 2.358 177.222 175.328 -0.774 0.000 1.074 57 H CA 1.769 57.368 56.048 -0.748 0.000 1.354 57 H CB -0.152 29.067 29.762 -0.905 0.000 1.397 57 H HN 0.442 nan 8.280 nan 0.000 0.516 58 T N -0.184 114.086 114.554 -0.474 0.000 2.803 58 T HA -0.139 4.212 4.350 0.003 0.000 0.269 58 T C 2.138 176.912 174.700 0.123 0.000 1.052 58 T CA 1.184 63.242 62.100 -0.070 0.000 1.136 58 T CB -0.306 68.653 68.868 0.151 0.000 0.864 58 T HN 0.102 nan 8.240 nan 0.000 0.467 59 V N 0.705 120.694 119.914 0.125 0.000 2.788 59 V HA 0.016 4.138 4.120 0.003 0.000 0.251 59 V C 2.578 178.820 176.094 0.248 0.000 1.068 59 V CA 1.108 63.581 62.300 0.289 0.000 1.090 59 V CB -0.431 31.579 31.823 0.311 0.000 0.710 59 V HN 0.312 nan 8.190 nan 0.000 0.467 60 R N 0.019 120.553 120.500 0.058 0.000 2.096 60 R HA -0.166 4.176 4.340 0.003 0.000 0.235 60 R C 2.017 178.328 176.300 0.018 0.000 1.127 60 R CA 1.741 57.873 56.100 0.052 0.000 0.968 60 R CB -0.251 29.952 30.300 -0.162 0.000 0.861 60 R HN 0.517 nan 8.270 nan 0.000 0.440 61 D N -0.214 120.138 120.400 -0.081 0.000 2.126 61 D HA -0.197 4.445 4.640 0.003 0.000 0.190 61 D C 1.766 177.977 176.300 -0.149 0.000 1.001 61 D CA 1.764 55.675 54.000 -0.148 0.000 0.841 61 D CB -0.552 40.079 40.800 -0.282 0.000 0.949 61 D HN 0.514 nan 8.370 nan 0.000 0.446 62 H N 0.150 119.277 119.070 0.094 0.000 2.353 62 H HA 0.009 4.566 4.556 0.003 0.000 0.300 62 H C 2.250 177.629 175.328 0.085 0.000 1.090 62 H CA 0.550 56.647 56.048 0.082 0.000 1.327 62 H CB -0.064 29.742 29.762 0.074 0.000 1.383 62 H HN 0.056 nan 8.280 nan 0.000 0.508 63 L N 1.117 122.465 121.223 0.207 0.000 2.005 63 L HA -0.145 4.196 4.340 0.003 0.000 0.207 63 L C 2.409 179.373 176.870 0.157 0.000 1.072 63 L CA 1.534 56.474 54.840 0.167 0.000 0.744 63 L CB -0.277 41.894 42.059 0.185 0.000 0.895 63 L HN 0.371 nan 8.230 nan 0.000 0.433 64 V N -2.435 117.553 119.914 0.122 0.000 2.427 64 V HA -0.068 4.053 4.120 0.003 0.000 0.248 64 V C 2.433 178.651 176.094 0.206 0.000 1.051 64 V CA 1.497 63.892 62.300 0.159 0.000 1.048 64 V CB -1.945 29.920 31.823 0.070 0.000 0.666 64 V HN 0.475 nan 8.190 nan 0.000 0.456 65 G N 1.002 109.883 108.800 0.134 0.000 2.599 65 G HA2 -0.328 3.634 3.960 0.003 0.000 0.219 65 G HA3 -0.328 3.634 3.960 0.003 0.000 0.219 65 G C 1.758 176.727 174.900 0.116 0.000 1.193 65 G CA 1.379 46.548 45.100 0.114 0.000 0.778 65 G HN 0.557 nan 8.290 nan 0.000 0.589 66 R N -1.412 119.158 120.500 0.115 0.000 2.148 66 R HA -0.047 4.295 4.340 0.003 0.000 0.227 66 R C 2.235 178.592 176.300 0.096 0.000 1.103 66 R CA 0.956 57.100 56.100 0.073 0.000 0.983 66 R CB -0.336 30.002 30.300 0.062 0.000 0.874 66 R HN 0.559 nan 8.270 nan 0.000 0.451 67 W N 1.455 122.747 121.300 -0.013 0.000 2.358 67 W HA -0.162 4.500 4.660 0.003 0.000 0.303 67 W C 1.537 178.039 176.519 -0.029 0.000 1.208 67 W CA 1.130 58.462 57.345 -0.022 0.000 1.274 67 W CB -0.021 29.441 29.460 0.003 0.000 1.138 67 W HN -0.105 nan 8.180 nan 0.000 0.515 68 I N 0.859 121.542 120.570 0.188 0.000 2.060 68 I HA -0.285 3.887 4.170 0.003 0.000 0.233 68 I C 2.508 178.558 176.117 -0.111 0.000 1.054 68 I CA 1.563 62.893 61.300 0.050 0.000 1.318 68 I CB -1.791 36.289 38.000 0.133 0.000 1.054 68 I HN -0.025 nan 8.210 nan 0.000 0.395 69 R N 0.383 120.854 120.500 -0.047 0.000 2.174 69 R HA -0.182 4.160 4.340 0.003 0.000 0.253 69 R C 2.142 178.362 176.300 -0.134 0.000 1.165 69 R CA 1.774 57.837 56.100 -0.062 0.000 0.984 69 R CB -1.485 28.794 30.300 -0.034 0.000 0.873 69 R HN 0.457 nan 8.270 nan 0.000 0.456 70 T N 1.269 115.679 114.554 -0.239 0.000 2.777 70 T HA -0.099 4.252 4.350 0.003 0.000 0.266 70 T C 1.814 176.200 174.700 -0.523 0.000 1.040 70 T CA 1.030 62.887 62.100 -0.405 0.000 1.141 70 T CB 0.004 68.592 68.868 -0.467 0.000 0.868 70 T HN 0.181 nan 8.240 nan 0.000 0.444 71 Q N 1.004 120.489 119.800 -0.525 0.000 2.137 71 Q HA 0.043 4.385 4.340 0.003 0.000 0.198 71 Q C 2.465 178.395 176.000 -0.117 0.000 0.960 71 Q CA 1.007 56.566 55.803 -0.408 0.000 0.847 71 Q CB -0.335 28.024 28.738 -0.632 0.000 0.915 71 Q HN 0.654 nan 8.270 nan 0.000 0.448 72 Q N -0.057 119.664 119.800 -0.132 0.000 1.975 72 Q HA -0.233 4.109 4.340 0.003 0.000 0.205 72 Q C 1.964 178.006 176.000 0.070 0.000 0.990 72 Q CA 1.810 57.599 55.803 -0.024 0.000 0.845 72 Q CB -0.548 28.177 28.738 -0.021 0.000 0.913 72 Q HN 0.554 nan 8.270 nan 0.000 0.420 73 H N -0.754 118.286 119.070 -0.050 0.000 2.539 73 H HA -0.176 4.382 4.556 0.003 0.000 0.292 73 H C 0.876 176.277 175.328 0.121 0.000 1.069 73 H CA 1.227 57.276 56.048 0.003 0.000 1.244 73 H CB 0.164 29.893 29.762 -0.055 0.000 1.365 73 H HN 0.253 nan 8.280 nan 0.000 0.575 74 Y N -1.883 118.472 120.300 0.092 0.000 2.478 74 Y HA 0.031 4.582 4.550 0.003 0.000 0.261 74 Y C 1.256 177.173 175.900 0.028 0.000 1.127 74 Y CA -0.191 57.931 58.100 0.037 0.000 1.288 74 Y CB -0.480 38.026 38.460 0.076 0.000 1.084 74 Y HN 0.302 nan 8.280 nan 0.000 0.530 75 Y N 0.613 120.971 120.300 0.096 0.000 2.206 75 Y HA -0.087 4.465 4.550 0.003 0.000 0.292 75 Y C 2.121 178.031 175.900 0.018 0.000 1.123 75 Y CA 1.281 59.414 58.100 0.056 0.000 1.142 75 Y CB -0.005 38.477 38.460 0.037 0.000 1.006 75 Y HN -0.100 nan 8.280 nan 0.000 0.518 76 E N 0.118 120.393 120.200 0.125 0.000 2.409 76 E HA -0.149 4.203 4.350 0.003 0.000 0.198 76 E C 1.592 178.169 176.600 -0.038 0.000 1.024 76 E CA 0.944 57.362 56.400 0.031 0.000 0.861 76 E CB -0.044 29.660 29.700 0.005 0.000 0.788 76 E HN 0.361 nan 8.360 nan 0.000 0.521 77 K N 0.796 121.149 120.400 -0.079 0.000 2.402 77 K HA 0.001 4.323 4.320 0.003 0.000 0.204 77 K C -0.382 176.183 176.600 -0.058 0.000 1.056 77 K CA 0.030 56.256 56.287 -0.102 0.000 1.069 77 K CB 0.372 32.741 32.500 -0.218 0.000 0.888 77 K HN -0.236 nan 8.250 nan 0.000 0.546 78 D N 2.705 123.078 120.400 -0.044 0.000 3.939 78 D HA -0.144 4.498 4.640 0.003 0.000 0.187 78 D C -2.111 174.151 176.300 -0.063 0.000 1.256 78 D CA 0.410 54.373 54.000 -0.062 0.000 0.750 78 D CB 0.316 41.095 40.800 -0.036 0.000 0.973 78 D HN 0.350 nan 8.370 nan 0.000 0.481 79 P HA 0.166 nan 4.420 nan 0.000 0.284 79 P C -0.382 176.841 177.300 -0.129 0.000 1.292 79 P CA -0.859 62.166 63.100 -0.125 0.000 0.800 79 P CB 0.701 32.278 31.700 -0.206 0.000 1.188 80 K N 0.968 121.300 120.400 -0.113 0.000 2.368 80 K HA 0.111 4.433 4.320 0.003 0.000 0.282 80 K C -0.044 176.458 176.600 -0.164 0.000 1.035 80 K CA -0.082 56.143 56.287 -0.103 0.000 0.973 80 K CB 0.300 32.764 32.500 -0.060 0.000 0.957 80 K HN 0.322 nan 8.250 nan 0.000 0.474 81 R N 3.872 124.269 120.500 -0.171 0.000 2.407 81 R HA 0.383 4.725 4.340 0.003 0.000 0.303 81 R C -0.409 175.667 176.300 -0.373 0.000 0.981 81 R CA -0.763 55.191 56.100 -0.243 0.000 0.905 81 R CB 1.263 31.458 30.300 -0.175 0.000 1.099 81 R HN 0.569 nan 8.270 nan 0.000 0.459 82 I N 3.406 123.692 120.570 -0.474 0.000 2.406 82 I HA 0.281 4.453 4.170 0.003 0.000 0.290 82 I C -1.483 174.341 176.117 -0.488 0.000 0.999 82 I CA -0.799 60.193 61.300 -0.514 0.000 1.124 82 I CB 1.257 38.893 38.000 -0.607 0.000 1.289 82 I HN 0.654 nan 8.210 nan 0.000 0.441 83 Y N 7.817 128.089 120.300 -0.046 0.000 2.721 83 Y HA 0.251 4.803 4.550 0.003 0.000 0.328 83 Y C -0.426 175.560 175.900 0.144 0.000 1.003 83 Y CA -0.592 57.598 58.100 0.149 0.000 1.275 83 Y CB 0.441 38.941 38.460 0.067 0.000 1.097 83 Y HN 0.445 nan 8.280 nan 0.000 0.514 84 Y N 3.730 124.170 120.300 0.234 0.000 2.480 84 Y HA 0.283 4.835 4.550 0.003 0.000 0.341 84 Y C -0.359 175.805 175.900 0.441 0.000 1.031 84 Y CA -0.318 57.940 58.100 0.264 0.000 1.295 84 Y CB 0.379 39.015 38.460 0.294 0.000 1.162 84 Y HN 0.469 nan 8.280 nan 0.000 0.523 85 L N 6.267 127.513 121.223 0.038 0.000 2.297 85 L HA 0.325 4.667 4.340 0.003 0.000 0.277 85 L C -0.310 176.669 176.870 0.183 0.000 1.040 85 L CA -0.258 54.707 54.840 0.208 0.000 0.867 85 L CB 0.564 42.689 42.059 0.110 0.000 1.244 85 L HN 0.543 nan 8.230 nan 0.000 0.433 86 S N 2.641 118.611 115.700 0.450 0.000 2.513 86 S HA 0.408 4.880 4.470 0.003 0.000 0.299 86 S C 0.043 174.903 174.600 0.434 0.000 1.087 86 S CA -0.598 57.807 58.200 0.341 0.000 1.012 86 S CB 1.790 65.007 63.200 0.027 0.000 1.044 86 S HN 0.549 nan 8.310 nan 0.000 0.485 87 L N 3.584 125.009 121.223 0.336 0.000 2.672 87 L HA 0.501 4.843 4.340 0.003 0.000 0.236 87 L C 0.250 177.317 176.870 0.328 0.000 1.186 87 L CA 0.639 55.681 54.840 0.337 0.000 0.977 87 L CB -0.452 41.749 42.059 0.237 0.000 1.203 87 L HN 0.716 nan 8.230 nan 0.000 0.448 88 E N -0.787 119.568 120.200 0.258 0.000 2.388 88 E HA 0.213 4.565 4.350 0.003 0.000 0.289 88 E C -1.690 174.907 176.600 -0.006 0.000 0.944 88 E CA -0.451 56.031 56.400 0.136 0.000 0.792 88 E CB 1.242 30.932 29.700 -0.016 0.000 1.239 88 E HN -0.083 nan 8.360 nan 0.000 0.412 89 F N 3.605 123.614 119.950 0.099 0.000 2.949 89 F HA 0.209 4.738 4.527 0.003 0.000 0.376 89 F C -0.624 175.226 175.800 0.084 0.000 1.205 89 F CA -0.533 57.527 58.000 0.100 0.000 1.155 89 F CB 0.834 39.895 39.000 0.102 0.000 1.495 89 F HN 0.478 nan 8.300 nan 0.000 0.551 90 Y N 4.153 124.431 120.300 -0.036 0.000 2.734 90 Y HA 0.093 4.645 4.550 0.003 0.000 0.353 90 Y C 1.272 177.135 175.900 -0.062 0.000 1.244 90 Y CA -0.325 57.733 58.100 -0.071 0.000 1.950 90 Y CB -0.205 38.200 38.460 -0.092 0.000 2.028 90 Y HN 0.625 nan 8.280 nan 0.000 0.421 91 M N 1.512 121.189 119.600 0.129 0.000 2.126 91 M HA 0.061 4.543 4.480 0.003 0.000 0.259 91 M C 1.384 177.622 176.300 -0.102 0.000 1.073 91 M CA 1.867 57.173 55.300 0.010 0.000 1.103 91 M CB -0.931 31.667 32.600 -0.003 0.000 1.284 91 M HN 0.615 nan 8.290 nan 0.000 0.420 92 G N 0.520 109.257 108.800 -0.104 0.000 2.797 92 G HA2 -0.246 3.716 3.960 0.003 0.000 0.686 92 G HA3 -0.246 3.716 3.960 0.003 0.000 0.686 92 G C -0.710 174.095 174.900 -0.158 0.000 1.452 92 G CA -0.166 44.839 45.100 -0.159 0.000 0.986 92 G HN 0.686 nan 8.290 nan 0.000 0.595 93 R N 0.230 120.658 120.500 -0.120 0.000 3.958 93 R HA -0.133 4.208 4.340 0.003 0.000 0.086 93 R C 1.249 177.431 176.300 -0.197 0.000 0.508 93 R CA 1.375 57.407 56.100 -0.114 0.000 0.709 93 R CB -0.349 29.878 30.300 -0.121 0.000 1.247 93 R HN 0.698 nan 8.270 nan 0.000 0.180 94 T N 3.197 117.588 114.554 -0.272 0.000 2.985 94 T HA 0.094 4.446 4.350 0.003 0.000 0.254 94 T C 1.700 176.097 174.700 -0.504 0.000 1.021 94 T CA -0.287 61.487 62.100 -0.543 0.000 0.957 94 T CB 0.274 68.548 68.868 -0.990 0.000 1.047 94 T HN 0.400 nan 8.240 nan 0.000 0.511 95 L N 1.208 122.347 121.223 -0.139 0.000 1.961 95 L HA -0.101 4.241 4.340 0.003 0.000 0.210 95 L C 2.673 179.530 176.870 -0.022 0.000 1.072 95 L CA 1.825 56.690 54.840 0.041 0.000 0.749 95 L CB -0.449 41.814 42.059 0.341 0.000 0.889 95 L HN 0.295 nan 8.230 nan 0.000 0.432 96 Q N -0.206 119.583 119.800 -0.019 0.000 2.135 96 Q HA -0.275 4.067 4.340 0.003 0.000 0.204 96 Q C 1.970 177.930 176.000 -0.067 0.000 0.981 96 Q CA 1.951 57.738 55.803 -0.028 0.000 0.856 96 Q CB -0.134 28.582 28.738 -0.037 0.000 0.902 96 Q HN 0.515 nan 8.270 nan 0.000 0.425 97 N N -1.000 117.625 118.700 -0.125 0.000 2.120 97 N HA -0.139 4.603 4.740 0.003 0.000 0.188 97 N C 1.354 176.797 175.510 -0.111 0.000 1.024 97 N CA 1.792 54.765 53.050 -0.128 0.000 0.852 97 N CB 0.022 38.401 38.487 -0.181 0.000 1.003 97 N HN 0.198 nan 8.380 nan 0.000 0.424 98 T N 1.384 115.843 114.554 -0.159 0.000 2.821 98 T HA -0.006 4.346 4.350 0.003 0.000 0.267 98 T C 2.014 176.686 174.700 -0.045 0.000 1.046 98 T CA 0.978 63.007 62.100 -0.119 0.000 1.139 98 T CB -0.026 68.706 68.868 -0.227 0.000 0.871 98 T HN 0.296 nan 8.240 nan 0.000 0.454 99 M N 1.255 120.843 119.600 -0.021 0.000 2.229 99 M HA -0.049 4.433 4.480 0.003 0.000 0.264 99 M C 2.605 178.892 176.300 -0.021 0.000 1.063 99 M CA 1.192 56.490 55.300 -0.003 0.000 1.114 99 M CB -0.817 31.796 32.600 0.021 0.000 1.387 99 M HN 0.276 nan 8.290 nan 0.000 0.420 100 V N -1.819 118.087 119.914 -0.013 0.000 2.591 100 V HA -0.079 4.043 4.120 0.003 0.000 0.249 100 V C 1.323 177.415 176.094 -0.003 0.000 1.053 100 V CA 1.779 64.091 62.300 0.020 0.000 1.068 100 V CB -0.941 30.918 31.823 0.061 0.000 0.689 100 V HN 0.346 nan 8.190 nan 0.000 0.462 101 N N 0.052 118.730 118.700 -0.037 0.000 2.412 101 N HA 0.168 4.910 4.740 0.003 0.000 0.184 101 N C 1.060 176.444 175.510 -0.210 0.000 1.101 101 N CA 0.623 53.588 53.050 -0.141 0.000 0.881 101 N CB 0.396 38.867 38.487 -0.027 0.000 0.969 101 N HN 0.442 nan 8.380 nan 0.000 0.459 102 L N -0.813 120.329 121.223 -0.134 0.000 2.731 102 L HA 0.459 4.801 4.340 0.003 0.000 0.240 102 L C 0.642 177.441 176.870 -0.119 0.000 1.120 102 L CA 0.075 54.849 54.840 -0.109 0.000 0.913 102 L CB 0.034 42.071 42.059 -0.038 0.000 1.213 102 L HN 0.100 nan 8.230 nan 0.000 0.515 103 A N -0.980 121.763 122.820 -0.129 0.000 3.168 103 A HA -0.224 4.098 4.320 0.003 0.000 0.249 103 A C 1.066 178.607 177.584 -0.072 0.000 1.280 103 A CA 1.282 53.257 52.037 -0.103 0.000 1.128 103 A CB -2.286 16.653 19.000 -0.102 0.000 1.160 103 A HN 0.277 nan 8.150 nan 0.000 0.900 104 L N -0.546 120.639 121.223 -0.063 0.000 2.607 104 L HA 0.230 4.571 4.340 0.003 0.000 0.228 104 L C 1.795 178.651 176.870 -0.024 0.000 1.123 104 L CA 0.902 55.709 54.840 -0.056 0.000 0.890 104 L CB -0.059 41.956 42.059 -0.073 0.000 1.103 104 L HN 0.549 nan 8.230 nan 0.000 0.468 105 E N 1.040 121.231 120.200 -0.014 0.000 2.070 105 E HA -0.259 4.093 4.350 0.003 0.000 0.197 105 E C 1.708 178.307 176.600 -0.002 0.000 1.004 105 E CA 1.746 58.146 56.400 0.001 0.000 0.805 105 E CB 0.178 29.880 29.700 0.002 0.000 0.744 105 E HN 0.454 nan 8.360 nan 0.000 0.451 106 N N 0.050 118.744 118.700 -0.011 0.000 2.188 106 N HA -0.118 4.624 4.740 0.003 0.000 0.184 106 N C 1.433 176.937 175.510 -0.010 0.000 1.018 106 N CA 1.339 54.381 53.050 -0.014 0.000 0.858 106 N CB -0.389 38.088 38.487 -0.017 0.000 0.989 106 N HN 0.272 nan 8.380 nan 0.000 0.426 107 A N -0.028 122.785 122.820 -0.012 0.000 1.970 107 A HA -0.025 4.296 4.320 0.003 0.000 0.216 107 A C 2.495 180.084 177.584 0.008 0.000 1.170 107 A CA 0.656 52.690 52.037 -0.006 0.000 0.645 107 A CB -0.786 18.202 19.000 -0.020 0.000 0.816 107 A HN 0.382 nan 8.150 nan 0.000 0.447 108 C N -0.613 118.696 119.300 0.015 0.000 2.432 108 C HA -0.120 4.342 4.460 0.003 0.000 0.277 108 C C 2.467 177.473 174.990 0.027 0.000 1.249 108 C CA 1.183 60.225 59.018 0.039 0.000 1.725 108 C CB -1.030 26.748 27.740 0.063 0.000 2.028 108 C HN 0.644 nan 8.230 nan 0.000 0.477 109 D N 0.246 120.660 120.400 0.022 0.000 2.123 109 D HA -0.157 4.485 4.640 0.003 0.000 0.196 109 D C 2.120 178.447 176.300 0.046 0.000 0.992 109 D CA 1.556 55.569 54.000 0.021 0.000 0.833 109 D CB -0.227 40.572 40.800 -0.003 0.000 0.954 109 D HN 0.464 nan 8.370 nan 0.000 0.455 110 E N 0.656 120.880 120.200 0.039 0.000 2.077 110 E HA -0.095 4.256 4.350 0.003 0.000 0.193 110 E C 1.825 178.494 176.600 0.115 0.000 0.989 110 E CA 1.555 58.014 56.400 0.099 0.000 0.800 110 E CB -0.405 29.326 29.700 0.053 0.000 0.746 110 E HN 0.221 nan 8.360 nan 0.000 0.452 111 A N -0.170 122.667 122.820 0.028 0.000 1.873 111 A HA -0.159 4.163 4.320 0.003 0.000 0.215 111 A C 2.473 179.977 177.584 -0.133 0.000 1.186 111 A CA 2.596 54.611 52.037 -0.036 0.000 0.616 111 A CB -1.361 17.621 19.000 -0.029 0.000 0.823 111 A HN 0.497 nan 8.150 nan 0.000 0.442 112 T N -2.855 111.607 114.554 -0.153 0.000 2.746 112 T HA -0.269 4.083 4.350 0.003 0.000 0.267 112 T C 1.876 176.465 174.700 -0.186 0.000 1.039 112 T CA 1.612 63.540 62.100 -0.286 0.000 1.142 112 T CB -0.761 67.997 68.868 -0.183 0.000 0.866 112 T HN 0.531 nan 8.240 nan 0.000 0.444 113 Y N 2.631 122.841 120.300 -0.151 0.000 2.193 113 Y HA -0.159 4.393 4.550 0.003 0.000 0.285 113 Y C 2.364 178.197 175.900 -0.112 0.000 1.166 113 Y CA 1.672 59.704 58.100 -0.113 0.000 1.181 113 Y CB -0.620 37.796 38.460 -0.074 0.000 0.976 113 Y HN 0.310 nan 8.280 nan 0.000 0.520 114 Q N -0.188 119.372 119.800 -0.400 0.000 2.451 114 Q HA 0.086 4.428 4.340 0.003 0.000 0.206 114 Q C 1.310 177.119 176.000 -0.319 0.000 0.947 114 Q CA 0.547 56.081 55.803 -0.449 0.000 0.937 114 Q CB 0.135 28.751 28.738 -0.204 0.000 1.025 114 Q HN 0.499 nan 8.270 nan 0.000 0.511 115 L N -0.052 120.986 121.223 -0.309 0.000 2.685 115 L HA 0.250 4.592 4.340 0.003 0.000 0.233 115 L C 0.558 177.256 176.870 -0.287 0.000 1.173 115 L CA -0.228 54.437 54.840 -0.292 0.000 0.961 115 L CB 0.120 41.925 42.059 -0.424 0.000 1.217 115 L HN 0.273 nan 8.230 nan 0.000 0.478 116 G N 1.124 109.749 108.800 -0.293 0.000 2.338 116 G HA2 -0.265 3.697 3.960 0.003 0.000 0.296 116 G HA3 -0.265 3.697 3.960 0.003 0.000 0.296 116 G C -0.291 174.485 174.900 -0.207 0.000 1.040 116 G CA 0.450 45.409 45.100 -0.235 0.000 1.004 116 G HN 0.327 nan 8.290 nan 0.000 0.509 117 L N -1.434 119.664 121.223 -0.209 0.000 2.251 117 L HA 0.877 5.219 4.340 0.003 0.000 0.244 117 L C -0.626 176.196 176.870 -0.080 0.000 1.095 117 L CA -1.177 53.550 54.840 -0.188 0.000 0.910 117 L CB 1.885 43.760 42.059 -0.306 0.000 1.516 117 L HN 0.181 nan 8.230 nan 0.000 0.429 118 D N -0.514 119.862 120.400 -0.041 0.000 2.686 118 D HA 0.300 4.942 4.640 0.003 0.000 0.249 118 D C 0.217 176.530 176.300 0.021 0.000 1.260 118 D CA -0.554 53.451 54.000 0.008 0.000 0.910 118 D CB 1.667 42.477 40.800 0.017 0.000 1.323 118 D HN 0.556 nan 8.370 nan 0.000 0.561 119 M N 2.422 122.040 119.600 0.031 0.000 2.108 119 M HA -0.114 4.368 4.480 0.003 0.000 0.261 119 M C 1.362 177.691 176.300 0.049 0.000 1.066 119 M CA 1.599 56.931 55.300 0.053 0.000 1.107 119 M CB 0.130 32.760 32.600 0.050 0.000 1.356 119 M HN 0.545 nan 8.290 nan 0.000 0.406 120 E N -0.278 119.941 120.200 0.032 0.000 2.160 120 E HA -0.213 4.138 4.350 0.003 0.000 0.195 120 E C 1.904 178.519 176.600 0.024 0.000 0.991 120 E CA 1.057 57.472 56.400 0.025 0.000 0.810 120 E CB -0.061 29.650 29.700 0.018 0.000 0.742 120 E HN 0.560 nan 8.360 nan 0.000 0.466 121 E N 0.563 120.779 120.200 0.027 0.000 2.023 121 E HA -0.195 4.157 4.350 0.003 0.000 0.196 121 E C 2.311 178.925 176.600 0.023 0.000 1.003 121 E CA 0.966 57.380 56.400 0.024 0.000 0.809 121 E CB -0.211 29.506 29.700 0.028 0.000 0.755 121 E HN 0.306 nan 8.360 nan 0.000 0.449 122 L N 0.905 122.162 121.223 0.057 0.000 2.141 122 L HA -0.157 4.185 4.340 0.003 0.000 0.209 122 L C 2.340 179.242 176.870 0.053 0.000 1.094 122 L CA 0.996 55.892 54.840 0.093 0.000 0.763 122 L CB -0.469 41.710 42.059 0.199 0.000 0.908 122 L HN 0.082 nan 8.230 nan 0.000 0.437 123 E N 0.217 120.451 120.200 0.057 0.000 2.110 123 E HA -0.196 4.156 4.350 0.003 0.000 0.193 123 E C 1.718 178.280 176.600 -0.064 0.000 0.988 123 E CA 0.885 57.308 56.400 0.037 0.000 0.804 123 E CB -0.048 29.673 29.700 0.035 0.000 0.745 123 E HN 0.473 nan 8.360 nan 0.000 0.458 124 E N 0.418 120.584 120.200 -0.057 0.000 2.511 124 E HA -0.081 4.271 4.350 0.003 0.000 0.196 124 E C 1.420 177.942 176.600 -0.130 0.000 1.066 124 E CA 0.248 56.607 56.400 -0.069 0.000 0.871 124 E CB 0.266 29.956 29.700 -0.018 0.000 0.863 124 E HN 0.291 nan 8.360 nan 0.000 0.520 125 I N 0.378 120.794 120.570 -0.256 0.000 3.419 125 I HA 0.004 4.176 4.170 0.003 0.000 0.286 125 I C 1.188 177.012 176.117 -0.488 0.000 1.268 125 I CA 0.167 61.262 61.300 -0.341 0.000 1.414 125 I CB -0.813 36.937 38.000 -0.416 0.000 1.074 125 I HN 0.023 nan 8.210 nan 0.000 0.457 126 E N 2.854 122.708 120.200 -0.577 0.000 2.414 126 E HA -0.020 4.331 4.350 0.003 0.000 0.263 126 E C -0.158 176.391 176.600 -0.084 0.000 1.000 126 E CA -0.080 56.083 56.400 -0.395 0.000 0.914 126 E CB 0.816 30.410 29.700 -0.176 0.000 0.948 126 E HN 0.128 nan 8.360 nan 0.000 0.444 127 E N 3.273 123.514 120.200 0.068 0.000 2.283 127 E HA 0.108 4.460 4.350 0.003 0.000 0.278 127 E C -0.917 175.765 176.600 0.136 0.000 1.027 127 E CA -0.351 56.134 56.400 0.141 0.000 0.843 127 E CB 0.891 30.756 29.700 0.274 0.000 1.062 127 E HN 0.471 nan 8.360 nan 0.000 0.401 128 D N 0.956 121.384 120.400 0.047 0.000 2.455 128 D HA 0.130 4.772 4.640 0.003 0.000 0.241 128 D C -0.170 176.045 176.300 -0.142 0.000 1.138 128 D CA 0.206 54.183 54.000 -0.039 0.000 0.877 128 D CB 0.536 41.290 40.800 -0.077 0.000 1.187 128 D HN 0.410 nan 8.370 nan 0.000 0.451 129 A N 2.905 125.590 122.820 -0.225 0.000 2.500 129 A HA 0.334 4.656 4.320 0.003 0.000 0.285 129 A C 1.248 178.260 177.584 -0.953 0.000 1.183 129 A CA -0.102 51.535 52.037 -0.667 0.000 0.851 129 A CB -0.400 18.422 19.000 -0.296 0.000 1.091 129 A HN 0.629 nan 8.150 nan 0.000 0.521 130 G N 2.138 109.938 108.800 -1.668 0.000 2.991 130 G HA2 0.348 4.310 3.960 0.003 0.000 0.262 130 G HA3 0.348 4.310 3.960 0.003 0.000 0.262 130 G C 0.364 174.869 174.900 -0.659 0.000 0.765 130 G CA -0.162 44.338 45.100 -1.000 0.000 2.051 130 G HN 0.577 nan 8.290 nan 0.000 0.602 131 L N 0.429 121.414 121.223 -0.397 0.000 2.858 131 L HA 0.356 4.698 4.340 0.003 0.000 0.251 131 L C 1.185 178.003 176.870 -0.087 0.000 1.149 131 L CA 0.165 54.968 54.840 -0.061 0.000 0.955 131 L CB -0.079 42.024 42.059 0.074 0.000 1.289 131 L HN 0.331 nan 8.230 nan 0.000 0.542 132 G N -0.672 107.923 108.800 -0.342 0.000 2.725 132 G HA2 0.392 4.353 3.960 0.003 0.000 0.288 132 G HA3 0.392 4.353 3.960 0.003 0.000 0.288 132 G C -0.063 174.233 174.900 -1.007 0.000 1.399 132 G CA -0.147 44.574 45.100 -0.632 0.000 0.859 132 G HN 0.006 nan 8.290 nan 0.000 0.479 133 N N -2.107 115.998 118.700 -0.990 0.000 2.149 133 N HA 0.339 5.080 4.740 0.003 0.000 0.229 133 N C 0.762 175.967 175.510 -0.510 0.000 1.284 133 N CA 1.140 53.768 53.050 -0.703 0.000 0.864 133 N CB 1.037 39.304 38.487 -0.367 0.000 1.169 133 N HN 0.920 nan 8.380 nan 0.000 0.478 134 G N -1.258 107.298 108.800 -0.406 0.000 2.899 134 G HA2 0.323 4.285 3.960 0.003 0.000 0.137 134 G HA3 0.323 4.285 3.960 0.003 0.000 0.137 134 G C 0.569 175.575 174.900 0.177 0.000 1.198 134 G CA 0.008 45.145 45.100 0.061 0.000 1.126 134 G HN 0.136 nan 8.290 nan 0.000 0.589 135 G N -0.009 108.842 108.800 0.086 0.000 2.505 135 G HA2 0.039 4.001 3.960 0.003 0.000 0.214 135 G HA3 0.039 4.001 3.960 0.003 0.000 0.214 135 G C 1.772 176.661 174.900 -0.018 0.000 1.237 135 G CA 1.400 46.529 45.100 0.048 0.000 0.802 135 G HN 0.573 nan 8.290 nan 0.000 0.549 136 L N 1.841 123.015 121.223 -0.082 0.000 2.064 136 L HA -0.112 4.230 4.340 0.003 0.000 0.216 136 L C 2.622 179.412 176.870 -0.133 0.000 1.077 136 L CA 2.756 57.488 54.840 -0.181 0.000 0.766 136 L CB -1.341 40.619 42.059 -0.165 0.000 0.890 136 L HN 0.279 nan 8.230 nan 0.000 0.435 137 G N -1.676 107.064 108.800 -0.099 0.000 2.492 137 G HA2 -0.217 3.744 3.960 0.003 0.000 0.214 137 G HA3 -0.217 3.744 3.960 0.003 0.000 0.214 137 G C 1.687 176.571 174.900 -0.027 0.000 1.147 137 G CA 0.545 45.569 45.100 -0.127 0.000 0.809 137 G HN 0.353 nan 8.290 nan 0.000 0.533 138 R N 0.263 120.835 120.500 0.119 0.000 2.091 138 R HA -0.009 4.332 4.340 0.003 0.000 0.238 138 R C 2.323 178.588 176.300 -0.059 0.000 1.136 138 R CA 1.351 57.509 56.100 0.096 0.000 0.959 138 R CB -0.794 29.566 30.300 0.099 0.000 0.856 138 R HN 0.330 nan 8.270 nan 0.000 0.437 139 L N 0.072 121.195 121.223 -0.168 0.000 2.042 139 L HA -0.022 4.319 4.340 0.003 0.000 0.210 139 L C 2.118 178.557 176.870 -0.718 0.000 1.076 139 L CA 2.306 56.887 54.840 -0.431 0.000 0.749 139 L CB -0.832 41.008 42.059 -0.363 0.000 0.893 139 L HN 0.255 nan 8.230 nan 0.000 0.432 140 A N -0.494 122.022 122.820 -0.507 0.000 1.930 140 A HA -0.017 4.304 4.320 0.003 0.000 0.217 140 A C 2.409 179.841 177.584 -0.255 0.000 1.175 140 A CA 1.526 53.248 52.037 -0.525 0.000 0.627 140 A CB -1.085 17.551 19.000 -0.606 0.000 0.815 140 A HN 0.587 nan 8.150 nan 0.000 0.443 141 A N -1.456 121.278 122.820 -0.143 0.000 2.066 141 A HA -0.052 4.270 4.320 0.003 0.000 0.218 141 A C 2.203 179.801 177.584 0.023 0.000 1.157 141 A CA 1.355 53.414 52.037 0.037 0.000 0.670 141 A CB -1.021 18.012 19.000 0.055 0.000 0.804 141 A HN 0.562 nan 8.150 nan 0.000 0.453 142 C N -1.359 117.925 119.300 -0.027 0.000 2.462 142 C HA -0.044 4.418 4.460 0.003 0.000 0.278 142 C C 2.365 177.473 174.990 0.196 0.000 1.253 142 C CA 0.797 59.862 59.018 0.078 0.000 1.713 142 C CB -1.448 26.342 27.740 0.083 0.000 2.049 142 C HN 0.654 nan 8.230 nan 0.000 0.477 143 F N 1.400 121.348 119.950 -0.004 0.000 2.202 143 F HA -0.082 4.447 4.527 0.003 0.000 0.301 143 F C 2.173 177.970 175.800 -0.006 0.000 1.082 143 F CA 0.969 58.954 58.000 -0.025 0.000 1.313 143 F CB -1.600 37.293 39.000 -0.178 0.000 1.024 143 F HN 0.234 nan 8.300 nan 0.000 0.495 144 L N -0.464 120.868 121.223 0.182 0.000 2.046 144 L HA -0.236 4.106 4.340 0.003 0.000 0.208 144 L C 2.151 179.094 176.870 0.122 0.000 1.077 144 L CA 1.816 56.743 54.840 0.146 0.000 0.747 144 L CB -0.804 41.350 42.059 0.158 0.000 0.896 144 L HN 0.051 nan 8.230 nan 0.000 0.432 145 D N -0.432 120.037 120.400 0.115 0.000 2.144 145 D HA -0.141 4.501 4.640 0.003 0.000 0.199 145 D C 2.247 178.615 176.300 0.113 0.000 0.984 145 D CA 1.184 55.241 54.000 0.095 0.000 0.834 145 D CB 0.226 41.069 40.800 0.072 0.000 0.955 145 D HN 0.106 nan 8.370 nan 0.000 0.465 146 S N -0.610 115.176 115.700 0.143 0.000 2.338 146 S HA -0.149 4.323 4.470 0.003 0.000 0.218 146 S C 2.052 176.725 174.600 0.121 0.000 1.032 146 S CA 1.024 59.303 58.200 0.132 0.000 0.999 146 S CB -0.265 63.026 63.200 0.153 0.000 0.905 146 S HN 0.320 nan 8.310 nan 0.000 0.439 147 M N 1.303 120.985 119.600 0.137 0.000 2.088 147 M HA -0.217 4.264 4.480 0.003 0.000 0.256 147 M C 2.503 178.856 176.300 0.089 0.000 1.071 147 M CA 1.829 57.203 55.300 0.122 0.000 1.097 147 M CB -0.724 31.940 32.600 0.106 0.000 1.315 147 M HN 0.420 nan 8.290 nan 0.000 0.406 148 A N -0.537 122.329 122.820 0.078 0.000 1.933 148 A HA -0.140 4.181 4.320 0.003 0.000 0.218 148 A C 2.192 179.821 177.584 0.075 0.000 1.175 148 A CA 2.193 54.270 52.037 0.067 0.000 0.628 148 A CB -1.082 17.952 19.000 0.057 0.000 0.814 148 A HN 0.477 nan 8.150 nan 0.000 0.444 149 T N 0.387 114.993 114.554 0.087 0.000 2.746 149 T HA -0.004 4.348 4.350 0.003 0.000 0.267 149 T C 1.124 175.872 174.700 0.081 0.000 1.039 149 T CA 0.879 63.035 62.100 0.094 0.000 1.142 149 T CB -0.318 68.622 68.868 0.119 0.000 0.866 149 T HN 0.317 nan 8.240 nan 0.000 0.444 150 L N 1.795 123.067 121.223 0.081 0.000 2.930 150 L HA 0.187 4.528 4.340 0.003 0.000 0.250 150 L C 1.991 178.906 176.870 0.075 0.000 1.320 150 L CA 0.079 54.963 54.840 0.074 0.000 1.163 150 L CB -1.409 40.696 42.059 0.078 0.000 1.542 150 L HN 0.419 nan 8.230 nan 0.000 0.428 151 G N 0.415 109.261 108.800 0.077 0.000 2.318 151 G HA2 -0.344 3.618 3.960 0.003 0.000 0.276 151 G HA3 -0.344 3.618 3.960 0.003 0.000 0.276 151 G C 0.848 175.818 174.900 0.116 0.000 1.020 151 G CA 0.480 45.639 45.100 0.099 0.000 0.671 151 G HN 0.427 nan 8.290 nan 0.000 0.556 152 L N -0.318 120.949 121.223 0.072 0.000 2.517 152 L HA 0.244 4.586 4.340 0.003 0.000 0.294 152 L C 1.190 178.013 176.870 -0.077 0.000 1.264 152 L CA 0.706 55.548 54.840 0.004 0.000 0.839 152 L CB 0.197 42.285 42.059 0.048 0.000 1.098 152 L HN 0.295 nan 8.230 nan 0.000 0.525 153 A N 2.210 124.836 122.820 -0.322 0.000 2.690 153 A HA 0.661 4.982 4.320 0.003 0.000 0.342 153 A C -0.022 177.314 177.584 -0.412 0.000 1.410 153 A CA -0.209 51.491 52.037 -0.562 0.000 0.958 153 A CB 0.234 18.587 19.000 -1.078 0.000 1.153 153 A HN 0.750 nan 8.150 nan 0.000 0.497 154 A N 1.319 123.882 122.820 -0.428 0.000 2.386 154 A HA 0.904 5.225 4.320 0.003 0.000 0.308 154 A C -1.383 175.690 177.584 -0.852 0.000 1.128 154 A CA -0.521 51.209 52.037 -0.511 0.000 0.789 154 A CB 1.039 19.894 19.000 -0.243 0.000 1.325 154 A HN 0.661 nan 8.150 nan 0.000 0.437 155 Y N -0.483 119.796 120.300 -0.035 0.000 2.386 155 Y HA 0.552 5.104 4.550 0.003 0.000 0.334 155 Y C 0.685 176.680 175.900 0.158 0.000 1.002 155 Y CA -0.490 57.651 58.100 0.069 0.000 1.068 155 Y CB 2.389 41.008 38.460 0.265 0.000 1.203 155 Y HN 0.885 nan 8.280 nan 0.000 0.443 156 G N 1.888 110.743 108.800 0.092 0.000 2.356 156 G HA2 0.521 4.483 3.960 0.003 0.000 0.322 156 G HA3 0.521 4.483 3.960 0.003 0.000 0.322 156 G C -1.907 172.805 174.900 -0.314 0.000 1.125 156 G CA -0.410 44.691 45.100 0.002 0.000 0.885 156 G HN 0.504 nan 8.290 nan 0.000 0.467 157 Y N 0.588 120.896 120.300 0.014 0.000 2.346 157 Y HA 0.629 5.181 4.550 0.003 0.000 0.332 157 Y C 0.633 176.622 175.900 0.149 0.000 0.985 157 Y CA -0.071 58.072 58.100 0.072 0.000 1.112 157 Y CB 2.733 41.343 38.460 0.251 0.000 1.170 157 Y HN 0.922 nan 8.280 nan 0.000 0.447 158 G N 2.340 111.242 108.800 0.170 0.000 2.606 158 G HA2 0.533 4.495 3.960 0.003 0.000 0.300 158 G HA3 0.533 4.495 3.960 0.003 0.000 0.300 158 G C -1.571 173.482 174.900 0.256 0.000 1.360 158 G CA -0.933 44.358 45.100 0.317 0.000 0.783 158 G HN 0.469 nan 8.290 nan 0.000 0.484 159 I N 0.327 121.035 120.570 0.231 0.000 2.662 159 I HA 0.388 4.559 4.170 0.003 0.000 0.291 159 I C 0.602 176.677 176.117 -0.069 0.000 1.046 159 I CA -0.515 60.855 61.300 0.116 0.000 1.361 159 I CB 1.514 39.418 38.000 -0.159 0.000 1.429 159 I HN 0.405 nan 8.210 nan 0.000 0.558 160 R N 4.947 125.423 120.500 -0.041 0.000 2.338 160 R HA 0.366 4.708 4.340 0.003 0.000 0.317 160 R C -1.830 174.432 176.300 -0.062 0.000 0.968 160 R CA -0.469 55.630 56.100 -0.001 0.000 0.849 160 R CB 0.864 31.159 30.300 -0.008 0.000 1.128 160 R HN 0.402 nan 8.270 nan 0.000 0.448 161 Y N 2.609 123.019 120.300 0.183 0.000 2.328 161 Y HA 0.160 4.712 4.550 0.003 0.000 0.337 161 Y C 1.089 177.115 175.900 0.210 0.000 1.008 161 Y CA -0.502 57.691 58.100 0.154 0.000 1.129 161 Y CB 1.946 40.475 38.460 0.114 0.000 1.185 161 Y HN 0.723 nan 8.280 nan 0.000 0.476 162 E N 2.080 122.363 120.200 0.138 0.000 2.107 162 E HA -0.090 4.262 4.350 0.003 0.000 0.191 162 E C 0.185 176.424 176.600 -0.603 0.000 0.982 162 E CA 1.144 57.359 56.400 -0.309 0.000 0.809 162 E CB 0.081 29.497 29.700 -0.474 0.000 0.756 162 E HN 0.607 nan 8.360 nan 0.000 0.459 163 F N -0.243 119.866 119.950 0.265 0.000 2.772 163 F HA 0.316 4.845 4.527 0.003 0.000 0.302 163 F C 1.284 177.191 175.800 0.178 0.000 1.136 163 F CA 0.145 58.275 58.000 0.216 0.000 1.322 163 F CB 0.538 39.611 39.000 0.120 0.000 0.967 163 F HN 0.052 nan 8.300 nan 0.000 0.513 164 G N 1.383 110.334 108.800 0.251 0.000 2.665 164 G HA2 -0.329 3.632 3.960 0.003 0.000 0.326 164 G HA3 -0.329 3.632 3.960 0.003 0.000 0.326 164 G C -0.206 174.635 174.900 -0.100 0.000 1.231 164 G CA 0.514 45.619 45.100 0.008 0.000 0.992 164 G HN 0.260 nan 8.290 nan 0.000 0.549 165 I N 0.502 121.019 120.570 -0.088 0.000 2.842 165 I HA 0.466 4.637 4.170 0.003 0.000 0.297 165 I C 0.237 176.339 176.117 -0.024 0.000 1.380 165 I CA -0.928 60.325 61.300 -0.077 0.000 1.018 165 I CB 1.555 39.405 38.000 -0.250 0.000 1.311 165 I HN 0.792 nan 8.210 nan 0.000 0.439 166 F N 5.011 124.969 119.950 0.014 0.000 2.628 166 F HA 0.065 4.594 4.527 0.003 0.000 0.362 166 F C 0.429 176.267 175.800 0.063 0.000 1.106 166 F CA 0.177 58.206 58.000 0.049 0.000 1.333 166 F CB -0.329 38.698 39.000 0.045 0.000 0.996 166 F HN 0.383 nan 8.300 nan 0.000 0.608 167 N N 1.596 120.446 118.700 0.249 0.000 2.509 167 N HA 0.117 4.858 4.740 0.003 0.000 0.287 167 N C -1.083 174.586 175.510 0.265 0.000 1.121 167 N CA -0.581 52.568 53.050 0.165 0.000 0.977 167 N CB 1.213 39.797 38.487 0.162 0.000 1.167 167 N HN 0.745 nan 8.380 nan 0.000 0.476 168 Q N 2.077 121.999 119.800 0.203 0.000 2.282 168 Q HA 0.339 4.681 4.340 0.003 0.000 0.260 168 Q C -1.430 174.666 176.000 0.159 0.000 0.964 168 Q CA -0.617 55.334 55.803 0.247 0.000 0.880 168 Q CB 1.226 30.117 28.738 0.255 0.000 1.286 168 Q HN 0.397 nan 8.270 nan 0.000 0.445 169 K N 3.688 124.171 120.400 0.138 0.000 2.482 169 K HA 0.427 4.749 4.320 0.003 0.000 0.251 169 K C -1.508 175.127 176.600 0.059 0.000 0.936 169 K CA -0.562 55.774 56.287 0.080 0.000 0.791 169 K CB 1.221 33.770 32.500 0.081 0.000 1.213 169 K HN 0.526 nan 8.250 nan 0.000 0.428 170 I N 4.294 124.876 120.570 0.020 0.000 2.330 170 I HA 0.307 4.478 4.170 0.003 0.000 0.289 170 I C -0.718 175.404 176.117 0.008 0.000 1.001 170 I CA -0.761 60.531 61.300 -0.014 0.000 1.193 170 I CB 0.788 38.744 38.000 -0.073 0.000 1.345 170 I HN 0.614 nan 8.210 nan 0.000 0.461 171 C N 3.929 123.260 119.300 0.051 0.000 2.322 171 C HA 0.605 5.067 4.460 0.003 0.000 0.324 171 C C 1.132 176.206 174.990 0.139 0.000 1.249 171 C CA -0.568 58.495 59.018 0.074 0.000 1.453 171 C CB 0.560 28.344 27.740 0.074 0.000 2.145 171 C HN 1.087 nan 8.230 nan 0.000 0.466 172 G N 2.474 111.336 108.800 0.103 0.000 2.249 172 G HA2 0.095 4.056 3.960 0.003 0.000 0.273 172 G HA3 0.095 4.056 3.960 0.003 0.000 0.273 172 G C 1.040 175.943 174.900 0.004 0.000 1.036 172 G CA 0.763 45.946 45.100 0.139 0.000 0.824 172 G HN 2.405 nan 8.290 nan 0.000 0.504 173 G N -2.641 106.096 108.800 -0.105 0.000 2.212 173 G HA2 -0.293 3.669 3.960 0.003 0.000 0.267 173 G HA3 -0.293 3.669 3.960 0.003 0.000 0.267 173 G C 0.346 174.980 174.900 -0.442 0.000 1.002 173 G CA 0.917 45.840 45.100 -0.296 0.000 0.729 173 G HN 1.216 nan 8.290 nan 0.000 0.517 174 W N -0.449 120.777 121.300 -0.125 0.000 2.627 174 W HA 0.639 5.301 4.660 0.003 0.000 0.339 174 W C 0.477 176.917 176.519 -0.132 0.000 1.058 174 W CA -1.028 56.238 57.345 -0.132 0.000 1.223 174 W CB 1.076 30.479 29.460 -0.096 0.000 1.389 174 W HN 0.182 nan 8.180 nan 0.000 0.541 175 Q N 3.337 123.202 119.800 0.108 0.000 2.286 175 Q HA 0.366 4.708 4.340 0.003 0.000 0.257 175 Q C -0.525 175.516 176.000 0.068 0.000 0.941 175 Q CA -0.065 55.765 55.803 0.046 0.000 0.912 175 Q CB 0.709 29.464 28.738 0.029 0.000 1.192 175 Q HN 0.391 nan 8.270 nan 0.000 0.410 176 M N 3.405 123.043 119.600 0.063 0.000 2.456 176 M HA 0.303 4.784 4.480 0.003 0.000 0.324 176 M C -0.872 175.463 176.300 0.060 0.000 1.124 176 M CA -0.785 54.538 55.300 0.039 0.000 0.959 176 M CB 1.950 34.578 32.600 0.046 0.000 1.692 176 M HN 0.620 nan 8.290 nan 0.000 0.444 177 E N 2.094 122.294 120.200 -0.001 0.000 2.073 177 E HA 0.443 4.795 4.350 0.003 0.000 0.269 177 E C -0.923 175.735 176.600 0.096 0.000 0.917 177 E CA -0.300 56.128 56.400 0.047 0.000 0.757 177 E CB 1.028 30.548 29.700 -0.301 0.000 1.111 177 E HN 0.560 nan 8.360 nan 0.000 0.410 178 E N 1.213 121.509 120.200 0.160 0.000 2.351 178 E HA 0.539 4.891 4.350 0.003 0.000 0.255 178 E C -0.447 176.262 176.600 0.181 0.000 1.188 178 E CA -0.690 55.791 56.400 0.135 0.000 0.940 178 E CB 0.975 30.755 29.700 0.133 0.000 1.094 178 E HN 0.653 nan 8.360 nan 0.000 0.474 179 A N 0.902 123.818 122.820 0.160 0.000 2.312 179 A HA 0.258 4.580 4.320 0.003 0.000 0.328 179 A C -0.869 176.866 177.584 0.252 0.000 1.158 179 A CA -0.543 51.617 52.037 0.204 0.000 0.821 179 A CB 0.921 20.003 19.000 0.137 0.000 1.170 179 A HN 0.558 nan 8.150 nan 0.000 0.490 180 D N 1.702 122.280 120.400 0.296 0.000 2.494 180 D HA 0.258 4.900 4.640 0.003 0.000 0.217 180 D C -0.924 175.598 176.300 0.370 0.000 1.153 180 D CA -0.228 53.941 54.000 0.281 0.000 0.954 180 D CB 0.344 41.259 40.800 0.192 0.000 1.034 180 D HN 0.428 nan 8.370 nan 0.000 0.518 181 D N 3.772 124.370 120.400 0.329 0.000 2.499 181 D HA -0.014 4.628 4.640 0.003 0.000 0.225 181 D C 1.456 177.820 176.300 0.106 0.000 1.124 181 D CA -0.893 53.205 54.000 0.163 0.000 0.938 181 D CB -0.108 40.812 40.800 0.199 0.000 1.014 181 D HN 0.524 nan 8.370 nan 0.000 0.517 182 W N 2.251 123.534 121.300 -0.030 0.000 2.402 182 W HA -0.062 4.600 4.660 0.003 0.000 0.286 182 W C 0.496 177.007 176.519 -0.013 0.000 1.221 182 W CA -0.063 57.286 57.345 0.007 0.000 1.257 182 W CB -0.829 28.639 29.460 0.014 0.000 1.120 182 W HN 0.210 nan 8.180 nan 0.000 0.551 183 L N 1.288 122.063 121.223 -0.747 0.000 2.622 183 L HA -0.011 4.331 4.340 0.003 0.000 0.233 183 L C 2.915 179.550 176.870 -0.392 0.000 1.156 183 L CA 0.476 54.857 54.840 -0.765 0.000 0.866 183 L CB -0.665 40.851 42.059 -0.905 0.000 0.980 183 L HN -0.023 nan 8.230 nan 0.000 0.448 184 R N 0.166 120.495 120.500 -0.286 0.000 2.153 184 R HA -0.233 4.109 4.340 0.003 0.000 0.252 184 R C 0.399 176.388 176.300 -0.520 0.000 1.158 184 R CA 1.856 57.737 56.100 -0.365 0.000 0.975 184 R CB -0.005 30.087 30.300 -0.347 0.000 0.871 184 R HN 0.337 nan 8.270 nan 0.000 0.450 185 Y N -0.959 119.349 120.300 0.013 0.000 2.696 185 Y HA 0.351 4.903 4.550 0.003 0.000 0.255 185 Y C 0.448 176.265 175.900 -0.138 0.000 1.103 185 Y CA 0.229 58.330 58.100 0.000 0.000 1.126 185 Y CB 1.306 39.866 38.460 0.166 0.000 1.197 185 Y HN 0.326 nan 8.280 nan 0.000 0.574 186 G N 1.722 110.468 108.800 -0.090 0.000 2.712 186 G HA2 -0.168 3.794 3.960 0.003 0.000 0.683 186 G HA3 -0.168 3.794 3.960 0.003 0.000 0.683 186 G C -1.150 173.706 174.900 -0.074 0.000 1.320 186 G CA -0.660 44.341 45.100 -0.165 0.000 0.847 186 G HN 0.406 nan 8.290 nan 0.000 0.553 187 N N 0.557 119.198 118.700 -0.099 0.000 2.581 187 N HA 0.543 5.285 4.740 0.003 0.000 0.279 187 N C -1.235 174.227 175.510 -0.080 0.000 1.124 187 N CA -1.770 51.292 53.050 0.020 0.000 0.833 187 N CB 2.240 40.672 38.487 -0.090 0.000 1.338 187 N HN 0.208 nan 8.380 nan 0.000 0.533 188 P HA 0.039 nan 4.420 nan 0.000 0.234 188 P C 0.219 177.103 177.300 -0.694 0.000 1.167 188 P CA 0.727 63.444 63.100 -0.639 0.000 0.763 188 P CB -0.019 31.082 31.700 -0.998 0.000 0.835 189 W N 1.401 122.663 121.300 -0.062 0.000 3.278 189 W HA 0.136 4.798 4.660 0.003 0.000 0.308 189 W C 0.946 177.433 176.519 -0.053 0.000 1.253 189 W CA -0.464 56.846 57.345 -0.058 0.000 1.759 189 W CB 0.190 29.648 29.460 -0.003 0.000 1.093 189 W HN 0.023 nan 8.180 nan 0.000 0.648 190 E N 0.650 120.893 120.200 0.072 0.000 2.221 190 E HA 0.485 4.837 4.350 0.003 0.000 0.268 190 E C -0.577 176.040 176.600 0.029 0.000 0.933 190 E CA -1.010 55.427 56.400 0.062 0.000 0.809 190 E CB 1.758 31.506 29.700 0.080 0.000 1.190 190 E HN -0.281 nan 8.360 nan 0.000 0.406 191 K N 1.283 121.695 120.400 0.020 0.000 2.502 191 K HA 0.379 4.701 4.320 0.003 0.000 0.254 191 K C -1.136 175.473 176.600 0.015 0.000 0.947 191 K CA -0.723 55.560 56.287 -0.007 0.000 0.834 191 K CB 1.885 34.331 32.500 -0.089 0.000 1.112 191 K HN 0.728 nan 8.250 nan 0.000 0.427 192 A N 4.385 127.211 122.820 0.009 0.000 2.522 192 A HA 0.144 4.466 4.320 0.003 0.000 0.256 192 A C 0.084 177.531 177.584 -0.228 0.000 1.086 192 A CA 0.110 51.979 52.037 -0.279 0.000 0.763 192 A CB 0.127 19.020 19.000 -0.179 0.000 1.024 192 A HN 0.524 nan 8.150 nan 0.000 0.502 193 R N 4.383 124.731 120.500 -0.253 0.000 2.790 193 R HA 0.201 4.543 4.340 0.003 0.000 0.274 193 R C -2.221 174.030 176.300 -0.082 0.000 1.334 193 R CA -1.908 54.167 56.100 -0.040 0.000 1.543 193 R CB 0.642 31.066 30.300 0.208 0.000 1.154 193 R HN 0.583 nan 8.270 nan 0.000 0.601 194 P HA -0.172 nan 4.420 nan 0.000 0.218 194 P C 0.207 177.440 177.300 -0.111 0.000 1.148 194 P CA 1.219 64.254 63.100 -0.108 0.000 0.822 194 P CB 0.442 32.081 31.700 -0.102 0.000 0.784 195 E N -0.787 119.286 120.200 -0.212 0.000 2.396 195 E HA -0.124 4.228 4.350 0.003 0.000 0.200 195 E C 0.626 176.905 176.600 -0.535 0.000 1.023 195 E CA 0.913 57.074 56.400 -0.399 0.000 0.857 195 E CB -0.918 28.407 29.700 -0.625 0.000 0.775 195 E HN 0.377 nan 8.360 nan 0.000 0.525 196 F N 0.510 120.471 119.950 0.019 0.000 2.855 196 F HA 0.247 4.775 4.527 0.003 0.000 0.317 196 F C 0.372 176.242 175.800 0.118 0.000 1.169 196 F CA -0.572 57.469 58.000 0.069 0.000 1.299 196 F CB 0.244 39.294 39.000 0.083 0.000 0.962 196 F HN -0.282 nan 8.300 nan 0.000 0.506 197 T N 2.917 117.572 114.554 0.169 0.000 2.937 197 T HA 0.404 4.756 4.350 0.003 0.000 0.316 197 T C -0.068 174.720 174.700 0.146 0.000 1.079 197 T CA 0.532 62.733 62.100 0.168 0.000 1.131 197 T CB 0.444 69.361 68.868 0.081 0.000 1.000 197 T HN 0.073 nan 8.240 nan 0.000 0.549 198 L N 4.271 125.555 121.223 0.101 0.000 2.445 198 L HA 0.477 4.819 4.340 0.003 0.000 0.262 198 L C -2.328 174.528 176.870 -0.022 0.000 0.974 198 L CA -2.478 52.373 54.840 0.018 0.000 0.822 198 L CB 2.392 44.411 42.059 -0.067 0.000 1.339 198 L HN 0.422 nan 8.230 nan 0.000 0.409 199 P HA 0.132 nan 4.420 nan 0.000 0.271 199 P C -0.985 176.323 177.300 0.013 0.000 1.216 199 P CA -0.114 63.010 63.100 0.041 0.000 0.776 199 P CB 1.834 33.617 31.700 0.138 0.000 0.881 200 V N 4.091 124.009 119.914 0.006 0.000 2.604 200 V HA 0.285 4.406 4.120 0.003 0.000 0.305 200 V C 0.112 176.173 176.094 -0.054 0.000 1.043 200 V CA -0.593 61.668 62.300 -0.064 0.000 0.888 200 V CB 1.534 33.260 31.823 -0.163 0.000 0.995 200 V HN 0.607 nan 8.190 nan 0.000 0.429 201 H N 4.360 123.315 119.070 -0.193 0.000 2.541 201 H HA 0.466 5.024 4.556 0.003 0.000 0.316 201 H C -1.300 173.863 175.328 -0.276 0.000 1.043 201 H CA -0.171 55.725 56.048 -0.254 0.000 1.232 201 H CB 1.383 30.862 29.762 -0.471 0.000 1.406 201 H HN 0.417 nan 8.280 nan 0.000 0.469 202 F N 1.889 121.953 119.950 0.191 0.000 2.507 202 F HA 0.215 4.743 4.527 0.003 0.000 0.327 202 F C 0.051 176.066 175.800 0.358 0.000 1.068 202 F CA -0.461 57.716 58.000 0.294 0.000 0.965 202 F CB 0.683 39.863 39.000 0.299 0.000 1.192 202 F HN 0.577 nan 8.300 nan 0.000 0.476 203 Y N 0.122 120.718 120.300 0.492 0.000 2.914 203 Y HA 0.063 4.614 4.550 0.003 0.000 0.465 203 Y C 1.110 177.203 175.900 0.322 0.000 1.209 203 Y CA 0.619 58.924 58.100 0.341 0.000 2.458 203 Y CB -1.708 36.864 38.460 0.187 0.000 1.245 203 Y HN 1.142 nan 8.280 nan 0.000 0.635 204 G N 0.046 109.071 108.800 0.374 0.000 2.396 204 G HA2 0.326 4.287 3.960 0.003 0.000 0.254 204 G HA3 0.326 4.287 3.960 0.003 0.000 0.254 204 G C -1.112 173.959 174.900 0.284 0.000 1.248 204 G CA 0.128 45.339 45.100 0.185 0.000 1.033 204 G HN 1.381 nan 8.290 nan 0.000 0.502 205 R N -1.733 118.932 120.500 0.276 0.000 2.664 205 R HA 0.638 4.980 4.340 0.003 0.000 0.266 205 R C -2.005 174.470 176.300 0.292 0.000 1.046 205 R CA -0.819 55.429 56.100 0.247 0.000 0.885 205 R CB 1.544 31.934 30.300 0.150 0.000 1.254 205 R HN 0.981 nan 8.270 nan 0.000 0.465 206 V N 2.150 122.205 119.914 0.235 0.000 2.417 206 V HA 0.345 4.466 4.120 0.003 0.000 0.291 206 V C -0.399 175.791 176.094 0.160 0.000 1.024 206 V CA -0.575 61.835 62.300 0.183 0.000 0.861 206 V CB 1.518 33.390 31.823 0.082 0.000 0.985 206 V HN 0.778 nan 8.190 nan 0.000 0.436 207 E N 3.523 123.789 120.200 0.110 0.000 2.109 207 E HA 0.302 4.654 4.350 0.003 0.000 0.278 207 E C -0.569 176.073 176.600 0.070 0.000 0.954 207 E CA -0.564 55.902 56.400 0.109 0.000 0.779 207 E CB 0.546 30.290 29.700 0.073 0.000 1.093 207 E HN 0.700 nan 8.360 nan 0.000 0.401 208 H N 3.805 122.891 119.070 0.027 0.000 2.969 208 H HA 0.102 4.660 4.556 0.003 0.000 0.269 208 H C -0.439 174.898 175.328 0.014 0.000 1.223 208 H CA -0.065 55.993 56.048 0.017 0.000 1.400 208 H CB 0.248 30.016 29.762 0.010 0.000 1.500 208 H HN 0.383 nan 8.280 nan 0.000 0.486 209 T N 0.491 115.084 114.554 0.065 0.000 2.788 209 T HA 0.226 4.578 4.350 0.003 0.000 0.296 209 T C 1.164 175.884 174.700 0.035 0.000 1.009 209 T CA -0.191 61.937 62.100 0.047 0.000 0.949 209 T CB 1.608 70.493 68.868 0.027 0.000 0.946 209 T HN 0.728 nan 8.240 nan 0.000 0.453 210 S N 2.628 118.353 115.700 0.041 0.000 4.067 210 S HA -0.460 4.012 4.470 0.003 0.000 0.505 210 S C 1.455 176.072 174.600 0.028 0.000 1.684 210 S CA 1.897 60.115 58.200 0.031 0.000 4.003 210 S CB -1.720 61.493 63.200 0.021 0.000 1.163 210 S HN 0.812 nan 8.310 nan 0.000 0.458 211 Q N 3.347 123.158 119.800 0.018 0.000 2.378 211 Q HA 0.541 4.883 4.340 0.003 0.000 0.216 211 Q C 0.723 176.729 176.000 0.009 0.000 0.892 211 Q CA 1.231 57.043 55.803 0.014 0.000 0.931 211 Q CB 0.692 29.435 28.738 0.008 0.000 1.086 211 Q HN 1.130 nan 8.270 nan 0.000 0.528 212 G N -1.188 107.611 108.800 -0.001 0.000 2.706 212 G HA2 0.686 4.648 3.960 0.003 0.000 0.307 212 G HA3 0.686 4.648 3.960 0.003 0.000 0.307 212 G C -1.621 173.230 174.900 -0.081 0.000 1.307 212 G CA -0.382 44.699 45.100 -0.031 0.000 0.790 212 G HN 0.187 nan 8.290 nan 0.000 0.503 213 A N -0.583 122.122 122.820 -0.191 0.000 2.281 213 A HA 0.867 5.188 4.320 0.003 0.000 0.329 213 A C -0.253 177.237 177.584 -0.157 0.000 1.122 213 A CA -0.477 51.347 52.037 -0.356 0.000 0.850 213 A CB 1.146 19.747 19.000 -0.664 0.000 1.207 213 A HN 0.518 nan 8.150 nan 0.000 0.495 214 K N -0.111 120.236 120.400 -0.089 0.000 2.427 214 K HA 0.286 4.608 4.320 0.003 0.000 0.252 214 K C -1.959 174.698 176.600 0.096 0.000 0.931 214 K CA -0.284 56.003 56.287 0.000 0.000 0.793 214 K CB 2.281 34.786 32.500 0.009 0.000 1.211 214 K HN 0.687 nan 8.250 nan 0.000 0.426 215 W N 5.392 126.634 121.300 -0.096 0.000 2.282 215 W HA 0.364 5.026 4.660 0.003 0.000 0.322 215 W C -0.798 175.715 176.519 -0.010 0.000 1.011 215 W CA -0.747 56.557 57.345 -0.068 0.000 1.392 215 W CB 0.149 29.543 29.460 -0.110 0.000 1.215 215 W HN 0.306 nan 8.180 nan 0.000 0.394 216 V N 2.384 122.312 119.914 0.023 0.000 3.267 216 V HA 0.547 4.669 4.120 0.003 0.000 0.317 216 V C 0.105 176.140 176.094 -0.098 0.000 1.131 216 V CA -0.812 61.455 62.300 -0.055 0.000 1.031 216 V CB 1.286 33.115 31.823 0.009 0.000 1.159 216 V HN 0.460 nan 8.190 nan 0.000 0.454 217 D N 0.218 120.578 120.400 -0.068 0.000 2.701 217 D HA -0.144 4.497 4.640 0.003 0.000 0.235 217 D C 0.538 176.793 176.300 -0.076 0.000 1.155 217 D CA 1.460 55.429 54.000 -0.051 0.000 0.649 217 D CB -1.477 39.323 40.800 -0.001 0.000 1.050 217 D HN 1.215 nan 8.370 nan 0.000 0.425 218 T N -2.864 111.586 114.554 -0.174 0.000 2.910 218 T HA 0.341 4.692 4.350 0.003 0.000 0.293 218 T C 0.386 175.017 174.700 -0.115 0.000 1.015 218 T CA -0.872 61.111 62.100 -0.195 0.000 1.094 218 T CB 2.290 70.897 68.868 -0.435 0.000 0.968 218 T HN 0.258 nan 8.240 nan 0.000 0.521 219 Q N 0.951 120.760 119.800 0.015 0.000 2.306 219 Q HA 0.534 4.876 4.340 0.003 0.000 0.241 219 Q C -1.416 174.584 176.000 -0.000 0.000 0.948 219 Q CA -0.785 55.047 55.803 0.050 0.000 0.886 219 Q CB 0.928 29.758 28.738 0.154 0.000 1.227 219 Q HN 0.619 nan 8.270 nan 0.000 0.457 220 V N 3.496 123.408 119.914 -0.003 0.000 2.656 220 V HA 0.463 4.585 4.120 0.003 0.000 0.307 220 V C -0.555 175.619 176.094 0.134 0.000 1.051 220 V CA -0.720 61.536 62.300 -0.073 0.000 0.893 220 V CB 1.941 33.634 31.823 -0.218 0.000 0.999 220 V HN 0.692 nan 8.190 nan 0.000 0.426 221 V N 5.100 125.146 119.914 0.221 0.000 2.994 221 V HA 0.571 4.693 4.120 0.003 0.000 0.318 221 V C -0.300 175.929 176.094 0.225 0.000 1.085 221 V CA -0.626 61.844 62.300 0.282 0.000 0.998 221 V CB 2.199 34.296 31.823 0.457 0.000 1.063 221 V HN 0.608 nan 8.190 nan 0.000 0.447 222 L N 2.188 123.549 121.223 0.231 0.000 2.334 222 L HA 0.807 5.148 4.340 0.003 0.000 0.270 222 L C -0.112 176.967 176.870 0.348 0.000 1.018 222 L CA -0.747 54.210 54.840 0.196 0.000 0.811 222 L CB 1.851 43.991 42.059 0.135 0.000 1.271 222 L HN 0.694 nan 8.230 nan 0.000 0.443 223 A N 3.391 126.344 122.820 0.222 0.000 2.323 223 A HA 0.571 4.893 4.320 0.003 0.000 0.305 223 A C -0.637 177.173 177.584 0.377 0.000 1.275 223 A CA -0.428 51.747 52.037 0.230 0.000 0.804 223 A CB 1.056 19.743 19.000 -0.520 0.000 1.152 223 A HN 0.770 nan 8.150 nan 0.000 0.487 224 M N 6.185 126.063 119.600 0.463 0.000 2.157 224 M HA 0.490 4.971 4.480 0.003 0.000 0.354 224 M C -2.569 173.942 176.300 0.351 0.000 1.170 224 M CA -1.875 53.631 55.300 0.343 0.000 1.060 224 M CB 2.037 34.733 32.600 0.162 0.000 1.615 224 M HN 0.404 nan 8.290 nan 0.000 0.460 225 P HA 0.295 nan 4.420 nan 0.000 0.287 225 P C -2.002 175.148 177.300 -0.250 0.000 1.270 225 P CA -0.279 62.674 63.100 -0.245 0.000 0.844 225 P CB 1.099 32.419 31.700 -0.633 0.000 1.068 226 Y N -0.028 120.142 120.300 -0.216 0.000 2.373 226 Y HA 0.287 4.839 4.550 0.003 0.000 0.336 226 Y C 0.003 175.791 175.900 -0.187 0.000 0.979 226 Y CA -0.297 57.721 58.100 -0.138 0.000 1.080 226 Y CB 1.640 40.051 38.460 -0.082 0.000 1.190 226 Y HN 0.200 nan 8.280 nan 0.000 0.446 227 D N 2.487 122.871 120.400 -0.027 0.000 2.317 227 D HA 0.356 4.997 4.640 0.003 0.000 0.234 227 D C -0.726 175.511 176.300 -0.105 0.000 1.112 227 D CA -0.127 53.808 54.000 -0.109 0.000 0.840 227 D CB 1.419 42.100 40.800 -0.197 0.000 1.078 227 D HN 0.383 nan 8.370 nan 0.000 0.486 228 T N 3.349 117.853 114.554 -0.084 0.000 2.812 228 T HA 0.462 4.814 4.350 0.003 0.000 0.282 228 T C -2.531 172.126 174.700 -0.072 0.000 0.990 228 T CA -1.568 60.506 62.100 -0.043 0.000 0.960 228 T CB 2.190 71.073 68.868 0.026 0.000 0.948 228 T HN 0.157 nan 8.240 nan 0.000 0.438 229 P HA 0.293 nan 4.420 nan 0.000 0.280 229 P C -0.643 176.677 177.300 0.033 0.000 1.244 229 P CA -0.511 62.558 63.100 -0.052 0.000 0.784 229 P CB 0.939 32.511 31.700 -0.213 0.000 0.913 230 V N 2.397 122.355 119.914 0.073 0.000 2.328 230 V HA 0.454 4.576 4.120 0.003 0.000 0.278 230 V C -2.087 174.035 176.094 0.047 0.000 1.021 230 V CA -2.625 59.696 62.300 0.035 0.000 0.838 230 V CB 1.127 32.972 31.823 0.038 0.000 0.999 230 V HN 0.468 nan 8.190 nan 0.000 0.447 231 P HA 0.521 nan 4.420 nan 0.000 0.280 231 P C 0.056 177.371 177.300 0.026 0.000 1.272 231 P CA -0.036 63.080 63.100 0.027 0.000 0.819 231 P CB 1.877 33.581 31.700 0.007 0.000 1.122 232 G N -0.660 108.152 108.800 0.019 0.000 2.432 232 G HA2 0.275 4.236 3.960 0.003 0.000 0.331 232 G HA3 0.275 4.236 3.960 0.003 0.000 0.331 232 G C -1.221 173.690 174.900 0.020 0.000 1.170 232 G CA -0.625 44.501 45.100 0.044 0.000 0.943 232 G HN 0.409 nan 8.290 nan 0.000 0.483 233 Y N 1.214 121.509 120.300 -0.009 0.000 2.610 233 Y HA -0.022 4.530 4.550 0.003 0.000 0.344 233 Y C 1.609 177.496 175.900 -0.023 0.000 1.249 233 Y CA 0.594 58.681 58.100 -0.021 0.000 1.909 233 Y CB -0.423 38.024 38.460 -0.022 0.000 1.758 233 Y HN 0.788 nan 8.280 nan 0.000 0.416 234 R N 1.390 121.556 120.500 -0.556 0.000 3.953 234 R HA -0.321 4.021 4.340 0.003 0.000 0.340 234 R C 0.349 176.541 176.300 -0.180 0.000 1.195 234 R CA 1.396 57.252 56.100 -0.408 0.000 0.929 234 R CB -1.968 27.996 30.300 -0.560 0.000 1.402 234 R HN 0.893 nan 8.270 nan 0.000 0.540 235 N N -0.737 117.902 118.700 -0.101 0.000 2.376 235 N HA 0.028 4.770 4.740 0.003 0.000 0.249 235 N C 0.008 175.485 175.510 -0.055 0.000 1.140 235 N CA -0.128 52.894 53.050 -0.047 0.000 0.870 235 N CB 0.326 38.813 38.487 0.001 0.000 1.124 235 N HN 0.089 nan 8.380 nan 0.000 0.505 236 N N 0.037 118.696 118.700 -0.069 0.000 2.656 236 N HA -0.197 4.545 4.740 0.003 0.000 0.244 236 N C 0.349 175.818 175.510 -0.068 0.000 1.151 236 N CA 1.286 54.298 53.050 -0.063 0.000 0.865 236 N CB -1.150 37.296 38.487 -0.068 0.000 1.177 236 N HN 0.613 nan 8.380 nan 0.000 0.586 237 V N -2.758 117.119 119.914 -0.062 0.000 3.170 237 V HA 0.721 4.843 4.120 0.003 0.000 0.309 237 V C 0.573 176.649 176.094 -0.029 0.000 1.071 237 V CA -0.526 61.726 62.300 -0.080 0.000 1.063 237 V CB 2.150 33.942 31.823 -0.051 0.000 1.123 237 V HN -0.132 nan 8.190 nan 0.000 0.464 238 V N 3.058 122.959 119.914 -0.021 0.000 2.653 238 V HA 0.489 4.611 4.120 0.003 0.000 0.298 238 V C -0.521 175.626 176.094 0.088 0.000 1.097 238 V CA -0.563 61.786 62.300 0.083 0.000 0.908 238 V CB 1.484 33.409 31.823 0.170 0.000 1.024 238 V HN 1.099 nan 8.190 nan 0.000 0.435 239 N N 1.800 120.552 118.700 0.086 0.000 2.818 239 N HA 0.617 5.359 4.740 0.003 0.000 0.312 239 N C -0.277 175.351 175.510 0.198 0.000 1.368 239 N CA -0.393 52.673 53.050 0.026 0.000 0.817 239 N CB 0.713 39.143 38.487 -0.094 0.000 1.116 239 N HN 0.595 nan 8.380 nan 0.000 0.519 240 T N 0.635 115.239 114.554 0.083 0.000 2.916 240 T HA 0.417 4.769 4.350 0.003 0.000 0.298 240 T C -0.869 173.851 174.700 0.034 0.000 1.031 240 T CA -0.469 61.765 62.100 0.224 0.000 0.993 240 T CB 1.202 70.358 68.868 0.480 0.000 1.045 240 T HN 0.178 nan 8.240 nan 0.000 0.454 241 M N 3.310 122.890 119.600 -0.033 0.000 2.167 241 M HA 0.569 5.050 4.480 0.003 0.000 0.333 241 M C -0.805 175.341 176.300 -0.256 0.000 1.030 241 M CA -0.799 54.380 55.300 -0.203 0.000 0.963 241 M CB 0.933 33.422 32.600 -0.185 0.000 1.589 241 M HN 0.455 nan 8.290 nan 0.000 0.431 242 R N 5.064 125.293 120.500 -0.451 0.000 2.371 242 R HA 0.548 4.890 4.340 0.003 0.000 0.312 242 R C -2.048 173.902 176.300 -0.585 0.000 0.980 242 R CA -0.406 55.378 56.100 -0.528 0.000 0.867 242 R CB 0.778 30.637 30.300 -0.735 0.000 1.163 242 R HN 0.545 nan 8.270 nan 0.000 0.492 243 L N 4.472 125.464 121.223 -0.386 0.000 2.334 243 L HA 0.542 4.884 4.340 0.003 0.000 0.276 243 L C -0.736 176.021 176.870 -0.189 0.000 1.014 243 L CA -0.850 53.840 54.840 -0.250 0.000 0.815 243 L CB 1.293 43.310 42.059 -0.071 0.000 1.268 243 L HN 0.686 nan 8.230 nan 0.000 0.428 244 W N 1.340 122.763 121.300 0.205 0.000 2.329 244 W HA 0.491 5.153 4.660 0.003 0.000 0.312 244 W C 0.496 177.257 176.519 0.403 0.000 1.054 244 W CA -0.421 57.089 57.345 0.274 0.000 1.245 244 W CB 1.606 31.140 29.460 0.125 0.000 1.255 244 W HN 0.408 nan 8.180 nan 0.000 0.436 245 S N 2.146 118.215 115.700 0.616 0.000 2.513 245 S HA 0.659 5.131 4.470 0.003 0.000 0.276 245 S C 0.133 175.036 174.600 0.504 0.000 1.254 245 S CA -0.613 57.862 58.200 0.458 0.000 1.053 245 S CB 0.488 63.968 63.200 0.467 0.000 0.958 245 S HN 0.486 nan 8.310 nan 0.000 0.491 246 A N 4.633 127.600 122.820 0.246 0.000 2.327 246 A HA 0.638 4.959 4.320 0.003 0.000 0.283 246 A C -0.153 177.530 177.584 0.165 0.000 1.127 246 A CA -0.447 51.685 52.037 0.158 0.000 0.810 246 A CB 0.479 19.280 19.000 -0.331 0.000 1.066 246 A HN 0.769 nan 8.150 nan 0.000 0.492 247 K N 1.124 121.639 120.400 0.192 0.000 2.501 247 K HA 0.553 4.875 4.320 0.003 0.000 0.252 247 K C -0.478 176.186 176.600 0.107 0.000 0.934 247 K CA -0.639 55.726 56.287 0.130 0.000 0.797 247 K CB 2.350 34.923 32.500 0.122 0.000 1.270 247 K HN 0.896 nan 8.250 nan 0.000 0.431 248 A N 3.547 126.416 122.820 0.081 0.000 2.531 248 A HA 0.200 4.521 4.320 0.003 0.000 0.236 248 A C -2.237 175.283 177.584 -0.106 0.000 1.062 248 A CA -0.531 51.539 52.037 0.055 0.000 0.760 248 A CB -0.642 18.407 19.000 0.082 0.000 0.995 248 A HN 0.328 nan 8.150 nan 0.000 0.501 249 P HA 0.099 nan 4.420 nan 0.000 0.268 249 P C -0.175 176.664 177.300 -0.768 0.000 1.205 249 P CA 0.186 63.058 63.100 -0.380 0.000 0.771 249 P CB 0.366 31.902 31.700 -0.273 0.000 0.858 250 N N 1.401 119.811 118.700 -0.483 0.000 2.401 250 N HA 0.034 4.776 4.740 0.003 0.000 0.264 250 N C -0.204 175.147 175.510 -0.265 0.000 1.238 250 N CA -0.112 52.688 53.050 -0.417 0.000 0.889 250 N CB 0.272 38.643 38.487 -0.192 0.000 1.196 250 N HN 0.365 nan 8.380 nan 0.000 0.511 251 D N 0.274 120.470 120.400 -0.340 0.000 2.183 251 D HA -0.074 4.568 4.640 0.003 0.000 0.203 251 D C 0.203 176.549 176.300 0.077 0.000 0.969 251 D CA 0.677 54.615 54.000 -0.104 0.000 0.842 251 D CB -0.048 40.714 40.800 -0.063 0.000 0.957 251 D HN 0.184 nan 8.370 nan 0.000 0.484 252 F N 2.044 122.015 119.950 0.036 0.000 2.495 252 F HA 0.123 4.651 4.527 0.003 0.000 0.339 252 F C 1.268 177.089 175.800 0.034 0.000 1.226 252 F CA -0.228 57.795 58.000 0.038 0.000 0.998 252 F CB -1.323 37.698 39.000 0.034 0.000 1.180 252 F HN 0.069 nan 8.300 nan 0.000 0.611 253 N N 0.248 119.070 118.700 0.205 0.000 2.609 253 N HA 0.036 4.778 4.740 0.003 0.000 0.353 253 N C 0.170 175.733 175.510 0.088 0.000 0.565 253 N CA 0.019 53.139 53.050 0.116 0.000 1.543 253 N CB 0.218 38.754 38.487 0.081 0.000 1.565 253 N HN 0.086 nan 8.380 nan 0.000 1.799 254 L N -0.527 120.755 121.223 0.098 0.000 2.746 254 L HA 0.434 4.776 4.340 0.003 0.000 0.230 254 L C 0.350 177.340 176.870 0.199 0.000 1.034 254 L CA 0.245 55.143 54.840 0.097 0.000 0.922 254 L CB -0.265 41.839 42.059 0.074 0.000 1.496 254 L HN 0.240 nan 8.230 nan 0.000 0.498 255 K N 1.379 121.886 120.400 0.177 0.000 2.336 255 K HA 0.134 4.455 4.320 0.003 0.000 0.290 255 K C -0.504 176.217 176.600 0.202 0.000 1.067 255 K CA 0.795 57.193 56.287 0.185 0.000 0.962 255 K CB 0.297 32.854 32.500 0.095 0.000 1.008 255 K HN 0.240 nan 8.250 nan 0.000 0.467 256 D N 2.619 123.169 120.400 0.251 0.000 4.385 256 D HA -0.110 4.532 4.640 0.003 0.000 0.163 256 D C -0.615 175.864 176.300 0.298 0.000 0.395 256 D CA 0.138 54.250 54.000 0.186 0.000 0.606 256 D CB -0.521 40.391 40.800 0.186 0.000 1.628 256 D HN 0.501 nan 8.370 nan 0.000 0.070 257 F N -0.151 119.824 119.950 0.041 0.000 2.988 257 F HA -0.258 4.271 4.527 0.003 0.000 0.287 257 F C 1.205 177.020 175.800 0.024 0.000 0.781 257 F CA 1.299 59.316 58.000 0.029 0.000 1.221 257 F CB -2.516 36.496 39.000 0.020 0.000 1.392 257 F HN 0.309 nan 8.300 nan 0.000 0.425 258 N N 0.626 119.438 118.700 0.185 0.000 2.220 258 N HA 0.076 4.817 4.740 0.003 0.000 0.182 258 N C 1.048 176.604 175.510 0.076 0.000 1.023 258 N CA 1.260 54.367 53.050 0.094 0.000 0.856 258 N CB -0.955 37.557 38.487 0.043 0.000 0.997 258 N HN 0.284 nan 8.380 nan 0.000 0.429 259 V N -3.207 116.762 119.914 0.092 0.000 3.857 259 V HA 0.578 4.700 4.120 0.003 0.000 0.275 259 V C 1.866 177.972 176.094 0.019 0.000 0.992 259 V CA -0.133 62.209 62.300 0.071 0.000 0.998 259 V CB -0.592 31.297 31.823 0.111 0.000 1.234 259 V HN 0.588 nan 8.190 nan 0.000 0.438 260 G N -0.149 108.649 108.800 -0.002 0.000 5.426 260 G HA2 -0.263 3.699 3.960 0.003 0.000 0.297 260 G HA3 -0.263 3.699 3.960 0.003 0.000 0.297 260 G C 1.234 176.097 174.900 -0.060 0.000 1.422 260 G CA 0.903 45.969 45.100 -0.056 0.000 0.938 260 G HN 1.767 nan 8.290 nan 0.000 0.754 261 G N -0.722 108.048 108.800 -0.049 0.000 2.433 261 G HA2 0.205 4.167 3.960 0.003 0.000 0.216 261 G HA3 0.205 4.167 3.960 0.003 0.000 0.216 261 G C 0.544 175.446 174.900 0.003 0.000 1.186 261 G CA 1.820 46.901 45.100 -0.032 0.000 0.779 261 G HN 1.063 nan 8.290 nan 0.000 0.543 262 Y N -0.326 119.953 120.300 -0.035 0.000 2.307 262 Y HA 0.336 4.888 4.550 0.003 0.000 0.323 262 Y C 0.684 176.558 175.900 -0.044 0.000 1.100 262 Y CA -1.808 56.271 58.100 -0.036 0.000 1.140 262 Y CB 1.185 39.623 38.460 -0.037 0.000 1.159 262 Y HN 0.172 nan 8.280 nan 0.000 0.436 263 I N 1.561 122.276 120.570 0.241 0.000 3.605 263 I HA -0.029 4.142 4.170 0.003 0.000 0.301 263 I C 1.489 177.710 176.117 0.172 0.000 1.267 263 I CA 0.660 62.046 61.300 0.143 0.000 1.236 263 I CB -0.137 37.907 38.000 0.073 0.000 1.010 263 I HN 0.681 nan 8.210 nan 0.000 0.491 264 Q N 1.790 121.756 119.800 0.276 0.000 2.508 264 Q HA -0.004 4.337 4.340 0.003 0.000 0.214 264 Q C 1.555 177.505 176.000 -0.083 0.000 0.979 264 Q CA 0.973 56.792 55.803 0.026 0.000 0.911 264 Q CB -0.273 28.304 28.738 -0.269 0.000 0.969 264 Q HN 0.624 nan 8.270 nan 0.000 0.504 265 A N 0.805 123.551 122.820 -0.123 0.000 2.324 265 A HA 0.212 4.533 4.320 0.003 0.000 0.240 265 A C 1.373 178.775 177.584 -0.302 0.000 1.347 265 A CA -0.094 51.777 52.037 -0.277 0.000 1.036 265 A CB -0.136 18.624 19.000 -0.399 0.000 0.917 265 A HN 0.269 nan 8.150 nan 0.000 0.519 266 V N -0.847 119.003 119.914 -0.106 0.000 3.052 266 V HA -0.090 4.032 4.120 0.003 0.000 0.254 266 V C 2.215 178.299 176.094 -0.016 0.000 1.100 266 V CA 1.228 63.520 62.300 -0.013 0.000 1.112 266 V CB -0.302 31.542 31.823 0.035 0.000 0.738 266 V HN 0.734 nan 8.190 nan 0.000 0.469 267 L N -0.142 121.046 121.223 -0.058 0.000 2.044 267 L HA -0.131 4.211 4.340 0.003 0.000 0.205 267 L C 2.466 179.304 176.870 -0.053 0.000 1.075 267 L CA 1.870 56.681 54.840 -0.048 0.000 0.747 267 L CB -0.674 41.346 42.059 -0.064 0.000 0.903 267 L HN 0.348 nan 8.230 nan 0.000 0.435 268 D N 0.440 120.769 120.400 -0.120 0.000 2.160 268 D HA -0.292 4.350 4.640 0.003 0.000 0.189 268 D C 2.254 178.600 176.300 0.076 0.000 1.003 268 D CA 1.556 55.513 54.000 -0.072 0.000 0.846 268 D CB -0.113 40.548 40.800 -0.230 0.000 0.949 268 D HN 0.021 nan 8.370 nan 0.000 0.446 269 R N 0.314 120.906 120.500 0.154 0.000 2.136 269 R HA -0.174 4.168 4.340 0.003 0.000 0.242 269 R C 2.134 178.526 176.300 0.153 0.000 1.131 269 R CA 1.747 58.022 56.100 0.292 0.000 0.937 269 R CB -0.892 29.599 30.300 0.318 0.000 0.863 269 R HN 0.424 nan 8.270 nan 0.000 0.435 270 N N 0.212 118.967 118.700 0.092 0.000 2.416 270 N HA -0.040 4.702 4.740 0.003 0.000 0.177 270 N C 1.503 177.045 175.510 0.053 0.000 1.036 270 N CA 0.442 53.533 53.050 0.068 0.000 0.901 270 N CB 0.181 38.697 38.487 0.048 0.000 0.976 270 N HN 0.239 nan 8.380 nan 0.000 0.444 271 L N 0.104 121.352 121.223 0.042 0.000 2.592 271 L HA 0.171 4.512 4.340 0.003 0.000 0.227 271 L C 1.970 178.857 176.870 0.029 0.000 1.127 271 L CA -0.185 54.671 54.840 0.026 0.000 0.884 271 L CB 0.068 42.132 42.059 0.009 0.000 1.065 271 L HN 0.050 nan 8.230 nan 0.000 0.457 272 A N 0.321 123.179 122.820 0.063 0.000 1.859 272 A HA -0.065 4.257 4.320 0.003 0.000 0.212 272 A C 1.991 179.593 177.584 0.030 0.000 1.238 272 A CA 0.468 52.548 52.037 0.071 0.000 0.613 272 A CB -0.246 18.840 19.000 0.144 0.000 0.904 272 A HN 0.310 nan 8.150 nan 0.000 0.457 273 E N 0.579 120.815 120.200 0.061 0.000 2.333 273 E HA -0.214 4.138 4.350 0.003 0.000 0.200 273 E C 0.747 177.374 176.600 0.044 0.000 1.010 273 E CA 1.271 57.705 56.400 0.056 0.000 0.841 273 E CB -0.455 29.294 29.700 0.082 0.000 0.757 273 E HN 0.903 nan 8.360 nan 0.000 0.508 274 N N -0.134 118.589 118.700 0.038 0.000 2.380 274 N HA 0.134 4.876 4.740 0.003 0.000 0.255 274 N C 1.066 176.605 175.510 0.048 0.000 1.158 274 N CA -0.159 52.927 53.050 0.059 0.000 0.878 274 N CB 0.289 38.822 38.487 0.076 0.000 1.138 274 N HN 0.050 nan 8.380 nan 0.000 0.509 275 I N -0.636 119.908 120.570 -0.043 0.000 2.584 275 I HA -0.087 4.085 4.170 0.003 0.000 0.255 275 I C 1.996 178.036 176.117 -0.128 0.000 1.145 275 I CA 0.734 61.960 61.300 -0.123 0.000 1.462 275 I CB 0.130 37.908 38.000 -0.370 0.000 1.102 275 I HN 0.316 nan 8.210 nan 0.000 0.433 276 S N -0.016 115.615 115.700 -0.115 0.000 2.540 276 S HA 0.114 4.586 4.470 0.003 0.000 0.218 276 S C 1.865 176.515 174.600 0.084 0.000 0.977 276 S CA -0.026 58.132 58.200 -0.070 0.000 0.918 276 S CB 0.004 63.185 63.200 -0.032 0.000 0.806 276 S HN 0.251 nan 8.310 nan 0.000 0.496 277 R N -0.201 120.392 120.500 0.155 0.000 2.140 277 R HA 0.324 4.666 4.340 0.003 0.000 0.213 277 R C -0.021 176.497 176.300 0.363 0.000 1.059 277 R CA 0.628 56.898 56.100 0.282 0.000 1.000 277 R CB 0.501 30.944 30.300 0.240 0.000 0.910 277 R HN 0.316 nan 8.270 nan 0.000 0.455 278 V N 0.475 120.546 119.914 0.262 0.000 3.012 278 V HA 0.306 4.428 4.120 0.003 0.000 0.307 278 V C -0.999 175.013 176.094 -0.137 0.000 1.166 278 V CA -1.036 61.320 62.300 0.092 0.000 0.974 278 V CB 2.114 33.885 31.823 -0.086 0.000 1.040 278 V HN 0.053 nan 8.190 nan 0.000 0.428 279 L N 4.276 125.197 121.223 -0.503 0.000 2.453 279 L HA 0.465 4.807 4.340 0.003 0.000 0.261 279 L C -1.363 175.156 176.870 -0.584 0.000 1.179 279 L CA -0.084 54.296 54.840 -0.766 0.000 0.813 279 L CB 0.841 42.398 42.059 -0.837 0.000 1.110 279 L HN 0.704 nan 8.230 nan 0.000 0.466 280 Y N 3.284 123.551 120.300 -0.054 0.000 2.328 280 Y HA 0.406 4.958 4.550 0.003 0.000 0.333 280 Y C -1.575 174.340 175.900 0.026 0.000 0.958 280 Y CA -1.976 56.138 58.100 0.023 0.000 1.167 280 Y CB 0.648 39.147 38.460 0.065 0.000 1.151 280 Y HN 0.526 nan 8.280 nan 0.000 0.470 281 P HA 0.597 nan 4.420 nan 0.000 0.328 281 P C -0.662 176.749 177.300 0.184 0.000 1.399 281 P CA 0.021 63.234 63.100 0.188 0.000 0.872 281 P CB 0.630 32.476 31.700 0.243 0.000 2.162 288 G N 0.697 109.569 108.800 0.119 0.000 2.821 288 G HA2 0.367 4.329 3.960 0.003 0.000 0.289 288 G HA3 0.367 4.329 3.960 0.003 0.000 0.289 288 G C -0.578 174.462 174.900 0.233 0.000 0.771 288 G CA -0.025 45.268 45.100 0.323 0.000 1.908 288 G HN 0.220 nan 8.290 nan 0.000 0.539 289 K N 1.511 122.034 120.400 0.204 0.000 2.182 289 K HA 0.240 4.561 4.320 0.003 0.000 0.262 289 K C 1.058 177.596 176.600 -0.104 0.000 0.957 289 K CA -0.703 55.586 56.287 0.004 0.000 0.842 289 K CB 1.275 33.713 32.500 -0.102 0.000 1.099 289 K HN 0.301 nan 8.250 nan 0.000 0.438 290 E N 2.736 122.867 120.200 -0.114 0.000 2.171 290 E HA -0.237 4.115 4.350 0.003 0.000 0.197 290 E C 1.446 177.924 176.600 -0.204 0.000 0.997 290 E CA 1.266 57.557 56.400 -0.182 0.000 0.810 290 E CB 0.112 29.746 29.700 -0.110 0.000 0.738 290 E HN 0.653 nan 8.360 nan 0.000 0.467 291 L N 0.390 121.530 121.223 -0.138 0.000 2.109 291 L HA -0.163 4.179 4.340 0.003 0.000 0.207 291 L C 2.654 179.491 176.870 -0.056 0.000 1.086 291 L CA 0.811 55.601 54.840 -0.084 0.000 0.760 291 L CB -0.076 41.991 42.059 0.014 0.000 0.910 291 L HN 0.062 nan 8.230 nan 0.000 0.437 292 R N -0.468 119.981 120.500 -0.086 0.000 2.082 292 R HA -0.228 4.113 4.340 0.003 0.000 0.234 292 R C 2.139 178.417 176.300 -0.037 0.000 1.136 292 R CA 1.681 57.805 56.100 0.040 0.000 0.935 292 R CB -0.910 29.497 30.300 0.179 0.000 0.842 292 R HN 0.257 nan 8.270 nan 0.000 0.430 293 L N 1.789 122.772 121.223 -0.399 0.000 2.131 293 L HA -0.141 4.201 4.340 0.003 0.000 0.210 293 L C 1.997 178.773 176.870 -0.157 0.000 1.092 293 L CA 1.747 56.273 54.840 -0.525 0.000 0.759 293 L CB -0.249 41.141 42.059 -1.114 0.000 0.903 293 L HN 0.023 nan 8.230 nan 0.000 0.435 294 K N -1.107 119.207 120.400 -0.144 0.000 2.057 294 K HA -0.191 4.131 4.320 0.003 0.000 0.207 294 K C 2.131 178.856 176.600 0.208 0.000 1.049 294 K CA 1.689 57.933 56.287 -0.073 0.000 0.931 294 K CB -0.141 32.146 32.500 -0.355 0.000 0.714 294 K HN 0.480 nan 8.250 nan 0.000 0.440 295 Q N 0.488 120.379 119.800 0.151 0.000 2.050 295 Q HA -0.203 4.139 4.340 0.003 0.000 0.202 295 Q C 1.936 178.123 176.000 0.310 0.000 0.980 295 Q CA 1.570 57.517 55.803 0.239 0.000 0.840 295 Q CB 0.022 28.904 28.738 0.239 0.000 0.898 295 Q HN 0.384 nan 8.270 nan 0.000 0.424 296 E N -0.333 120.019 120.200 0.254 0.000 2.047 296 E HA -0.203 4.149 4.350 0.003 0.000 0.191 296 E C 1.774 178.517 176.600 0.237 0.000 0.987 296 E CA 0.964 57.514 56.400 0.249 0.000 0.799 296 E CB -0.178 29.671 29.700 0.247 0.000 0.752 296 E HN 0.301 nan 8.360 nan 0.000 0.449 297 Y N 0.814 121.198 120.300 0.139 0.000 2.145 297 Y HA -0.268 4.284 4.550 0.003 0.000 0.286 297 Y C 2.010 177.985 175.900 0.124 0.000 1.145 297 Y CA 1.405 59.558 58.100 0.089 0.000 1.148 297 Y CB -0.685 37.861 38.460 0.142 0.000 0.981 297 Y HN 0.047 nan 8.280 nan 0.000 0.507 298 F N -0.247 119.694 119.950 -0.014 0.000 2.043 298 F HA -0.259 4.270 4.527 0.003 0.000 0.297 298 F C 2.523 178.192 175.800 -0.218 0.000 1.121 298 F CA 2.258 60.173 58.000 -0.142 0.000 1.199 298 F CB -1.099 37.993 39.000 0.153 0.000 0.968 298 F HN -0.079 nan 8.300 nan 0.000 0.478 299 V N -0.186 119.795 119.914 0.111 0.000 2.469 299 V HA -0.232 3.889 4.120 0.003 0.000 0.251 299 V C 2.150 178.171 176.094 -0.123 0.000 1.064 299 V CA 1.979 64.311 62.300 0.052 0.000 1.066 299 V CB -0.392 31.615 31.823 0.306 0.000 0.667 299 V HN 0.323 nan 8.190 nan 0.000 0.461 300 V N 0.138 119.963 119.914 -0.148 0.000 2.379 300 V HA -0.129 3.993 4.120 0.003 0.000 0.245 300 V C 2.713 178.580 176.094 -0.378 0.000 1.044 300 V CA 1.923 64.113 62.300 -0.184 0.000 1.036 300 V CB -0.886 30.888 31.823 -0.082 0.000 0.664 300 V HN 0.637 nan 8.190 nan 0.000 0.453 301 A N -0.042 122.382 122.820 -0.659 0.000 1.872 301 A HA -0.004 4.317 4.320 0.003 0.000 0.214 301 A C 2.337 179.527 177.584 -0.657 0.000 1.187 301 A CA 1.770 53.392 52.037 -0.693 0.000 0.614 301 A CB -0.719 17.643 19.000 -1.064 0.000 0.826 301 A HN 0.541 nan 8.150 nan 0.000 0.442 302 A N -1.224 121.022 122.820 -0.956 0.000 2.066 302 A HA 0.044 4.366 4.320 0.003 0.000 0.218 302 A C 2.170 179.152 177.584 -1.004 0.000 1.157 302 A CA 1.923 53.221 52.037 -1.231 0.000 0.670 302 A CB -0.899 16.789 19.000 -2.186 0.000 0.804 302 A HN 0.417 nan 8.150 nan 0.000 0.453 303 T N 0.160 114.325 114.554 -0.648 0.000 2.737 303 T HA -0.080 4.271 4.350 0.003 0.000 0.265 303 T C 1.720 176.159 174.700 -0.434 0.000 1.038 303 T CA 1.408 63.278 62.100 -0.384 0.000 1.144 303 T CB -0.295 68.390 68.868 -0.305 0.000 0.866 303 T HN 0.243 nan 8.240 nan 0.000 0.434 304 L N 1.260 122.265 121.223 -0.363 0.000 2.127 304 L HA -0.115 4.227 4.340 0.003 0.000 0.211 304 L C 2.579 179.315 176.870 -0.223 0.000 1.089 304 L CA 1.634 56.307 54.840 -0.278 0.000 0.757 304 L CB -0.665 41.271 42.059 -0.206 0.000 0.899 304 L HN 0.341 nan 8.230 nan 0.000 0.434 305 Q N -1.167 118.504 119.800 -0.216 0.000 1.990 305 Q HA -0.231 4.110 4.340 0.003 0.000 0.200 305 Q C 1.921 177.875 176.000 -0.077 0.000 0.980 305 Q CA 1.558 57.282 55.803 -0.131 0.000 0.832 305 Q CB -0.374 28.281 28.738 -0.139 0.000 0.897 305 Q HN 0.353 nan 8.270 nan 0.000 0.427 306 D N 0.776 121.145 120.400 -0.052 0.000 2.170 306 D HA -0.186 4.455 4.640 0.003 0.000 0.193 306 D C 1.685 177.946 176.300 -0.065 0.000 1.004 306 D CA 1.128 55.153 54.000 0.041 0.000 0.860 306 D CB -0.167 40.777 40.800 0.240 0.000 0.931 306 D HN 0.167 nan 8.370 nan 0.000 0.448 307 I N 0.214 120.627 120.570 -0.262 0.000 2.045 307 I HA -0.280 3.892 4.170 0.003 0.000 0.233 307 I C 2.480 178.597 176.117 -0.001 0.000 1.048 307 I CA 0.863 61.957 61.300 -0.343 0.000 1.313 307 I CB -0.300 37.346 38.000 -0.590 0.000 1.043 307 I HN 0.032 nan 8.210 nan 0.000 0.393 308 I N 0.245 120.846 120.570 0.050 0.000 2.300 308 I HA -0.371 3.801 4.170 0.003 0.000 0.252 308 I C 2.744 178.986 176.117 0.208 0.000 1.119 308 I CA 1.274 62.664 61.300 0.151 0.000 1.384 308 I CB -0.539 37.457 38.000 -0.006 0.000 1.062 308 I HN 0.310 nan 8.210 nan 0.000 0.426 309 R N 1.356 121.932 120.500 0.128 0.000 2.082 309 R HA -0.165 4.177 4.340 0.003 0.000 0.228 309 R C 2.478 178.883 176.300 0.174 0.000 1.140 309 R CA 1.611 57.796 56.100 0.142 0.000 0.920 309 R CB -0.192 30.178 30.300 0.117 0.000 0.828 309 R HN 0.183 nan 8.270 nan 0.000 0.430 310 R N -0.513 120.084 120.500 0.162 0.000 2.170 310 R HA -0.185 4.156 4.340 0.003 0.000 0.242 310 R C 2.116 178.491 176.300 0.125 0.000 1.145 310 R CA 1.703 57.892 56.100 0.149 0.000 0.984 310 R CB -0.447 29.913 30.300 0.100 0.000 0.869 310 R HN 0.284 nan 8.270 nan 0.000 0.455 311 F N 1.732 121.680 119.950 -0.003 0.000 2.060 311 F HA -0.174 4.355 4.527 0.003 0.000 0.295 311 F C 1.837 177.598 175.800 -0.066 0.000 1.120 311 F CA 1.537 59.462 58.000 -0.126 0.000 1.205 311 F CB -0.080 38.933 39.000 0.022 0.000 0.986 311 F HN -0.213 nan 8.300 nan 0.000 0.470 312 K N 0.378 120.856 120.400 0.130 0.000 1.991 312 K HA -0.174 4.148 4.320 0.003 0.000 0.212 312 K C 2.320 178.976 176.600 0.093 0.000 1.049 312 K CA 2.144 58.478 56.287 0.078 0.000 0.932 312 K CB -0.675 31.925 32.500 0.165 0.000 0.717 312 K HN 0.420 nan 8.250 nan 0.000 0.441 313 S N 0.968 116.750 115.700 0.137 0.000 2.356 313 S HA -0.090 4.382 4.470 0.003 0.000 0.223 313 S C 1.493 176.214 174.600 0.201 0.000 1.032 313 S CA 0.871 59.176 58.200 0.175 0.000 1.005 313 S CB -0.383 62.955 63.200 0.230 0.000 0.867 313 S HN 0.014 nan 8.310 nan 0.000 0.449 314 S N 2.138 117.910 115.700 0.119 0.000 3.806 314 S HA 0.252 4.724 4.470 0.003 0.000 0.218 314 S C 0.388 174.990 174.600 0.003 0.000 1.146 314 S CA 0.005 58.147 58.200 -0.096 0.000 1.030 314 S CB -0.592 62.237 63.200 -0.618 0.000 1.617 314 S HN 0.466 nan 8.310 nan 0.000 0.487 315 K N -0.038 120.426 120.400 0.105 0.000 3.580 315 K HA -0.261 4.060 4.320 0.003 0.000 0.288 315 K C 0.570 177.178 176.600 0.014 0.000 1.160 315 K CA 1.710 58.035 56.287 0.063 0.000 1.053 315 K CB -1.871 30.655 32.500 0.045 0.000 1.362 315 K HN 0.556 nan 8.250 nan 0.000 0.436 316 F N 0.418 120.274 119.950 -0.157 0.000 2.604 316 F HA 0.115 4.644 4.527 0.003 0.000 0.298 316 F C 2.032 177.687 175.800 -0.242 0.000 1.131 316 F CA 1.269 59.113 58.000 -0.260 0.000 1.457 316 F CB -0.178 38.567 39.000 -0.426 0.000 1.095 316 F HN 0.151 nan 8.300 nan 0.000 0.574 317 G N -0.426 108.381 108.800 0.010 0.000 2.421 317 G HA2 -0.285 3.677 3.960 0.003 0.000 0.216 317 G HA3 -0.285 3.677 3.960 0.003 0.000 0.216 317 G C 1.731 176.583 174.900 -0.081 0.000 1.171 317 G CA 1.190 46.284 45.100 -0.010 0.000 0.775 317 G HN 0.456 nan 8.290 nan 0.000 0.543 318 C N -0.166 119.082 119.300 -0.087 0.000 2.457 318 C HA 0.231 4.692 4.460 0.003 0.000 0.278 318 C C 1.942 176.811 174.990 -0.202 0.000 1.309 318 C CA -0.300 58.654 59.018 -0.106 0.000 1.735 318 C CB -0.585 27.117 27.740 -0.064 0.000 1.992 318 C HN 0.282 nan 8.230 nan 0.000 0.493 319 R N 2.072 122.368 120.500 -0.339 0.000 4.576 319 R HA -0.011 4.331 4.340 0.003 0.000 0.185 319 R C 1.019 176.856 176.300 -0.773 0.000 1.837 319 R CA 0.184 55.944 56.100 -0.567 0.000 1.520 319 R CB -0.815 29.021 30.300 -0.772 0.000 1.403 319 R HN 0.564 nan 8.270 nan 0.000 0.831 320 D N 1.355 121.509 120.400 -0.411 0.000 2.123 320 D HA -0.062 4.580 4.640 0.003 0.000 0.200 320 D C -1.015 175.124 176.300 -0.269 0.000 0.976 320 D CA 0.330 54.149 54.000 -0.302 0.000 0.831 320 D CB -0.390 40.330 40.800 -0.132 0.000 0.974 320 D HN 0.154 nan 8.370 nan 0.000 0.469 321 P HA -0.209 nan 4.420 nan 0.000 0.221 321 P C -0.045 177.227 177.300 -0.047 0.000 1.158 321 P CA 1.017 64.051 63.100 -0.110 0.000 0.824 321 P CB -0.027 31.610 31.700 -0.106 0.000 0.715 322 V N -2.169 117.734 119.914 -0.017 0.000 2.781 322 V HA 0.378 4.500 4.120 0.003 0.000 0.289 322 V C -0.383 175.755 176.094 0.074 0.000 1.275 322 V CA -0.799 61.520 62.300 0.033 0.000 0.936 322 V CB 1.449 33.299 31.823 0.046 0.000 1.074 322 V HN 0.032 nan 8.190 nan 0.000 0.444 323 R N 3.060 123.620 120.500 0.100 0.000 4.000 323 R HA -0.171 4.171 4.340 0.003 0.000 0.348 323 R C 0.520 176.938 176.300 0.195 0.000 1.204 323 R CA 1.270 57.478 56.100 0.180 0.000 0.987 323 R CB -3.480 26.996 30.300 0.294 0.000 1.446 323 R HN 2.075 nan 8.270 nan 0.000 0.555 324 T N -0.626 113.977 114.554 0.081 0.000 3.177 324 T HA -0.215 4.137 4.350 0.003 0.000 0.439 324 T C 0.168 174.872 174.700 0.006 0.000 0.771 324 T CA 0.724 62.843 62.100 0.032 0.000 2.254 324 T CB -0.970 67.924 68.868 0.043 0.000 1.667 324 T HN 0.397 nan 8.240 nan 0.000 0.619 325 N N 0.617 119.378 118.700 0.102 0.000 2.468 325 N HA 0.246 4.988 4.740 0.003 0.000 0.265 325 N C 0.925 176.536 175.510 0.169 0.000 1.199 325 N CA -0.668 52.453 53.050 0.118 0.000 0.928 325 N CB 0.098 38.688 38.487 0.170 0.000 1.059 325 N HN 0.382 nan 8.380 nan 0.000 0.467 326 F N 0.619 120.794 119.950 0.374 0.000 2.664 326 F HA -0.098 4.430 4.527 0.003 0.000 0.297 326 F C 1.961 177.889 175.800 0.213 0.000 1.164 326 F CA 0.420 58.539 58.000 0.198 0.000 1.472 326 F CB 0.033 39.019 39.000 -0.023 0.000 1.108 326 F HN 0.493 nan 8.300 nan 0.000 0.596 327 D N 0.171 120.731 120.400 0.266 0.000 2.117 327 D HA -0.063 4.579 4.640 0.003 0.000 0.198 327 D C 2.004 178.432 176.300 0.213 0.000 0.982 327 D CA 1.318 55.442 54.000 0.206 0.000 0.828 327 D CB -0.021 40.876 40.800 0.162 0.000 0.967 327 D HN 0.249 nan 8.370 nan 0.000 0.464 328 A N -0.480 122.519 122.820 0.298 0.000 2.462 328 A HA 0.093 4.415 4.320 0.003 0.000 0.261 328 A C 1.213 179.009 177.584 0.353 0.000 1.323 328 A CA -0.396 51.837 52.037 0.328 0.000 0.913 328 A CB -0.465 18.810 19.000 0.459 0.000 1.028 328 A HN 0.068 nan 8.150 nan 0.000 0.511 329 F N 2.224 122.204 119.950 0.050 0.000 2.053 329 F HA 0.033 4.562 4.527 0.003 0.000 0.292 329 F C -0.542 175.180 175.800 -0.131 0.000 1.125 329 F CA 1.550 59.333 58.000 -0.363 0.000 1.193 329 F CB -0.622 38.066 39.000 -0.520 0.000 0.996 329 F HN 0.199 nan 8.300 nan 0.000 0.470 330 P HA -0.151 nan 4.420 nan 0.000 0.219 330 P C 0.818 178.075 177.300 -0.072 0.000 1.146 330 P CA 1.752 64.795 63.100 -0.095 0.000 0.808 330 P CB -0.088 31.618 31.700 0.011 0.000 0.779 331 D N 0.594 120.989 120.400 -0.009 0.000 2.104 331 D HA -0.125 4.516 4.640 0.003 0.000 0.194 331 D C 1.295 177.583 176.300 -0.020 0.000 0.994 331 D CA 1.440 55.449 54.000 0.016 0.000 0.830 331 D CB -0.386 40.462 40.800 0.079 0.000 0.959 331 D HN 0.174 nan 8.370 nan 0.000 0.452 332 K N -0.531 119.836 120.400 -0.054 0.000 2.570 332 K HA 0.331 4.652 4.320 0.003 0.000 0.210 332 K C -1.064 175.420 176.600 -0.193 0.000 1.048 332 K CA -0.120 56.113 56.287 -0.090 0.000 1.167 332 K CB 1.282 33.761 32.500 -0.035 0.000 0.892 332 K HN -0.120 nan 8.250 nan 0.000 0.480 333 V N 0.084 119.828 119.914 -0.284 0.000 2.969 333 V HA 0.719 4.841 4.120 0.003 0.000 0.304 333 V C -1.537 174.444 176.094 -0.188 0.000 1.192 333 V CA -0.963 61.158 62.300 -0.299 0.000 0.962 333 V CB 2.110 33.483 31.823 -0.750 0.000 1.045 333 V HN 0.159 nan 8.190 nan 0.000 0.428 334 A N 4.862 127.622 122.820 -0.099 0.000 2.515 334 A HA 0.973 5.295 4.320 0.003 0.000 0.296 334 A C -1.446 176.123 177.584 -0.025 0.000 1.094 334 A CA -0.556 51.440 52.037 -0.070 0.000 0.718 334 A CB 1.752 20.681 19.000 -0.118 0.000 1.307 334 A HN 0.718 nan 8.150 nan 0.000 0.408 335 I N 1.365 121.927 120.570 -0.013 0.000 2.468 335 I HA 0.251 4.423 4.170 0.003 0.000 0.285 335 I C -0.798 175.314 176.117 -0.007 0.000 1.039 335 I CA -0.435 60.873 61.300 0.014 0.000 1.074 335 I CB 2.043 40.044 38.000 0.002 0.000 1.228 335 I HN 0.541 nan 8.210 nan 0.000 0.436 336 Q N 6.048 125.819 119.800 -0.048 0.000 2.303 336 Q HA 0.430 4.772 4.340 0.003 0.000 0.257 336 Q C -1.160 174.772 176.000 -0.113 0.000 0.941 336 Q CA -0.845 54.930 55.803 -0.047 0.000 0.931 336 Q CB 2.111 30.791 28.738 -0.097 0.000 1.215 336 Q HN 0.366 nan 8.270 nan 0.000 0.437 337 L N 3.602 124.832 121.223 0.012 0.000 2.287 337 L HA 0.250 4.592 4.340 0.003 0.000 0.280 337 L C 0.285 177.236 176.870 0.136 0.000 1.055 337 L CA -0.726 54.138 54.840 0.039 0.000 0.863 337 L CB -0.100 41.986 42.059 0.045 0.000 1.245 337 L HN 0.396 nan 8.230 nan 0.000 0.432 338 N N 3.586 122.312 118.700 0.043 0.000 2.466 338 N HA 0.173 4.915 4.740 0.003 0.000 0.263 338 N C -0.219 175.463 175.510 0.287 0.000 1.178 338 N CA 0.651 53.832 53.050 0.219 0.000 0.983 338 N CB -0.098 38.478 38.487 0.149 0.000 1.331 338 N HN 0.575 nan 8.380 nan 0.000 0.500 339 D N 0.241 120.872 120.400 0.385 0.000 10.753 339 D HA -0.203 4.439 4.640 0.003 0.000 0.356 339 D C 0.334 176.678 176.300 0.074 0.000 3.118 339 D CA 1.204 55.387 54.000 0.305 0.000 2.600 339 D CB -0.492 40.330 40.800 0.035 0.000 1.206 339 D HN 0.492 nan 8.370 nan 0.000 0.947 340 T N -0.985 113.535 114.554 -0.057 0.000 3.118 340 T HA -0.135 4.217 4.350 0.003 0.000 0.269 340 T C 1.591 176.284 174.700 -0.011 0.000 1.166 340 T CA 1.973 63.994 62.100 -0.131 0.000 1.073 340 T CB -0.668 68.131 68.868 -0.116 0.000 0.884 340 T HN 0.564 nan 8.240 nan 0.000 0.550 341 H N 2.031 121.183 119.070 0.137 0.000 2.421 341 H HA 0.015 4.573 4.556 0.003 0.000 0.298 341 H C -0.939 174.484 175.328 0.157 0.000 1.087 341 H CA 0.496 56.647 56.048 0.173 0.000 1.330 341 H CB -0.735 29.138 29.762 0.186 0.000 1.388 341 H HN 0.442 nan 8.280 nan 0.000 0.526 342 P HA 0.070 nan 4.420 nan 0.000 0.254 342 P C 0.743 178.080 177.300 0.062 0.000 1.620 342 P CA 0.201 63.383 63.100 0.136 0.000 1.050 342 P CB 0.603 32.372 31.700 0.115 0.000 1.539 343 S N 0.068 115.790 115.700 0.036 0.000 2.383 343 S HA -0.175 4.296 4.470 0.003 0.000 0.229 343 S C 1.712 176.310 174.600 -0.003 0.000 1.030 343 S CA 1.173 59.351 58.200 -0.037 0.000 1.002 343 S CB -1.543 61.615 63.200 -0.071 0.000 0.829 343 S HN 0.180 nan 8.310 nan 0.000 0.467 344 L N 1.353 122.593 121.223 0.029 0.000 2.549 344 L HA 0.018 4.359 4.340 0.003 0.000 0.230 344 L C 2.753 179.623 176.870 -0.000 0.000 1.162 344 L CA 0.574 55.408 54.840 -0.010 0.000 0.834 344 L CB -0.731 41.303 42.059 -0.041 0.000 0.947 344 L HN 0.466 nan 8.230 nan 0.000 0.452 345 A N 0.032 122.857 122.820 0.008 0.000 2.121 345 A HA -0.108 4.214 4.320 0.003 0.000 0.218 345 A C 2.138 179.726 177.584 0.007 0.000 1.154 345 A CA 1.053 53.087 52.037 -0.006 0.000 0.679 345 A CB -0.363 18.624 19.000 -0.022 0.000 0.795 345 A HN 0.391 nan 8.150 nan 0.000 0.458 346 I N 0.182 120.763 120.570 0.019 0.000 2.185 346 I HA -0.086 4.086 4.170 0.003 0.000 0.235 346 I C -0.494 175.674 176.117 0.085 0.000 1.069 346 I CA 0.962 62.296 61.300 0.055 0.000 1.354 346 I CB -0.959 37.079 38.000 0.064 0.000 1.093 346 I HN 0.158 nan 8.210 nan 0.000 0.411 347 P HA -0.178 nan 4.420 nan 0.000 0.220 347 P C 1.235 178.628 177.300 0.156 0.000 1.148 347 P CA 1.418 64.591 63.100 0.121 0.000 0.803 347 P CB -0.029 31.745 31.700 0.122 0.000 0.782 348 E N 0.132 120.416 120.200 0.140 0.000 2.150 348 E HA -0.155 4.197 4.350 0.003 0.000 0.193 348 E C 1.826 178.458 176.600 0.054 0.000 0.985 348 E CA 0.726 57.248 56.400 0.204 0.000 0.814 348 E CB -1.210 28.587 29.700 0.162 0.000 0.752 348 E HN 0.088 nan 8.360 nan 0.000 0.466 349 L N -0.367 120.855 121.223 -0.001 0.000 2.072 349 L HA -0.064 4.278 4.340 0.003 0.000 0.205 349 L C 2.061 178.864 176.870 -0.112 0.000 1.079 349 L CA 1.502 56.301 54.840 -0.069 0.000 0.752 349 L CB -0.361 41.678 42.059 -0.034 0.000 0.906 349 L HN 0.153 nan 8.230 nan 0.000 0.436 350 M N -0.590 118.966 119.600 -0.073 0.000 2.099 350 M HA -0.172 4.310 4.480 0.003 0.000 0.262 350 M C 2.456 178.660 176.300 -0.160 0.000 1.067 350 M CA 1.637 56.848 55.300 -0.148 0.000 1.124 350 M CB -1.352 31.174 32.600 -0.122 0.000 1.353 350 M HN 0.342 nan 8.290 nan 0.000 0.410 351 R N 0.400 120.829 120.500 -0.117 0.000 2.073 351 R HA -0.108 4.234 4.340 0.003 0.000 0.234 351 R C 2.044 178.250 176.300 -0.157 0.000 1.134 351 R CA 1.566 57.569 56.100 -0.163 0.000 0.952 351 R CB -0.254 29.885 30.300 -0.269 0.000 0.850 351 R HN 0.201 nan 8.270 nan 0.000 0.433 352 V N 1.721 121.547 119.914 -0.146 0.000 2.332 352 V HA -0.273 3.849 4.120 0.003 0.000 0.248 352 V C 2.453 178.389 176.094 -0.264 0.000 1.055 352 V CA 1.718 63.906 62.300 -0.186 0.000 1.038 352 V CB -0.413 31.284 31.823 -0.211 0.000 0.651 352 V HN 0.359 nan 8.190 nan 0.000 0.450 353 L N -0.992 120.041 121.223 -0.317 0.000 2.068 353 L HA -0.080 4.262 4.340 0.003 0.000 0.204 353 L C 2.467 179.156 176.870 -0.301 0.000 1.076 353 L CA 0.979 55.569 54.840 -0.418 0.000 0.753 353 L CB -0.531 41.251 42.059 -0.462 0.000 0.910 353 L HN 0.197 nan 8.230 nan 0.000 0.439 354 V N 0.260 120.035 119.914 -0.232 0.000 2.216 354 V HA -0.302 3.820 4.120 0.003 0.000 0.243 354 V C 2.154 178.180 176.094 -0.113 0.000 1.044 354 V CA 2.131 64.341 62.300 -0.149 0.000 0.995 354 V CB -0.389 31.376 31.823 -0.096 0.000 0.633 354 V HN 0.427 nan 8.190 nan 0.000 0.446 355 D N -0.519 119.811 120.400 -0.117 0.000 2.107 355 D HA -0.063 4.579 4.640 0.003 0.000 0.204 355 D C 1.987 178.224 176.300 -0.106 0.000 0.978 355 D CA 1.002 54.941 54.000 -0.102 0.000 0.852 355 D CB -0.383 40.351 40.800 -0.111 0.000 1.008 355 D HN 0.175 nan 8.370 nan 0.000 0.458 356 L N 1.185 122.333 121.223 -0.126 0.000 2.023 356 L HA -0.094 4.248 4.340 0.003 0.000 0.205 356 L C 2.249 179.050 176.870 -0.114 0.000 1.073 356 L CA 1.473 56.246 54.840 -0.111 0.000 0.745 356 L CB -0.477 41.512 42.059 -0.117 0.000 0.900 356 L HN -0.068 nan 8.230 nan 0.000 0.435 357 E N -0.341 119.757 120.200 -0.171 0.000 1.997 357 E HA -0.124 4.228 4.350 0.003 0.000 0.196 357 E C 0.987 177.524 176.600 -0.105 0.000 0.990 357 E CA 0.929 57.232 56.400 -0.161 0.000 0.845 357 E CB 0.033 29.535 29.700 -0.331 0.000 0.795 357 E HN 0.115 nan 8.360 nan 0.000 0.479 358 R N -1.407 119.021 120.500 -0.121 0.000 2.621 358 R HA 0.093 4.435 4.340 0.003 0.000 0.040 358 R C -0.876 175.392 176.300 -0.053 0.000 0.497 358 R CA 0.042 56.102 56.100 -0.066 0.000 0.761 358 R CB -1.214 29.070 30.300 -0.026 0.000 0.794 358 R HN 0.027 nan 8.270 nan 0.000 0.604 359 L N 2.082 123.248 121.223 -0.095 0.000 2.452 359 L HA 0.233 4.575 4.340 0.003 0.000 0.267 359 L C 1.030 177.881 176.870 -0.032 0.000 1.188 359 L CA 0.109 54.916 54.840 -0.055 0.000 0.821 359 L CB 0.266 42.266 42.059 -0.098 0.000 1.102 359 L HN 0.290 nan 8.230 nan 0.000 0.470 360 D N 0.103 120.511 120.400 0.015 0.000 2.384 360 D HA -0.117 4.525 4.640 0.003 0.000 0.244 360 D C 0.616 176.953 176.300 0.061 0.000 1.251 360 D CA -0.481 53.555 54.000 0.059 0.000 0.961 360 D CB 0.874 41.724 40.800 0.083 0.000 1.116 360 D HN 0.608 nan 8.370 nan 0.000 0.484 361 W N 0.138 121.428 121.300 -0.016 0.000 2.363 361 W HA -0.109 4.552 4.660 0.003 0.000 0.296 361 W C 1.788 178.318 176.519 0.019 0.000 1.212 361 W CA 1.365 58.687 57.345 -0.038 0.000 1.260 361 W CB 0.083 29.492 29.460 -0.086 0.000 1.131 361 W HN 0.403 nan 8.180 nan 0.000 0.530 362 D N -0.609 119.931 120.400 0.233 0.000 2.216 362 D HA -0.120 4.521 4.640 0.003 0.000 0.208 362 D C 1.840 178.221 176.300 0.136 0.000 0.960 362 D CA 0.991 55.139 54.000 0.247 0.000 0.861 362 D CB -0.202 40.758 40.800 0.266 0.000 0.985 362 D HN 0.043 nan 8.370 nan 0.000 0.493 363 K N 1.889 122.339 120.400 0.085 0.000 2.097 363 K HA -0.060 4.261 4.320 0.003 0.000 0.206 363 K C 1.851 178.470 176.600 0.031 0.000 1.049 363 K CA 1.346 57.676 56.287 0.071 0.000 0.933 363 K CB -0.373 32.168 32.500 0.068 0.000 0.717 363 K HN -0.014 nan 8.250 nan 0.000 0.442 364 A N 0.039 122.819 122.820 -0.066 0.000 1.898 364 A HA -0.158 4.164 4.320 0.003 0.000 0.216 364 A C 2.252 179.787 177.584 -0.081 0.000 1.181 364 A CA 1.338 53.288 52.037 -0.145 0.000 0.620 364 A CB -1.184 17.633 19.000 -0.306 0.000 0.819 364 A HN 0.679 nan 8.150 nan 0.000 0.442 365 W N 0.627 121.682 121.300 -0.408 0.000 2.363 365 W HA -0.185 4.477 4.660 0.003 0.000 0.296 365 W C 2.123 178.585 176.519 -0.096 0.000 1.212 365 W CA 1.420 58.560 57.345 -0.342 0.000 1.260 365 W CB 0.087 29.380 29.460 -0.279 0.000 1.131 365 W HN 0.604 nan 8.180 nan 0.000 0.530 366 E N 0.140 120.428 120.200 0.147 0.000 2.021 366 E HA -0.276 4.076 4.350 0.003 0.000 0.200 366 E C 1.950 178.569 176.600 0.032 0.000 1.015 366 E CA 2.444 58.881 56.400 0.062 0.000 0.824 366 E CB -0.600 29.155 29.700 0.090 0.000 0.762 366 E HN 0.051 nan 8.360 nan 0.000 0.454 367 V N 1.131 121.087 119.914 0.070 0.000 2.220 367 V HA -0.374 3.748 4.120 0.003 0.000 0.250 367 V C 2.527 178.667 176.094 0.077 0.000 1.056 367 V CA 2.575 64.937 62.300 0.104 0.000 1.016 367 V CB -1.249 30.655 31.823 0.135 0.000 0.639 367 V HN 0.455 nan 8.190 nan 0.000 0.446 368 T N 0.256 114.836 114.554 0.043 0.000 2.544 368 T HA -0.244 4.108 4.350 0.003 0.000 0.264 368 T C 1.839 176.492 174.700 -0.078 0.000 1.096 368 T CA 2.122 64.230 62.100 0.013 0.000 1.181 368 T CB -0.598 68.318 68.868 0.080 0.000 0.864 368 T HN 0.278 nan 8.240 nan 0.000 0.415 369 V N 1.500 121.253 119.914 -0.269 0.000 2.568 369 V HA -0.147 3.975 4.120 0.003 0.000 0.253 369 V C 2.323 178.425 176.094 0.013 0.000 1.072 369 V CA 1.528 63.679 62.300 -0.248 0.000 1.084 369 V CB -0.600 30.934 31.823 -0.481 0.000 0.676 369 V HN 0.475 nan 8.190 nan 0.000 0.469 370 K N -0.630 119.794 120.400 0.041 0.000 2.365 370 K HA -0.020 4.302 4.320 0.003 0.000 0.197 370 K C 2.012 178.757 176.600 0.242 0.000 1.042 370 K CA 1.172 57.522 56.287 0.106 0.000 0.987 370 K CB 0.026 32.526 32.500 0.000 0.000 0.779 370 K HN 0.499 nan 8.250 nan 0.000 0.484 371 T N 0.229 114.878 114.554 0.159 0.000 2.953 371 T HA 0.029 4.380 4.350 0.003 0.000 0.247 371 T C 1.002 175.748 174.700 0.076 0.000 1.029 371 T CA 0.279 62.442 62.100 0.105 0.000 1.144 371 T CB 0.069 68.981 68.868 0.074 0.000 0.870 371 T HN 0.148 nan 8.240 nan 0.000 0.446 372 C N 2.712 122.027 119.300 0.025 0.000 2.536 372 C HA 0.828 5.289 4.460 0.003 0.000 0.396 372 C C 0.742 175.641 174.990 -0.150 0.000 1.279 372 C CA -1.329 57.666 59.018 -0.037 0.000 2.148 372 C CB -0.531 27.189 27.740 -0.034 0.000 2.584 372 C HN 0.623 nan 8.230 nan 0.000 0.579 373 A N 2.155 124.916 122.820 -0.098 0.000 2.435 373 A HA 0.750 5.071 4.320 0.003 0.000 0.304 373 A C -1.447 176.196 177.584 0.098 0.000 1.064 373 A CA -0.373 51.611 52.037 -0.089 0.000 0.727 373 A CB 1.123 20.095 19.000 -0.048 0.000 1.284 373 A HN 0.937 nan 8.150 nan 0.000 0.415 374 Y N 1.338 121.612 120.300 -0.043 0.000 2.326 374 Y HA 0.610 5.162 4.550 0.003 0.000 0.329 374 Y C -0.398 175.524 175.900 0.037 0.000 0.973 374 Y CA -0.671 57.421 58.100 -0.014 0.000 1.162 374 Y CB 1.510 39.931 38.460 -0.065 0.000 1.147 374 Y HN 0.575 nan 8.280 nan 0.000 0.456 375 T N 6.830 121.390 114.554 0.009 0.000 2.856 375 T HA 0.190 4.542 4.350 0.003 0.000 0.292 375 T C -0.446 174.017 174.700 -0.395 0.000 0.980 375 T CA -0.444 61.582 62.100 -0.123 0.000 1.091 375 T CB 0.199 69.130 68.868 0.104 0.000 0.936 375 T HN 0.658 nan 8.240 nan 0.000 0.503 376 N N 1.410 119.847 118.700 -0.438 0.000 2.399 376 N HA 0.210 4.952 4.740 0.003 0.000 0.295 376 N C -0.690 174.820 175.510 -0.001 0.000 1.048 376 N CA -0.423 52.515 53.050 -0.186 0.000 0.886 376 N CB 1.006 39.449 38.487 -0.073 0.000 1.185 376 N HN 0.640 nan 8.380 nan 0.000 0.487 377 H N -0.275 118.895 119.070 0.166 0.000 3.007 377 H HA 0.215 4.773 4.556 0.003 0.000 0.251 377 H C -0.517 174.832 175.328 0.034 0.000 1.188 377 H CA -0.320 55.747 56.048 0.033 0.000 1.017 377 H CB 0.394 30.178 29.762 0.036 0.000 1.805 377 H HN 0.437 nan 8.280 nan 0.000 0.659 378 T N -2.173 112.544 114.554 0.273 0.000 2.885 378 T HA 0.448 4.800 4.350 0.003 0.000 0.285 378 T C 0.649 175.475 174.700 0.210 0.000 1.019 378 T CA -0.570 61.641 62.100 0.185 0.000 1.010 378 T CB 2.552 71.514 68.868 0.157 0.000 1.022 378 T HN 0.024 nan 8.240 nan 0.000 0.466 379 V N 1.168 121.143 119.914 0.101 0.000 2.948 379 V HA 0.424 4.546 4.120 0.003 0.000 0.234 379 V C 0.362 176.440 176.094 -0.026 0.000 1.205 379 V CA -0.035 62.298 62.300 0.055 0.000 1.234 379 V CB -0.067 31.796 31.823 0.066 0.000 1.020 379 V HN 0.822 nan 8.190 nan 0.000 0.491 380 I N 2.253 122.805 120.570 -0.029 0.000 2.533 380 I HA 0.260 4.432 4.170 0.003 0.000 0.284 380 I C -1.466 174.633 176.117 -0.030 0.000 1.109 380 I CA -1.663 59.613 61.300 -0.040 0.000 1.412 380 I CB 1.317 39.287 38.000 -0.050 0.000 1.396 380 I HN 0.200 nan 8.210 nan 0.000 0.543 381 P HA -0.144 nan 4.420 nan 0.000 0.220 381 P C 0.934 178.226 177.300 -0.014 0.000 1.148 381 P CA 0.998 64.083 63.100 -0.025 0.000 0.803 381 P CB 0.190 31.877 31.700 -0.022 0.000 0.782 382 E N -0.290 119.901 120.200 -0.015 0.000 2.333 382 E HA -0.121 4.231 4.350 0.003 0.000 0.200 382 E C 1.508 178.100 176.600 -0.013 0.000 1.010 382 E CA 1.313 57.704 56.400 -0.014 0.000 0.841 382 E CB -0.734 28.960 29.700 -0.010 0.000 0.757 382 E HN 0.247 nan 8.360 nan 0.000 0.508 383 A N -0.022 122.795 122.820 -0.005 0.000 2.564 383 A HA 0.239 4.560 4.320 0.003 0.000 0.279 383 A C -0.156 177.434 177.584 0.009 0.000 1.232 383 A CA -0.424 51.617 52.037 0.006 0.000 0.950 383 A CB 0.288 19.304 19.000 0.027 0.000 1.138 383 A HN 0.017 nan 8.150 nan 0.000 0.526 384 L N 0.561 121.782 121.223 -0.002 0.000 2.350 384 L HA 0.366 4.708 4.340 0.003 0.000 0.275 384 L C 0.629 177.451 176.870 -0.080 0.000 1.099 384 L CA -0.391 54.452 54.840 0.005 0.000 0.808 384 L CB 0.780 42.865 42.059 0.043 0.000 1.149 384 L HN 0.430 nan 8.230 nan 0.000 0.442 385 E N 2.562 122.695 120.200 -0.112 0.000 2.437 385 E HA 0.168 4.520 4.350 0.003 0.000 0.263 385 E C -0.550 175.834 176.600 -0.360 0.000 1.030 385 E CA 0.489 56.739 56.400 -0.249 0.000 0.934 385 E CB 0.401 29.976 29.700 -0.208 0.000 0.943 385 E HN 0.349 nan 8.360 nan 0.000 0.444 386 R N 3.897 124.032 120.500 -0.609 0.000 3.090 386 R HA 0.093 4.435 4.340 0.003 0.000 0.279 386 R C -1.698 174.264 176.300 -0.564 0.000 1.462 386 R CA -0.389 55.421 56.100 -0.484 0.000 1.044 386 R CB 0.526 30.657 30.300 -0.281 0.000 1.365 386 R HN 0.580 nan 8.270 nan 0.000 0.399 387 W N 4.613 125.883 121.300 -0.051 0.000 2.287 387 W HA 0.287 4.949 4.660 0.003 0.000 0.313 387 W C -1.858 174.603 176.519 -0.096 0.000 1.267 387 W CA -1.941 55.359 57.345 -0.075 0.000 1.201 387 W CB 0.734 30.147 29.460 -0.079 0.000 1.196 387 W HN 0.249 nan 8.180 nan 0.000 0.536 388 P HA -0.089 nan 4.420 nan 0.000 0.269 388 P C 0.665 177.919 177.300 -0.076 0.000 1.215 388 P CA 0.030 63.111 63.100 -0.032 0.000 0.780 388 P CB 0.686 32.287 31.700 -0.165 0.000 0.898 389 V N 0.374 120.277 119.914 -0.019 0.000 2.535 389 V HA -0.198 3.924 4.120 0.003 0.000 0.246 389 V C 2.154 178.233 176.094 -0.024 0.000 1.045 389 V CA 1.914 64.206 62.300 -0.014 0.000 1.058 389 V CB -2.279 29.572 31.823 0.047 0.000 0.689 389 V HN 0.649 nan 8.190 nan 0.000 0.461 390 H N 0.385 119.483 119.070 0.046 0.000 2.394 390 H HA -0.176 4.382 4.556 0.003 0.000 0.297 390 H C 2.101 177.443 175.328 0.024 0.000 1.113 390 H CA 2.235 58.306 56.048 0.039 0.000 1.277 390 H CB -0.696 29.093 29.762 0.045 0.000 1.370 390 H HN 0.351 nan 8.280 nan 0.000 0.506 391 L N -0.373 120.596 121.223 -0.425 0.000 2.056 391 L HA -0.097 4.245 4.340 0.003 0.000 0.207 391 L C 2.035 178.812 176.870 -0.155 0.000 1.078 391 L CA 1.289 55.979 54.840 -0.250 0.000 0.749 391 L CB -0.484 41.402 42.059 -0.288 0.000 0.901 391 L HN 0.387 nan 8.230 nan 0.000 0.433 392 L N 0.054 121.192 121.223 -0.141 0.000 2.141 392 L HA -0.150 4.191 4.340 0.003 0.000 0.209 392 L C 2.462 179.268 176.870 -0.107 0.000 1.094 392 L CA 1.382 56.135 54.840 -0.144 0.000 0.763 392 L CB -0.532 41.451 42.059 -0.126 0.000 0.908 392 L HN 0.248 nan 8.230 nan 0.000 0.437 393 E N -1.311 118.861 120.200 -0.046 0.000 2.017 393 E HA -0.204 4.148 4.350 0.003 0.000 0.193 393 E C 1.953 178.572 176.600 0.032 0.000 0.997 393 E CA 1.930 58.332 56.400 0.003 0.000 0.804 393 E CB -0.134 29.605 29.700 0.065 0.000 0.757 393 E HN 0.457 nan 8.360 nan 0.000 0.448 394 T N 1.772 116.358 114.554 0.053 0.000 2.622 394 T HA -0.163 4.189 4.350 0.003 0.000 0.266 394 T C 1.961 176.662 174.700 0.002 0.000 1.047 394 T CA 1.698 63.855 62.100 0.095 0.000 1.159 394 T CB -0.223 68.720 68.868 0.125 0.000 0.863 394 T HN 0.225 nan 8.240 nan 0.000 0.422 395 L N -1.412 119.696 121.223 -0.191 0.000 2.640 395 L HA 0.440 4.782 4.340 0.003 0.000 0.230 395 L C -0.130 176.690 176.870 -0.083 0.000 1.123 395 L CA 0.110 54.727 54.840 -0.371 0.000 0.900 395 L CB 0.260 41.885 42.059 -0.723 0.000 1.146 395 L HN 0.025 nan 8.230 nan 0.000 0.484 396 L N 1.914 123.074 121.223 -0.106 0.000 2.470 396 L HA 0.375 4.717 4.340 0.003 0.000 0.256 396 L C -1.769 174.961 176.870 -0.233 0.000 1.357 396 L CA -0.974 53.759 54.840 -0.179 0.000 0.902 396 L CB 0.712 42.601 42.059 -0.283 0.000 1.121 396 L HN -0.108 nan 8.230 nan 0.000 0.507 397 P HA -0.261 nan 4.420 nan 0.000 0.216 397 P C 1.432 178.551 177.300 -0.301 0.000 1.167 397 P CA 1.672 64.672 63.100 -0.167 0.000 0.914 397 P CB 0.481 32.176 31.700 -0.007 0.000 0.793 398 R N -1.154 118.987 120.500 -0.598 0.000 2.153 398 R HA -0.091 4.250 4.340 0.003 0.000 0.218 398 R C 2.596 178.595 176.300 -0.502 0.000 1.072 398 R CA 1.176 56.936 56.100 -0.566 0.000 0.990 398 R CB -0.900 28.901 30.300 -0.832 0.000 0.889 398 R HN 0.285 nan 8.270 nan 0.000 0.452 399 H N -0.040 118.727 119.070 -0.504 0.000 2.403 399 H HA -0.046 4.512 4.556 0.003 0.000 0.298 399 H C 1.873 177.028 175.328 -0.288 0.000 1.059 399 H CA 1.337 57.166 56.048 -0.366 0.000 1.363 399 H CB 0.031 29.542 29.762 -0.418 0.000 1.410 399 H HN 0.210 nan 8.280 nan 0.000 0.528 400 L N 0.923 122.026 121.223 -0.200 0.000 2.191 400 L HA -0.200 4.142 4.340 0.003 0.000 0.212 400 L C 2.232 178.900 176.870 -0.337 0.000 1.103 400 L CA 1.045 55.697 54.840 -0.313 0.000 0.769 400 L CB -0.116 41.742 42.059 -0.334 0.000 0.908 400 L HN 0.289 nan 8.230 nan 0.000 0.438 401 Q N -0.128 119.568 119.800 -0.173 0.000 2.020 401 Q HA -0.238 4.103 4.340 0.003 0.000 0.202 401 Q C 2.208 178.203 176.000 -0.007 0.000 0.982 401 Q CA 1.981 57.762 55.803 -0.038 0.000 0.838 401 Q CB -0.076 28.646 28.738 -0.026 0.000 0.899 401 Q HN 0.522 nan 8.270 nan 0.000 0.423 402 I N 0.339 120.884 120.570 -0.042 0.000 2.163 402 I HA -0.317 3.855 4.170 0.003 0.000 0.243 402 I C 2.155 178.298 176.117 0.043 0.000 1.085 402 I CA 1.203 62.520 61.300 0.030 0.000 1.347 402 I CB -0.316 37.698 38.000 0.023 0.000 1.044 402 I HN 0.245 nan 8.210 nan 0.000 0.408 403 I N -0.405 120.160 120.570 -0.008 0.000 2.264 403 I HA -0.321 3.851 4.170 0.003 0.000 0.248 403 I C 2.387 178.541 176.117 0.063 0.000 1.111 403 I CA 1.433 62.737 61.300 0.006 0.000 1.382 403 I CB -0.427 37.532 38.000 -0.069 0.000 1.060 403 I HN 0.183 nan 8.210 nan 0.000 0.418 404 Y N 0.637 120.932 120.300 -0.009 0.000 2.352 404 Y HA -0.210 4.342 4.550 0.003 0.000 0.292 404 Y C 2.554 178.407 175.900 -0.078 0.000 1.136 404 Y CA 1.169 59.253 58.100 -0.026 0.000 1.227 404 Y CB -0.553 37.889 38.460 -0.029 0.000 0.991 404 Y HN 0.206 nan 8.280 nan 0.000 0.545 405 E N 0.185 120.396 120.200 0.019 0.000 2.086 405 E HA -0.056 4.296 4.350 0.003 0.000 0.190 405 E C 2.187 178.584 176.600 -0.338 0.000 0.975 405 E CA 0.738 57.004 56.400 -0.223 0.000 0.813 405 E CB -0.445 29.023 29.700 -0.386 0.000 0.768 405 E HN 0.379 nan 8.360 nan 0.000 0.457 406 I N 1.008 121.455 120.570 -0.205 0.000 2.113 406 I HA -0.364 3.808 4.170 0.003 0.000 0.242 406 I C 2.255 178.389 176.117 0.028 0.000 1.064 406 I CA 1.768 62.995 61.300 -0.122 0.000 1.320 406 I CB -0.421 37.633 38.000 0.090 0.000 1.028 406 I HN 0.241 nan 8.210 nan 0.000 0.406 407 N N 0.562 119.317 118.700 0.091 0.000 2.084 407 N HA -0.277 4.465 4.740 0.003 0.000 0.190 407 N C 1.907 177.503 175.510 0.144 0.000 1.030 407 N CA 1.577 54.731 53.050 0.174 0.000 0.849 407 N CB -0.193 38.413 38.487 0.199 0.000 1.012 407 N HN 0.308 nan 8.380 nan 0.000 0.423 408 Q N 0.229 120.046 119.800 0.029 0.000 2.061 408 Q HA -0.201 4.141 4.340 0.003 0.000 0.204 408 Q C 1.990 177.981 176.000 -0.015 0.000 0.984 408 Q CA 1.343 57.135 55.803 -0.018 0.000 0.846 408 Q CB -0.041 28.642 28.738 -0.091 0.000 0.902 408 Q HN 0.422 nan 8.270 nan 0.000 0.421 409 R N -0.459 120.001 120.500 -0.067 0.000 2.082 409 R HA -0.175 4.166 4.340 0.003 0.000 0.234 409 R C 2.294 178.663 176.300 0.116 0.000 1.136 409 R CA 1.649 57.730 56.100 -0.031 0.000 0.935 409 R CB -0.774 29.444 30.300 -0.136 0.000 0.842 409 R HN 0.286 nan 8.270 nan 0.000 0.430 410 F N 1.900 121.892 119.950 0.069 0.000 2.065 410 F HA -0.195 4.334 4.527 0.003 0.000 0.298 410 F C 2.101 177.943 175.800 0.070 0.000 1.112 410 F CA 1.541 59.619 58.000 0.130 0.000 1.212 410 F CB -0.377 38.733 39.000 0.184 0.000 0.975 410 F HN -0.070 nan 8.300 nan 0.000 0.476 411 L N -0.202 121.086 121.223 0.108 0.000 2.265 411 L HA -0.242 4.099 4.340 0.003 0.000 0.215 411 L C 1.824 178.651 176.870 -0.071 0.000 1.117 411 L CA 1.578 56.398 54.840 -0.032 0.000 0.782 411 L CB -0.875 41.214 42.059 0.050 0.000 0.914 411 L HN 0.300 nan 8.230 nan 0.000 0.441 412 N N -0.499 118.176 118.700 -0.040 0.000 2.220 412 N HA -0.074 4.668 4.740 0.003 0.000 0.182 412 N C 1.894 177.372 175.510 -0.054 0.000 1.023 412 N CA 0.320 53.346 53.050 -0.039 0.000 0.856 412 N CB 0.043 38.516 38.487 -0.023 0.000 0.997 412 N HN 0.132 nan 8.380 nan 0.000 0.429 413 R N 0.723 121.190 120.500 -0.055 0.000 2.133 413 R HA -0.173 4.169 4.340 0.003 0.000 0.245 413 R C 1.949 178.172 176.300 -0.128 0.000 1.137 413 R CA 1.433 57.491 56.100 -0.070 0.000 0.947 413 R CB -0.747 29.509 30.300 -0.074 0.000 0.865 413 R HN 0.125 nan 8.270 nan 0.000 0.437 414 V N 0.507 120.281 119.914 -0.234 0.000 2.490 414 V HA -0.246 3.875 4.120 0.003 0.000 0.250 414 V C 2.327 178.411 176.094 -0.017 0.000 1.061 414 V CA 1.897 64.102 62.300 -0.157 0.000 1.064 414 V CB -0.575 31.075 31.823 -0.288 0.000 0.670 414 V HN 0.463 nan 8.190 nan 0.000 0.461 415 A N -0.257 122.537 122.820 -0.043 0.000 2.014 415 A HA 0.084 4.406 4.320 0.003 0.000 0.218 415 A C 2.336 179.907 177.584 -0.021 0.000 1.163 415 A CA 1.399 53.428 52.037 -0.013 0.000 0.652 415 A CB -0.488 18.499 19.000 -0.022 0.000 0.808 415 A HN 0.547 nan 8.150 nan 0.000 0.449 416 A N -0.656 122.141 122.820 -0.038 0.000 2.121 416 A HA 0.302 4.623 4.320 0.003 0.000 0.218 416 A C 2.144 179.675 177.584 -0.088 0.000 1.154 416 A CA 1.771 53.779 52.037 -0.049 0.000 0.679 416 A CB -0.425 18.552 19.000 -0.039 0.000 0.795 416 A HN 0.870 nan 8.150 nan 0.000 0.458 417 A N -1.593 121.163 122.820 -0.108 0.000 1.970 417 A HA 0.519 4.841 4.320 0.003 0.000 0.204 417 A C 0.420 177.757 177.584 -0.412 0.000 1.325 417 A CA 0.306 52.174 52.037 -0.281 0.000 0.767 417 A CB 0.172 19.005 19.000 -0.278 0.000 0.949 417 A HN 0.373 nan 8.150 nan 0.000 0.481 418 F N 1.105 121.002 119.950 -0.089 0.000 2.530 418 F HA 0.370 4.899 4.527 0.003 0.000 0.318 418 F C -2.706 173.057 175.800 -0.061 0.000 1.356 418 F CA -2.992 54.964 58.000 -0.074 0.000 1.135 418 F CB 0.416 39.366 39.000 -0.083 0.000 1.315 418 F HN 0.001 nan 8.300 nan 0.000 0.549 419 P HA 0.254 nan 4.420 nan 0.000 0.268 419 P C 1.039 178.361 177.300 0.037 0.000 1.205 419 P CA 0.808 63.923 63.100 0.026 0.000 0.771 419 P CB 1.036 32.733 31.700 -0.006 0.000 0.858 420 G N 1.313 110.128 108.800 0.024 0.000 2.268 420 G HA2 -0.207 3.754 3.960 0.003 0.000 0.240 420 G HA3 -0.207 3.754 3.960 0.003 0.000 0.240 420 G C 0.072 174.983 174.900 0.019 0.000 1.010 420 G CA -0.030 45.080 45.100 0.018 0.000 0.618 420 G HN 0.629 nan 8.290 nan 0.000 0.516 421 D N 0.879 121.299 120.400 0.033 0.000 2.339 421 D HA 0.558 5.200 4.640 0.003 0.000 0.241 421 D C 1.524 177.817 176.300 -0.011 0.000 1.183 421 D CA 0.111 54.115 54.000 0.008 0.000 0.859 421 D CB 1.441 42.235 40.800 -0.010 0.000 1.067 421 D HN 0.056 nan 8.370 nan 0.000 0.484 422 V N 3.339 123.246 119.914 -0.013 0.000 2.374 422 V HA -0.109 4.012 4.120 0.003 0.000 0.241 422 V C 1.857 177.938 176.094 -0.020 0.000 1.034 422 V CA 1.008 63.300 62.300 -0.013 0.000 1.037 422 V CB -0.345 31.474 31.823 -0.007 0.000 0.682 422 V HN 0.527 nan 8.190 nan 0.000 0.463 423 D N -0.176 120.211 120.400 -0.023 0.000 2.310 423 D HA -0.150 4.492 4.640 0.003 0.000 0.212 423 D C 2.271 178.546 176.300 -0.042 0.000 0.965 423 D CA 0.916 54.903 54.000 -0.021 0.000 0.879 423 D CB -0.045 40.744 40.800 -0.018 0.000 0.921 423 D HN 0.183 nan 8.370 nan 0.000 0.510 424 R N -0.491 119.961 120.500 -0.080 0.000 2.093 424 R HA -0.004 4.338 4.340 0.003 0.000 0.224 424 R C 2.012 178.253 176.300 -0.098 0.000 1.101 424 R CA 0.308 56.326 56.100 -0.136 0.000 0.979 424 R CB -0.046 30.102 30.300 -0.252 0.000 0.877 424 R HN 0.235 nan 8.270 nan 0.000 0.441 425 L N 1.103 122.288 121.223 -0.064 0.000 2.012 425 L HA -0.204 4.138 4.340 0.003 0.000 0.210 425 L C 2.287 179.167 176.870 0.017 0.000 1.073 425 L CA 1.864 56.686 54.840 -0.030 0.000 0.748 425 L CB -0.902 41.145 42.059 -0.020 0.000 0.891 425 L HN 0.292 nan 8.230 nan 0.000 0.431 426 R N -0.723 119.787 120.500 0.018 0.000 2.339 426 R HA -0.052 4.290 4.340 0.003 0.000 0.199 426 R C 1.856 178.198 176.300 0.071 0.000 1.018 426 R CA 0.641 56.769 56.100 0.045 0.000 1.036 426 R CB -0.142 30.176 30.300 0.031 0.000 0.899 426 R HN 0.277 nan 8.270 nan 0.000 0.473 427 R N -0.316 120.220 120.500 0.061 0.000 2.164 427 R HA 0.298 4.639 4.340 0.003 0.000 0.198 427 R C 1.461 177.849 176.300 0.148 0.000 1.028 427 R CA 0.425 56.592 56.100 0.111 0.000 1.083 427 R CB 0.099 30.445 30.300 0.075 0.000 1.026 427 R HN 0.203 nan 8.270 nan 0.000 0.514 428 M N 1.283 120.919 119.600 0.061 0.000 2.633 428 M HA 0.085 4.567 4.480 0.003 0.000 0.226 428 M C 0.457 176.948 176.300 0.318 0.000 1.137 428 M CA 0.134 55.485 55.300 0.086 0.000 1.020 428 M CB 0.564 33.026 32.600 -0.229 0.000 1.675 428 M HN -0.072 nan 8.290 nan 0.000 0.500 429 S N 0.461 116.331 115.700 0.284 0.000 2.564 429 S HA 0.194 4.666 4.470 0.003 0.000 0.278 429 S C 1.116 175.953 174.600 0.396 0.000 1.333 429 S CA -0.516 57.873 58.200 0.315 0.000 1.048 429 S CB 0.667 63.997 63.200 0.217 0.000 0.900 429 S HN 0.446 nan 8.310 nan 0.000 0.505 430 L N 3.731 125.143 121.223 0.315 0.000 2.456 430 L HA 0.097 4.439 4.340 0.003 0.000 0.224 430 L C 0.055 177.049 176.870 0.206 0.000 1.148 430 L CA 0.284 55.275 54.840 0.252 0.000 0.825 430 L CB -0.424 41.734 42.059 0.166 0.000 0.937 430 L HN 0.369 nan 8.230 nan 0.000 0.450 431 V N 0.552 120.592 119.914 0.211 0.000 2.334 431 V HA 0.203 4.325 4.120 0.003 0.000 0.281 431 V C 0.052 176.234 176.094 0.146 0.000 1.016 431 V CA -0.637 61.772 62.300 0.181 0.000 0.832 431 V CB 1.733 33.690 31.823 0.223 0.000 0.999 431 V HN 0.134 nan 8.190 nan 0.000 0.439 432 E N 3.926 124.194 120.200 0.115 0.000 2.249 432 E HA 0.365 4.717 4.350 0.003 0.000 0.280 432 E C -0.648 176.000 176.600 0.080 0.000 1.016 432 E CA -0.568 55.888 56.400 0.094 0.000 0.830 432 E CB 0.937 30.673 29.700 0.061 0.000 1.081 432 E HN 0.603 nan 8.360 nan 0.000 0.395 433 E N 1.931 122.174 120.200 0.071 0.000 2.202 433 E HA 0.601 4.953 4.350 0.003 0.000 0.272 433 E C -0.062 176.568 176.600 0.049 0.000 0.951 433 E CA -0.697 55.739 56.400 0.060 0.000 0.813 433 E CB 1.990 31.721 29.700 0.052 0.000 1.151 433 E HN 0.760 nan 8.360 nan 0.000 0.398 434 G N 0.150 108.977 108.800 0.045 0.000 2.512 434 G HA2 0.462 4.424 3.960 0.003 0.000 0.186 434 G HA3 0.462 4.424 3.960 0.003 0.000 0.186 434 G C -1.525 173.398 174.900 0.037 0.000 1.189 434 G CA -0.051 45.071 45.100 0.037 0.000 0.994 434 G HN 0.517 nan 8.290 nan 0.000 0.506 435 A N -0.256 122.585 122.820 0.034 0.000 2.260 435 A HA 0.746 5.068 4.320 0.003 0.000 0.308 435 A C 0.227 177.840 177.584 0.048 0.000 1.254 435 A CA 0.227 52.286 52.037 0.037 0.000 0.874 435 A CB 0.221 19.238 19.000 0.029 0.000 1.153 435 A HN 2.133 nan 8.150 nan 0.000 0.527 436 V N 2.129 122.082 119.914 0.065 0.000 3.434 436 V HA -0.157 3.965 4.120 0.003 0.000 0.459 436 V C 0.328 176.469 176.094 0.078 0.000 0.681 436 V CA 1.069 63.423 62.300 0.090 0.000 1.967 436 V CB -1.460 30.418 31.823 0.091 0.000 2.417 436 V HN 1.155 nan 8.190 nan 0.000 0.495 437 K N 5.685 126.140 120.400 0.092 0.000 2.350 437 K HA 0.552 4.873 4.320 0.003 0.000 0.279 437 K C 0.354 177.003 176.600 0.081 0.000 1.027 437 K CA -0.431 55.909 56.287 0.089 0.000 0.969 437 K CB 0.810 33.374 32.500 0.107 0.000 0.954 437 K HN 0.672 nan 8.250 nan 0.000 0.474 438 R N 2.654 123.194 120.500 0.066 0.000 3.018 438 R HA 0.536 4.877 4.340 0.003 0.000 0.243 438 R C -0.747 175.583 176.300 0.051 0.000 1.315 438 R CA -1.123 55.003 56.100 0.043 0.000 1.039 438 R CB 1.046 31.349 30.300 0.004 0.000 1.315 438 R HN 0.439 nan 8.270 nan 0.000 0.492 439 I N 1.429 122.017 120.570 0.031 0.000 2.509 439 I HA 0.217 4.388 4.170 0.003 0.000 0.293 439 I C -0.812 175.291 176.117 -0.023 0.000 1.020 439 I CA -0.719 60.600 61.300 0.032 0.000 1.088 439 I CB 1.745 39.766 38.000 0.035 0.000 1.267 439 I HN 0.540 nan 8.210 nan 0.000 0.430 440 N N 6.174 124.844 118.700 -0.051 0.000 2.501 440 N HA 0.142 4.884 4.740 0.003 0.000 0.245 440 N C 0.409 175.813 175.510 -0.177 0.000 0.974 440 N CA -0.402 52.545 53.050 -0.171 0.000 0.941 440 N CB 1.207 39.525 38.487 -0.281 0.000 1.122 440 N HN 0.382 nan 8.380 nan 0.000 0.507 441 M N 2.924 122.426 119.600 -0.165 0.000 2.549 441 M HA 0.043 4.524 4.480 0.003 0.000 0.260 441 M C 1.780 177.949 176.300 -0.218 0.000 1.076 441 M CA 0.618 55.836 55.300 -0.137 0.000 1.090 441 M CB -0.642 31.903 32.600 -0.092 0.000 1.418 441 M HN 0.701 nan 8.290 nan 0.000 0.486 442 A N -0.754 121.920 122.820 -0.244 0.000 1.826 442 A HA -0.155 4.167 4.320 0.003 0.000 0.214 442 A C 1.969 179.365 177.584 -0.313 0.000 1.212 442 A CA 1.590 53.474 52.037 -0.257 0.000 0.605 442 A CB -1.180 17.744 19.000 -0.128 0.000 0.861 442 A HN 0.582 nan 8.150 nan 0.000 0.447 443 H N -0.638 118.235 119.070 -0.328 0.000 2.394 443 H HA -0.152 4.405 4.556 0.003 0.000 0.297 443 H C 2.087 177.249 175.328 -0.277 0.000 1.113 443 H CA 0.985 56.822 56.048 -0.353 0.000 1.277 443 H CB -0.194 29.512 29.762 -0.093 0.000 1.370 443 H HN 0.357 nan 8.280 nan 0.000 0.506 444 L N 0.151 121.327 121.223 -0.078 0.000 1.944 444 L HA -0.288 4.054 4.340 0.003 0.000 0.218 444 L C 2.573 179.352 176.870 -0.152 0.000 1.075 444 L CA 1.552 56.342 54.840 -0.082 0.000 0.767 444 L CB -0.550 41.473 42.059 -0.061 0.000 0.890 444 L HN 0.462 nan 8.230 nan 0.000 0.434 445 C N -0.032 119.103 119.300 -0.277 0.000 2.396 445 C HA -0.238 4.223 4.460 0.003 0.000 0.277 445 C C 2.634 177.472 174.990 -0.254 0.000 1.231 445 C CA 1.074 59.850 59.018 -0.403 0.000 1.775 445 C CB -0.894 26.271 27.740 -0.958 0.000 2.036 445 C HN 0.495 nan 8.230 nan 0.000 0.484 446 I N 0.889 121.309 120.570 -0.250 0.000 2.163 446 I HA -0.176 3.996 4.170 0.003 0.000 0.240 446 I C 2.692 178.765 176.117 -0.073 0.000 1.081 446 I CA 1.757 62.962 61.300 -0.159 0.000 1.353 446 I CB -0.544 37.280 38.000 -0.294 0.000 1.054 446 I HN 0.267 nan 8.210 nan 0.000 0.407 447 A N 0.482 123.222 122.820 -0.132 0.000 1.933 447 A HA -0.079 4.242 4.320 0.003 0.000 0.218 447 A C 2.249 179.792 177.584 -0.068 0.000 1.175 447 A CA 1.755 53.704 52.037 -0.146 0.000 0.628 447 A CB -1.286 17.405 19.000 -0.514 0.000 0.814 447 A HN 0.480 nan 8.150 nan 0.000 0.444 448 G N -1.183 107.566 108.800 -0.086 0.000 3.181 448 G HA2 0.391 4.353 3.960 0.003 0.000 0.219 448 G HA3 0.391 4.353 3.960 0.003 0.000 0.219 448 G C 0.259 175.008 174.900 -0.251 0.000 1.182 448 G CA 0.638 45.607 45.100 -0.218 0.000 0.791 448 G HN 0.382 nan 8.290 nan 0.000 0.537 449 S N -1.370 114.238 115.700 -0.153 0.000 2.632 449 S HA 0.383 4.855 4.470 0.003 0.000 0.289 449 S C 0.106 174.708 174.600 0.004 0.000 1.115 449 S CA -0.638 57.508 58.200 -0.090 0.000 0.889 449 S CB 1.373 64.533 63.200 -0.067 0.000 1.116 449 S HN 0.530 nan 8.310 nan 0.000 0.486 450 H N -0.796 118.264 119.070 -0.017 0.000 2.519 450 H HA 0.748 5.305 4.556 0.003 0.000 0.289 450 H C -0.283 175.078 175.328 0.054 0.000 1.040 450 H CA 0.158 56.224 56.048 0.030 0.000 1.165 450 H CB -0.091 29.689 29.762 0.031 0.000 1.462 450 H HN 0.629 nan 8.280 nan 0.000 0.555 451 A N 0.033 122.859 122.820 0.011 0.000 2.573 451 A HA 0.487 4.809 4.320 0.003 0.000 0.312 451 A C -1.929 175.595 177.584 -0.100 0.000 1.041 451 A CA -0.504 51.535 52.037 0.002 0.000 0.880 451 A CB 0.437 19.450 19.000 0.023 0.000 1.249 451 A HN 0.161 nan 8.150 nan 0.000 0.385 452 V N 4.255 124.054 119.914 -0.192 0.000 2.604 452 V HA 0.726 4.848 4.120 0.003 0.000 0.305 452 V C -0.859 175.113 176.094 -0.203 0.000 1.043 452 V CA -0.597 61.526 62.300 -0.296 0.000 0.888 452 V CB 2.079 33.542 31.823 -0.600 0.000 0.995 452 V HN 1.035 nan 8.190 nan 0.000 0.429 453 N N 3.205 121.800 118.700 -0.174 0.000 2.425 453 N HA 0.399 5.141 4.740 0.003 0.000 0.289 453 N C -0.191 175.279 175.510 -0.067 0.000 1.074 453 N CA -0.442 52.559 53.050 -0.082 0.000 0.905 453 N CB 2.351 40.804 38.487 -0.057 0.000 1.586 453 N HN 0.644 nan 8.380 nan 0.000 0.490 454 G N -0.109 108.691 108.800 -0.001 0.000 2.525 454 G HA2 0.310 4.272 3.960 0.003 0.000 0.276 454 G HA3 0.310 4.272 3.960 0.003 0.000 0.276 454 G C 0.065 175.068 174.900 0.173 0.000 1.388 454 G CA -0.388 44.813 45.100 0.168 0.000 1.050 454 G HN 0.402 nan 8.290 nan 0.000 0.520 455 V N -0.453 119.609 119.914 0.246 0.000 3.330 455 V HA 0.611 4.733 4.120 0.003 0.000 0.309 455 V C 0.547 176.691 176.094 0.085 0.000 1.481 455 V CA 0.782 63.135 62.300 0.089 0.000 1.068 455 V CB -0.172 31.651 31.823 -0.001 0.000 0.935 455 V HN 1.097 nan 8.190 nan 0.000 0.453 456 A N -0.632 122.254 122.820 0.110 0.000 2.574 456 A HA 0.646 4.967 4.320 0.003 0.000 0.297 456 A C 0.451 178.091 177.584 0.093 0.000 1.062 456 A CA -0.554 51.538 52.037 0.092 0.000 0.686 456 A CB 1.182 20.226 19.000 0.074 0.000 1.285 456 A HN 0.141 nan 8.150 nan 0.000 0.403 457 R N 0.776 121.306 120.500 0.049 0.000 2.075 457 R HA -0.125 4.217 4.340 0.003 0.000 0.232 457 R C 1.738 178.048 176.300 0.016 0.000 1.126 457 R CA 2.110 58.222 56.100 0.019 0.000 0.963 457 R CB -0.571 29.727 30.300 -0.002 0.000 0.858 457 R HN 0.865 nan 8.270 nan 0.000 0.435 458 I N -2.009 118.577 120.570 0.028 0.000 2.394 458 I HA -0.182 3.990 4.170 0.003 0.000 0.251 458 I C 2.338 178.480 176.117 0.041 0.000 1.136 458 I CA 1.534 62.844 61.300 0.017 0.000 1.425 458 I CB -0.520 37.489 38.000 0.015 0.000 1.079 458 I HN 0.096 nan 8.210 nan 0.000 0.425 459 H N 1.758 120.811 119.070 -0.028 0.000 2.268 459 H HA -0.057 4.501 4.556 0.003 0.000 0.304 459 H C 2.352 177.654 175.328 -0.044 0.000 1.064 459 H CA 2.255 58.283 56.048 -0.034 0.000 1.316 459 H CB -0.283 29.471 29.762 -0.014 0.000 1.386 459 H HN 0.189 nan 8.280 nan 0.000 0.496 460 S N 0.382 116.047 115.700 -0.057 0.000 2.402 460 S HA -0.166 4.305 4.470 0.003 0.000 0.233 460 S C 1.843 176.356 174.600 -0.146 0.000 1.030 460 S CA 1.525 59.653 58.200 -0.119 0.000 1.003 460 S CB -0.145 63.038 63.200 -0.027 0.000 0.813 460 S HN 0.488 nan 8.310 nan 0.000 0.477 461 E N 1.118 121.246 120.200 -0.119 0.000 2.170 461 E HA 0.031 4.383 4.350 0.003 0.000 0.191 461 E C 2.064 178.561 176.600 -0.173 0.000 0.981 461 E CA 0.533 56.844 56.400 -0.149 0.000 0.830 461 E CB -0.321 29.320 29.700 -0.099 0.000 0.775 461 E HN 0.761 nan 8.360 nan 0.000 0.470 462 I N -1.882 118.595 120.570 -0.156 0.000 2.830 462 I HA -0.094 4.078 4.170 0.003 0.000 0.263 462 I C 2.128 178.108 176.117 -0.229 0.000 1.230 462 I CA 0.429 61.634 61.300 -0.160 0.000 1.480 462 I CB -0.341 37.588 38.000 -0.118 0.000 1.095 462 I HN -0.069 nan 8.210 nan 0.000 0.455 463 L N 1.505 122.550 121.223 -0.296 0.000 1.943 463 L HA -0.188 4.154 4.340 0.003 0.000 0.215 463 L C 2.813 179.525 176.870 -0.264 0.000 1.074 463 L CA 1.914 56.562 54.840 -0.321 0.000 0.759 463 L CB -0.774 41.164 42.059 -0.201 0.000 0.888 463 L HN 0.202 nan 8.230 nan 0.000 0.433 464 K N 0.356 120.559 120.400 -0.329 0.000 2.077 464 K HA -0.261 4.061 4.320 0.003 0.000 0.213 464 K C 2.064 178.448 176.600 -0.360 0.000 1.051 464 K CA 1.879 57.789 56.287 -0.628 0.000 0.929 464 K CB -0.250 31.630 32.500 -1.032 0.000 0.715 464 K HN 0.325 nan 8.250 nan 0.000 0.451 465 K N -0.329 119.917 120.400 -0.256 0.000 2.228 465 K HA -0.049 4.273 4.320 0.003 0.000 0.202 465 K C 2.043 178.584 176.600 -0.098 0.000 1.051 465 K CA 1.645 57.848 56.287 -0.141 0.000 0.960 465 K CB 0.251 32.679 32.500 -0.119 0.000 0.743 465 K HN 0.393 nan 8.250 nan 0.000 0.458 466 T N -2.533 111.946 114.554 -0.124 0.000 3.250 466 T HA 0.142 4.494 4.350 0.003 0.000 0.265 466 T C 1.768 176.404 174.700 -0.107 0.000 0.973 466 T CA -0.300 61.744 62.100 -0.094 0.000 1.040 466 T CB -0.281 68.532 68.868 -0.091 0.000 1.167 466 T HN -0.141 nan 8.240 nan 0.000 0.471 467 I N 0.850 121.283 120.570 -0.228 0.000 2.162 467 I HA 0.199 4.371 4.170 0.003 0.000 0.238 467 I C 0.918 176.823 176.117 -0.353 0.000 1.076 467 I CA 1.188 62.257 61.300 -0.385 0.000 1.353 467 I CB -0.167 37.455 38.000 -0.630 0.000 1.063 467 I HN 0.164 nan 8.210 nan 0.000 0.408 468 F N 1.715 121.695 119.950 0.051 0.000 2.819 468 F HA 0.188 4.717 4.527 0.003 0.000 0.294 468 F C 1.797 177.679 175.800 0.135 0.000 1.166 468 F CA -0.778 57.309 58.000 0.144 0.000 1.374 468 F CB -1.081 38.112 39.000 0.323 0.000 0.956 468 F HN 0.081 nan 8.300 nan 0.000 0.509 469 K N -0.641 119.872 120.400 0.188 0.000 2.044 469 K HA -0.203 4.119 4.320 0.003 0.000 0.210 469 K C 1.007 177.690 176.600 0.139 0.000 1.049 469 K CA 2.189 58.540 56.287 0.107 0.000 0.927 469 K CB -0.296 32.236 32.500 0.052 0.000 0.713 469 K HN -0.005 nan 8.250 nan 0.000 0.443 470 D N 0.188 120.677 120.400 0.148 0.000 2.219 470 D HA -0.086 4.555 4.640 0.003 0.000 0.205 470 D C 1.608 177.843 176.300 -0.109 0.000 0.970 470 D CA 0.892 54.844 54.000 -0.080 0.000 0.851 470 D CB -0.204 40.480 40.800 -0.194 0.000 0.943 470 D HN 0.241 nan 8.370 nan 0.000 0.488 471 F N -0.565 119.465 119.950 0.133 0.000 2.407 471 F HA -0.065 4.464 4.527 0.003 0.000 0.299 471 F C 2.061 178.014 175.800 0.254 0.000 1.097 471 F CA 0.255 58.427 58.000 0.286 0.000 1.422 471 F CB -0.402 38.900 39.000 0.503 0.000 1.067 471 F HN -0.029 nan 8.300 nan 0.000 0.539 472 Y N 1.043 121.292 120.300 -0.085 0.000 2.176 472 Y HA -0.083 4.469 4.550 0.003 0.000 0.291 472 Y C 2.196 178.069 175.900 -0.045 0.000 1.122 472 Y CA 1.402 59.292 58.100 -0.350 0.000 1.128 472 Y CB -0.672 37.472 38.460 -0.527 0.000 1.005 472 Y HN 0.047 nan 8.280 nan 0.000 0.509 473 E N 0.018 120.149 120.200 -0.114 0.000 2.012 473 E HA -0.236 4.115 4.350 0.003 0.000 0.197 473 E C 2.236 178.883 176.600 0.078 0.000 1.007 473 E CA 1.572 57.951 56.400 -0.035 0.000 0.816 473 E CB -0.540 29.227 29.700 0.110 0.000 0.762 473 E HN 0.340 nan 8.360 nan 0.000 0.451 474 L N 0.708 122.030 121.223 0.165 0.000 2.131 474 L HA -0.107 4.235 4.340 0.003 0.000 0.210 474 L C 0.139 177.023 176.870 0.023 0.000 1.092 474 L CA 1.775 56.704 54.840 0.149 0.000 0.759 474 L CB -0.104 42.021 42.059 0.110 0.000 0.903 474 L HN 0.147 nan 8.230 nan 0.000 0.435 475 E N -0.286 119.937 120.200 0.039 0.000 3.909 475 E HA 0.146 4.497 4.350 0.003 0.000 0.236 475 E C -1.782 174.834 176.600 0.026 0.000 1.222 475 E CA -1.113 55.240 56.400 -0.078 0.000 1.205 475 E CB 0.911 30.598 29.700 -0.021 0.000 1.249 475 E HN 0.216 nan 8.360 nan 0.000 0.411 476 P HA -0.261 nan 4.420 nan 0.000 0.217 476 P C 1.275 178.737 177.300 0.270 0.000 1.148 476 P CA 1.459 64.418 63.100 -0.236 0.000 0.828 476 P CB -0.129 31.219 31.700 -0.587 0.000 0.783 477 H N -0.283 118.895 119.070 0.181 0.000 2.489 477 H HA 0.005 4.562 4.556 0.003 0.000 0.295 477 H C 1.737 177.202 175.328 0.228 0.000 1.082 477 H CA 0.772 56.929 56.048 0.182 0.000 1.295 477 H CB -0.437 29.390 29.762 0.109 0.000 1.380 477 H HN 0.174 nan 8.280 nan 0.000 0.548 478 K N 0.636 121.251 120.400 0.358 0.000 2.098 478 K HA 0.004 4.325 4.320 0.003 0.000 0.203 478 K C 0.081 176.740 176.600 0.098 0.000 1.051 478 K CA 0.135 56.544 56.287 0.204 0.000 0.957 478 K CB 0.068 32.557 32.500 -0.018 0.000 0.738 478 K HN 0.109 nan 8.250 nan 0.000 0.447 479 F N 3.298 123.380 119.950 0.220 0.000 2.636 479 F HA -0.006 4.523 4.527 0.003 0.000 0.338 479 F C 1.008 176.849 175.800 0.068 0.000 1.305 479 F CA 0.333 58.417 58.000 0.140 0.000 1.138 479 F CB -0.580 38.506 39.000 0.144 0.000 1.579 479 F HN 0.047 nan 8.300 nan 0.000 0.679 480 Q N 1.352 121.212 119.800 0.101 0.000 2.306 480 Q HA 0.256 4.597 4.340 0.003 0.000 0.175 480 Q C 0.271 176.270 176.000 -0.000 0.000 1.107 480 Q CA -0.554 55.270 55.803 0.035 0.000 1.170 480 Q CB 0.589 29.311 28.738 -0.026 0.000 1.376 480 Q HN 0.534 nan 8.270 nan 0.000 0.618 481 N N -0.707 117.958 118.700 -0.058 0.000 2.859 481 N HA 0.183 4.924 4.740 0.003 0.000 0.250 481 N C -2.050 173.364 175.510 -0.160 0.000 1.341 481 N CA -0.423 52.587 53.050 -0.067 0.000 0.881 481 N CB 1.685 40.152 38.487 -0.033 0.000 1.516 481 N HN 0.294 nan 8.380 nan 0.000 0.503 482 K N 1.817 122.113 120.400 -0.173 0.000 2.656 482 K HA 0.255 4.577 4.320 0.003 0.000 0.253 482 K C -1.131 175.418 176.600 -0.084 0.000 1.002 482 K CA -0.457 55.660 56.287 -0.283 0.000 0.880 482 K CB 1.318 33.397 32.500 -0.702 0.000 1.232 482 K HN 0.643 nan 8.250 nan 0.000 0.456 483 T N 2.032 116.561 114.554 -0.042 0.000 2.901 483 T HA 0.154 4.506 4.350 0.003 0.000 0.301 483 T C 0.722 175.502 174.700 0.134 0.000 1.012 483 T CA -0.387 61.747 62.100 0.057 0.000 1.135 483 T CB 0.410 69.309 68.868 0.052 0.000 0.936 483 T HN 0.239 nan 8.240 nan 0.000 0.539 484 N N 1.164 119.988 118.700 0.207 0.000 2.305 484 N HA 0.357 5.099 4.740 0.003 0.000 0.232 484 N C 0.444 176.140 175.510 0.310 0.000 1.274 484 N CA 0.563 53.787 53.050 0.290 0.000 0.870 484 N CB 0.471 39.088 38.487 0.216 0.000 1.105 484 N HN 0.931 nan 8.380 nan 0.000 0.436 485 G N -0.419 108.587 108.800 0.343 0.000 2.649 485 G HA2 0.651 4.613 3.960 0.003 0.000 0.290 485 G HA3 0.651 4.613 3.960 0.003 0.000 0.290 485 G C -1.468 173.583 174.900 0.251 0.000 1.426 485 G CA -0.283 45.004 45.100 0.311 0.000 0.794 485 G HN 0.381 nan 8.290 nan 0.000 0.483 486 I N -0.401 120.294 120.570 0.209 0.000 2.934 486 I HA 0.638 4.810 4.170 0.003 0.000 0.306 486 I C 0.273 176.536 176.117 0.244 0.000 1.110 486 I CA -0.715 60.692 61.300 0.179 0.000 1.019 486 I CB 2.549 40.567 38.000 0.029 0.000 1.227 486 I HN 0.518 nan 8.210 nan 0.000 0.434 487 T N 5.143 119.877 114.554 0.300 0.000 2.837 487 T HA 0.435 4.787 4.350 0.003 0.000 0.285 487 T C -1.852 172.955 174.700 0.179 0.000 0.984 487 T CA -1.919 60.300 62.100 0.199 0.000 1.049 487 T CB 1.316 70.267 68.868 0.137 0.000 0.947 487 T HN 0.417 nan 8.240 nan 0.000 0.472 488 P HA -0.035 nan 4.420 nan 0.000 0.225 488 P C 0.954 178.264 177.300 0.017 0.000 1.148 488 P CA 0.636 63.787 63.100 0.086 0.000 0.779 488 P CB 0.358 32.096 31.700 0.062 0.000 0.780 489 R N 0.211 120.688 120.500 -0.038 0.000 2.056 489 R HA 0.082 4.424 4.340 0.003 0.000 0.220 489 R C 2.707 178.959 176.300 -0.080 0.000 1.187 489 R CA 1.236 57.282 56.100 -0.090 0.000 0.932 489 R CB -1.373 28.884 30.300 -0.071 0.000 0.821 489 R HN -0.022 nan 8.270 nan 0.000 0.449 490 R N -0.485 119.910 120.500 -0.174 0.000 2.117 490 R HA -0.159 4.183 4.340 0.003 0.000 0.243 490 R C 1.036 177.120 176.300 -0.360 0.000 1.143 490 R CA 1.873 57.730 56.100 -0.406 0.000 0.968 490 R CB -0.243 29.614 30.300 -0.739 0.000 0.863 490 R HN 0.366 nan 8.270 nan 0.000 0.444 491 W N -0.227 121.032 121.300 -0.068 0.000 3.388 491 W HA 0.210 4.872 4.660 0.003 0.000 0.324 491 W C 1.293 177.777 176.519 -0.060 0.000 1.250 491 W CA -0.730 56.567 57.345 -0.081 0.000 1.809 491 W CB 0.548 29.959 29.460 -0.082 0.000 1.083 491 W HN 0.224 nan 8.180 nan 0.000 0.685 492 L N -2.531 118.794 121.223 0.170 0.000 1.492 492 L HA -0.039 4.303 4.340 0.003 0.000 0.135 492 L C 1.553 178.472 176.870 0.082 0.000 1.363 492 L CA 0.364 55.275 54.840 0.119 0.000 1.164 492 L CB -0.705 41.432 42.059 0.129 0.000 2.427 492 L HN -0.279 nan 8.230 nan 0.000 0.476 493 V N 1.578 121.521 119.914 0.048 0.000 2.307 493 V HA -0.271 3.851 4.120 0.003 0.000 0.245 493 V C 2.350 178.450 176.094 0.009 0.000 1.045 493 V CA 2.341 64.657 62.300 0.026 0.000 1.024 493 V CB -0.353 31.453 31.823 -0.028 0.000 0.651 493 V HN 0.427 nan 8.190 nan 0.000 0.449 494 L N 0.342 121.551 121.223 -0.023 0.000 2.049 494 L HA -0.146 4.195 4.340 0.003 0.000 0.203 494 L C 2.547 179.382 176.870 -0.057 0.000 1.074 494 L CA 2.125 56.932 54.840 -0.055 0.000 0.749 494 L CB -0.219 41.773 42.059 -0.112 0.000 0.907 494 L HN 0.641 nan 8.230 nan 0.000 0.439 495 C N -1.275 117.995 119.300 -0.050 0.000 2.514 495 C HA 0.101 4.563 4.460 0.003 0.000 0.271 495 C C 1.256 176.249 174.990 0.005 0.000 1.399 495 C CA -0.230 58.773 59.018 -0.024 0.000 1.765 495 C CB -1.038 26.708 27.740 0.010 0.000 1.893 495 C HN 0.564 nan 8.230 nan 0.000 0.531 496 N N 1.364 120.077 118.700 0.022 0.000 2.813 496 N HA 0.279 5.021 4.740 0.003 0.000 0.282 496 N C -1.747 173.779 175.510 0.026 0.000 1.748 496 N CA -1.432 51.631 53.050 0.021 0.000 0.860 496 N CB 0.918 39.422 38.487 0.028 0.000 1.204 496 N HN 0.329 nan 8.380 nan 0.000 0.490 497 P HA -0.018 nan 4.420 nan 0.000 0.217 497 P C 1.426 178.744 177.300 0.030 0.000 1.151 497 P CA 0.856 63.972 63.100 0.027 0.000 0.828 497 P CB 0.302 32.011 31.700 0.015 0.000 0.788 498 G N 1.174 109.984 108.800 0.017 0.000 2.514 498 G HA2 -0.278 3.683 3.960 0.003 0.000 0.217 498 G HA3 -0.278 3.683 3.960 0.003 0.000 0.217 498 G C 1.558 176.464 174.900 0.010 0.000 1.198 498 G CA 0.938 46.045 45.100 0.011 0.000 0.780 498 G HN 0.248 nan 8.290 nan 0.000 0.565 499 L N 1.375 122.599 121.223 0.002 0.000 2.127 499 L HA 0.078 4.419 4.340 0.003 0.000 0.211 499 L C 3.056 179.938 176.870 0.020 0.000 1.089 499 L CA 2.032 56.865 54.840 -0.012 0.000 0.757 499 L CB -0.548 41.497 42.059 -0.023 0.000 0.899 499 L HN 0.268 nan 8.230 nan 0.000 0.434 500 A N -1.008 121.850 122.820 0.064 0.000 1.898 500 A HA -0.236 4.085 4.320 0.003 0.000 0.216 500 A C 2.253 179.928 177.584 0.152 0.000 1.181 500 A CA 1.523 53.650 52.037 0.150 0.000 0.620 500 A CB -0.618 18.490 19.000 0.180 0.000 0.819 500 A HN 0.558 nan 8.150 nan 0.000 0.442 501 E N 0.382 120.637 120.200 0.092 0.000 2.033 501 E HA -0.234 4.118 4.350 0.003 0.000 0.199 501 E C 1.930 178.577 176.600 0.079 0.000 1.011 501 E CA 2.068 58.514 56.400 0.077 0.000 0.815 501 E CB -0.403 29.324 29.700 0.045 0.000 0.755 501 E HN 0.752 nan 8.360 nan 0.000 0.451 502 I N -1.372 119.239 120.570 0.068 0.000 2.361 502 I HA -0.177 3.994 4.170 0.003 0.000 0.251 502 I C 2.210 178.396 176.117 0.115 0.000 1.133 502 I CA 1.173 62.529 61.300 0.094 0.000 1.413 502 I CB -0.365 37.690 38.000 0.093 0.000 1.073 502 I HN 0.124 nan 8.210 nan 0.000 0.424 503 I N 1.821 122.440 120.570 0.081 0.000 2.315 503 I HA -0.206 3.966 4.170 0.003 0.000 0.248 503 I C 3.010 179.148 176.117 0.034 0.000 1.117 503 I CA 1.289 62.577 61.300 -0.020 0.000 1.404 503 I CB -0.424 37.383 38.000 -0.322 0.000 1.071 503 I HN 0.345 nan 8.210 nan 0.000 0.419 504 A N 0.464 123.403 122.820 0.198 0.000 1.873 504 A HA -0.216 4.106 4.320 0.003 0.000 0.215 504 A C 2.145 179.777 177.584 0.079 0.000 1.186 504 A CA 1.433 53.604 52.037 0.223 0.000 0.616 504 A CB -0.622 18.492 19.000 0.190 0.000 0.823 504 A HN 0.390 nan 8.150 nan 0.000 0.442 505 E N -0.607 119.617 120.200 0.040 0.000 2.164 505 E HA -0.284 4.067 4.350 0.003 0.000 0.206 505 E C 2.282 178.845 176.600 -0.063 0.000 1.032 505 E CA 1.642 58.041 56.400 -0.002 0.000 0.832 505 E CB -0.162 29.539 29.700 0.001 0.000 0.742 505 E HN 0.466 nan 8.360 nan 0.000 0.460 506 R N 0.161 120.556 120.500 -0.174 0.000 2.041 506 R HA 0.031 4.373 4.340 0.003 0.000 0.221 506 R C 2.465 178.707 176.300 -0.097 0.000 1.196 506 R CA 1.106 57.025 56.100 -0.302 0.000 0.969 506 R CB -0.889 28.796 30.300 -1.025 0.000 0.858 506 R HN 0.312 nan 8.270 nan 0.000 0.444 507 I N -1.634 118.896 120.570 -0.066 0.000 3.904 507 I HA 0.414 4.586 4.170 0.003 0.000 0.333 507 I C 0.512 176.689 176.117 0.099 0.000 1.361 507 I CA 0.107 61.434 61.300 0.044 0.000 1.116 507 I CB 0.117 38.151 38.000 0.057 0.000 1.028 507 I HN 0.275 nan 8.210 nan 0.000 0.398 508 G N 2.043 110.907 108.800 0.107 0.000 2.725 508 G HA2 -0.284 3.678 3.960 0.003 0.000 0.220 508 G HA3 -0.284 3.678 3.960 0.003 0.000 0.220 508 G C 0.288 175.267 174.900 0.131 0.000 1.357 508 G CA 0.340 45.502 45.100 0.103 0.000 0.866 508 G HN 0.464 nan 8.290 nan 0.000 0.548 509 E N -0.379 119.823 120.200 0.002 0.000 2.107 509 E HA -0.075 4.277 4.350 0.003 0.000 0.191 509 E C 2.159 178.618 176.600 -0.236 0.000 0.982 509 E CA 1.254 57.537 56.400 -0.195 0.000 0.809 509 E CB -0.106 29.508 29.700 -0.143 0.000 0.756 509 E HN 0.603 nan 8.360 nan 0.000 0.459 510 E N -0.292 119.883 120.200 -0.042 0.000 2.219 510 E HA -0.258 4.094 4.350 0.003 0.000 0.198 510 E C 1.816 178.402 176.600 -0.024 0.000 0.998 510 E CA 1.363 57.745 56.400 -0.029 0.000 0.818 510 E CB -0.311 29.406 29.700 0.027 0.000 0.741 510 E HN 0.502 nan 8.360 nan 0.000 0.477 511 Y N -0.293 120.005 120.300 -0.004 0.000 2.139 511 Y HA -0.265 4.287 4.550 0.004 0.000 0.282 511 Y C 1.768 177.642 175.900 -0.044 0.000 1.179 511 Y CA 1.425 59.518 58.100 -0.012 0.000 1.161 511 Y CB -0.818 37.641 38.460 -0.002 0.000 0.970 511 Y HN 0.012 nan 8.280 nan 0.000 0.511 512 I N -0.018 120.214 120.570 -0.562 0.000 2.315 512 I HA -0.277 3.895 4.170 0.003 0.000 0.251 512 I C 2.262 178.188 176.117 -0.319 0.000 1.125 512 I CA 2.060 63.057 61.300 -0.504 0.000 1.392 512 I CB -0.414 37.128 38.000 -0.763 0.000 1.065 512 I HN 0.415 nan 8.210 nan 0.000 0.424 513 S N -1.141 114.442 115.700 -0.196 0.000 2.602 513 S HA 0.061 4.532 4.470 0.003 0.000 0.240 513 S C 0.086 174.683 174.600 -0.005 0.000 0.992 513 S CA -0.183 57.976 58.200 -0.068 0.000 0.971 513 S CB -0.131 63.074 63.200 0.008 0.000 0.855 513 S HN 0.373 nan 8.310 nan 0.000 0.481 514 D N 0.705 121.111 120.400 0.011 0.000 3.709 514 D HA 0.068 4.710 4.640 0.003 0.000 0.246 514 D C 0.121 176.464 176.300 0.072 0.000 1.445 514 D CA -0.239 53.784 54.000 0.038 0.000 0.861 514 D CB -0.485 40.336 40.800 0.035 0.000 1.433 514 D HN 0.188 nan 8.370 nan 0.000 0.723 515 L N 0.738 122.010 121.223 0.082 0.000 2.642 515 L HA 0.040 4.381 4.340 0.003 0.000 0.236 515 L C 1.509 178.421 176.870 0.070 0.000 1.169 515 L CA 1.208 56.112 54.840 0.106 0.000 0.851 515 L CB -0.114 42.010 42.059 0.108 0.000 0.968 515 L HN 0.236 nan 8.230 nan 0.000 0.453 516 D N -1.390 119.036 120.400 0.043 0.000 2.333 516 D HA -0.130 4.512 4.640 0.003 0.000 0.208 516 D C 1.785 178.105 176.300 0.034 0.000 0.984 516 D CA 0.212 54.226 54.000 0.022 0.000 0.873 516 D CB 0.379 41.176 40.800 -0.005 0.000 0.935 516 D HN 0.468 nan 8.370 nan 0.000 0.521 517 Q N 0.292 120.125 119.800 0.055 0.000 2.368 517 Q HA -0.097 4.245 4.340 0.003 0.000 0.210 517 Q C 1.967 177.999 176.000 0.054 0.000 0.982 517 Q CA 0.544 56.385 55.803 0.064 0.000 0.884 517 Q CB 0.035 28.829 28.738 0.094 0.000 0.933 517 Q HN 0.350 nan 8.270 nan 0.000 0.460 518 L N -0.143 121.102 121.223 0.036 0.000 2.362 518 L HA -0.122 4.220 4.340 0.003 0.000 0.219 518 L C 2.159 179.042 176.870 0.021 0.000 1.134 518 L CA 0.585 55.419 54.840 -0.009 0.000 0.807 518 L CB -0.420 41.622 42.059 -0.029 0.000 0.927 518 L HN 0.211 nan 8.230 nan 0.000 0.447 519 R N 0.717 121.236 120.500 0.031 0.000 2.193 519 R HA -0.154 4.188 4.340 0.003 0.000 0.229 519 R C 1.993 178.319 176.300 0.043 0.000 1.110 519 R CA 0.856 56.977 56.100 0.035 0.000 0.988 519 R CB -0.258 30.055 30.300 0.022 0.000 0.871 519 R HN 0.425 nan 8.270 nan 0.000 0.458 520 K N 0.411 120.839 120.400 0.047 0.000 2.218 520 K HA -0.145 4.177 4.320 0.003 0.000 0.205 520 K C 1.793 178.469 176.600 0.126 0.000 1.046 520 K CA 0.836 57.160 56.287 0.062 0.000 0.933 520 K CB -0.133 32.412 32.500 0.075 0.000 0.728 520 K HN -0.001 nan 8.250 nan 0.000 0.454 521 L N 0.660 121.967 121.223 0.139 0.000 2.187 521 L HA -0.175 4.167 4.340 0.003 0.000 0.213 521 L C 1.742 178.757 176.870 0.241 0.000 1.100 521 L CA 1.249 56.226 54.840 0.229 0.000 0.765 521 L CB -0.422 41.745 42.059 0.180 0.000 0.904 521 L HN 0.136 nan 8.230 nan 0.000 0.437 522 L N -1.099 120.198 121.223 0.123 0.000 2.187 522 L HA -0.175 4.167 4.340 0.003 0.000 0.213 522 L C 2.536 179.413 176.870 0.013 0.000 1.100 522 L CA 1.364 56.250 54.840 0.076 0.000 0.765 522 L CB -1.599 40.482 42.059 0.036 0.000 0.904 522 L HN 0.282 nan 8.230 nan 0.000 0.437 523 S N -1.203 114.448 115.700 -0.082 0.000 2.402 523 S HA -0.209 4.263 4.470 0.003 0.000 0.233 523 S C 1.551 175.935 174.600 -0.359 0.000 1.030 523 S CA 1.233 59.269 58.200 -0.275 0.000 1.003 523 S CB -0.515 62.400 63.200 -0.474 0.000 0.813 523 S HN 0.478 nan 8.310 nan 0.000 0.477 524 Y N 0.481 120.738 120.300 -0.072 0.000 2.461 524 Y HA 0.294 4.845 4.550 0.003 0.000 0.277 524 Y C 1.924 177.876 175.900 0.087 0.000 1.182 524 Y CA -0.556 57.505 58.100 -0.064 0.000 1.276 524 Y CB -0.433 37.823 38.460 -0.341 0.000 1.087 524 Y HN 0.006 nan 8.280 nan 0.000 0.519 525 V N 0.235 120.250 119.914 0.168 0.000 2.380 525 V HA -0.297 3.825 4.120 0.003 0.000 0.251 525 V C 1.473 177.647 176.094 0.133 0.000 1.063 525 V CA 2.222 64.620 62.300 0.162 0.000 1.055 525 V CB -0.146 31.730 31.823 0.089 0.000 0.657 525 V HN 0.465 nan 8.190 nan 0.000 0.455 526 D N -0.975 119.482 120.400 0.095 0.000 2.395 526 D HA 0.069 4.711 4.640 0.003 0.000 0.213 526 D C 0.280 176.633 176.300 0.089 0.000 1.110 526 D CA -0.002 54.043 54.000 0.075 0.000 0.835 526 D CB 0.294 41.117 40.800 0.038 0.000 0.965 526 D HN 0.494 nan 8.370 nan 0.000 0.505 527 D N 1.280 121.763 120.400 0.138 0.000 2.339 527 D HA -0.015 4.627 4.640 0.003 0.000 0.256 527 D C 1.380 177.782 176.300 0.170 0.000 1.214 527 D CA 0.035 54.124 54.000 0.149 0.000 0.877 527 D CB 0.891 41.813 40.800 0.204 0.000 1.111 527 D HN -0.223 nan 8.370 nan 0.000 0.478 528 E N 2.944 123.210 120.200 0.111 0.000 2.265 528 E HA -0.180 4.172 4.350 0.003 0.000 0.196 528 E C 1.583 178.243 176.600 0.100 0.000 0.996 528 E CA 0.701 57.155 56.400 0.090 0.000 0.832 528 E CB 0.042 29.777 29.700 0.057 0.000 0.756 528 E HN 0.658 nan 8.360 nan 0.000 0.491 529 A N 0.998 123.894 122.820 0.126 0.000 1.840 529 A HA -0.149 4.173 4.320 0.003 0.000 0.214 529 A C 1.992 179.687 177.584 0.186 0.000 1.198 529 A CA 0.806 52.918 52.037 0.125 0.000 0.608 529 A CB -0.804 18.268 19.000 0.120 0.000 0.839 529 A HN 0.202 nan 8.150 nan 0.000 0.443 530 F N 1.006 120.974 119.950 0.031 0.000 2.043 530 F HA -0.225 4.303 4.527 0.002 0.000 0.297 530 F C 2.164 177.971 175.800 0.012 0.000 1.121 530 F CA 1.574 59.575 58.000 0.001 0.000 1.199 530 F CB -0.704 38.312 39.000 0.027 0.000 0.968 530 F HN 0.191 nan 8.300 nan 0.000 0.478 531 I N 0.621 121.276 120.570 0.141 0.000 2.264 531 I HA -0.350 3.822 4.170 0.003 0.000 0.248 531 I C 2.559 178.668 176.117 -0.015 0.000 1.111 531 I CA 1.764 63.075 61.300 0.018 0.000 1.382 531 I CB -0.623 37.414 38.000 0.062 0.000 1.060 531 I HN 0.189 nan 8.210 nan 0.000 0.418 532 R N 0.706 121.213 120.500 0.012 0.000 2.090 532 R HA -0.103 4.239 4.340 0.003 0.000 0.228 532 R C 1.423 177.701 176.300 -0.036 0.000 1.110 532 R CA 1.364 57.459 56.100 -0.010 0.000 0.973 532 R CB -0.700 29.603 30.300 0.005 0.000 0.869 532 R HN 0.315 nan 8.270 nan 0.000 0.440 533 D N 1.410 121.787 120.400 -0.038 0.000 2.084 533 D HA -0.098 4.543 4.640 0.003 0.000 0.194 533 D C 2.211 178.424 176.300 -0.145 0.000 0.990 533 D CA 1.377 55.340 54.000 -0.062 0.000 0.826 533 D CB -0.221 40.575 40.800 -0.006 0.000 0.971 533 D HN 0.050 nan 8.370 nan 0.000 0.453 534 V N 1.911 121.646 119.914 -0.297 0.000 2.282 534 V HA -0.298 3.824 4.120 0.003 0.000 0.249 534 V C 2.619 178.635 176.094 -0.130 0.000 1.057 534 V CA 2.029 64.150 62.300 -0.299 0.000 1.032 534 V CB -0.882 30.670 31.823 -0.452 0.000 0.645 534 V HN 0.194 nan 8.190 nan 0.000 0.447 535 A N -0.174 122.594 122.820 -0.088 0.000 1.908 535 A HA -0.295 4.027 4.320 0.003 0.000 0.218 535 A C 2.231 179.786 177.584 -0.048 0.000 1.181 535 A CA 2.413 54.427 52.037 -0.039 0.000 0.627 535 A CB -0.504 18.476 19.000 -0.035 0.000 0.818 535 A HN 0.506 nan 8.150 nan 0.000 0.445 536 K N -0.352 120.016 120.400 -0.053 0.000 2.025 536 K HA -0.038 4.284 4.320 0.003 0.000 0.207 536 K C 1.730 178.304 176.600 -0.043 0.000 1.049 536 K CA 1.721 57.981 56.287 -0.045 0.000 0.933 536 K CB -0.723 31.756 32.500 -0.035 0.000 0.714 536 K HN 0.133 nan 8.250 nan 0.000 0.438 537 V N 0.901 120.787 119.914 -0.047 0.000 2.343 537 V HA -0.241 3.881 4.120 0.003 0.000 0.247 537 V C 2.301 178.375 176.094 -0.034 0.000 1.051 537 V CA 2.140 64.417 62.300 -0.038 0.000 1.036 537 V CB -0.413 31.382 31.823 -0.046 0.000 0.654 537 V HN 0.373 nan 8.190 nan 0.000 0.451 538 K N 0.026 120.406 120.400 -0.034 0.000 2.097 538 K HA -0.204 4.118 4.320 0.003 0.000 0.205 538 K C 2.230 178.790 176.600 -0.067 0.000 1.050 538 K CA 1.615 57.883 56.287 -0.032 0.000 0.938 538 K CB -0.381 32.116 32.500 -0.005 0.000 0.718 538 K HN 0.525 nan 8.250 nan 0.000 0.442 539 Q N 0.063 119.820 119.800 -0.072 0.000 2.170 539 Q HA -0.219 4.122 4.340 0.003 0.000 0.203 539 Q C 1.341 177.303 176.000 -0.063 0.000 0.976 539 Q CA 1.629 57.379 55.803 -0.088 0.000 0.858 539 Q CB 0.051 28.745 28.738 -0.074 0.000 0.907 539 Q HN 0.279 nan 8.270 nan 0.000 0.433 540 E N 0.730 120.906 120.200 -0.039 0.000 2.017 540 E HA -0.140 4.212 4.350 0.003 0.000 0.193 540 E C 1.622 178.219 176.600 -0.005 0.000 0.997 540 E CA 1.800 58.189 56.400 -0.018 0.000 0.804 540 E CB -0.159 29.535 29.700 -0.012 0.000 0.757 540 E HN 0.470 nan 8.360 nan 0.000 0.448 541 N N -0.023 118.673 118.700 -0.007 0.000 2.069 541 N HA -0.181 4.561 4.740 0.003 0.000 0.191 541 N C 1.677 177.217 175.510 0.050 0.000 1.031 541 N CA 1.169 54.230 53.050 0.018 0.000 0.852 541 N CB -0.083 38.405 38.487 0.002 0.000 1.018 541 N HN 0.040 nan 8.380 nan 0.000 0.423 542 K N 0.722 121.098 120.400 -0.039 0.000 2.032 542 K HA -0.102 4.219 4.320 0.003 0.000 0.209 542 K C 1.935 178.566 176.600 0.052 0.000 1.048 542 K CA 0.831 57.053 56.287 -0.108 0.000 0.927 542 K CB -0.127 32.045 32.500 -0.546 0.000 0.712 542 K HN 0.090 nan 8.250 nan 0.000 0.441 543 L N 1.784 123.011 121.223 0.006 0.000 2.042 543 L HA -0.217 4.124 4.340 0.003 0.000 0.210 543 L C 1.974 178.900 176.870 0.094 0.000 1.076 543 L CA 1.887 56.752 54.840 0.042 0.000 0.749 543 L CB -0.686 41.381 42.059 0.013 0.000 0.893 543 L HN 0.197 nan 8.230 nan 0.000 0.432 544 K N -1.654 118.810 120.400 0.108 0.000 2.097 544 K HA -0.196 4.126 4.320 0.003 0.000 0.205 544 K C 1.968 178.696 176.600 0.214 0.000 1.050 544 K CA 1.094 57.457 56.287 0.127 0.000 0.938 544 K CB -0.245 32.317 32.500 0.103 0.000 0.718 544 K HN 0.075 nan 8.250 nan 0.000 0.442 545 F N 1.422 121.437 119.950 0.109 0.000 2.325 545 F HA 0.013 4.541 4.527 0.003 0.000 0.299 545 F C 1.981 177.900 175.800 0.198 0.000 1.090 545 F CA 0.571 58.659 58.000 0.146 0.000 1.392 545 F CB -0.185 38.926 39.000 0.185 0.000 1.053 545 F HN -0.059 nan 8.300 nan 0.000 0.521 546 A N 0.220 123.158 122.820 0.196 0.000 1.930 546 A HA 0.028 4.350 4.320 0.003 0.000 0.217 546 A C 2.445 180.015 177.584 -0.024 0.000 1.175 546 A CA 1.450 53.532 52.037 0.075 0.000 0.627 546 A CB -1.395 17.709 19.000 0.173 0.000 0.815 546 A HN 0.411 nan 8.150 nan 0.000 0.443 547 A N -1.085 121.752 122.820 0.028 0.000 1.858 547 A HA -0.168 4.154 4.320 0.003 0.000 0.216 547 A C 2.154 179.736 177.584 -0.003 0.000 1.190 547 A CA 1.708 53.754 52.037 0.016 0.000 0.617 547 A CB -1.012 18.016 19.000 0.048 0.000 0.827 547 A HN 0.782 nan 8.150 nan 0.000 0.443 548 Y N -0.251 119.973 120.300 -0.126 0.000 2.256 548 Y HA -0.131 4.421 4.550 0.003 0.000 0.288 548 Y C 1.624 177.354 175.900 -0.282 0.000 1.155 548 Y CA 1.453 59.443 58.100 -0.184 0.000 1.203 548 Y CB -0.196 38.172 38.460 -0.153 0.000 0.980 548 Y HN 0.189 nan 8.280 nan 0.000 0.530 549 L N 0.665 121.768 121.223 -0.199 0.000 2.675 549 L HA -0.059 4.282 4.340 0.003 0.000 0.238 549 L C 1.293 178.057 176.870 -0.176 0.000 1.155 549 L CA 1.117 55.802 54.840 -0.258 0.000 0.881 549 L CB -0.542 41.294 42.059 -0.371 0.000 1.008 549 L HN 0.298 nan 8.230 nan 0.000 0.443 550 E N -1.597 118.504 120.200 -0.164 0.000 2.357 550 E HA 0.092 4.444 4.350 0.003 0.000 0.202 550 E C 1.873 178.391 176.600 -0.137 0.000 0.855 550 E CA 0.040 56.377 56.400 -0.104 0.000 1.048 550 E CB -0.205 29.462 29.700 -0.056 0.000 1.037 550 E HN 0.245 nan 8.360 nan 0.000 0.499 551 R N 0.985 121.375 120.500 -0.182 0.000 2.280 551 R HA -0.002 4.340 4.340 0.003 0.000 0.207 551 R C -0.303 175.821 176.300 -0.294 0.000 1.043 551 R CA 0.822 56.809 56.100 -0.187 0.000 1.006 551 R CB 0.331 30.551 30.300 -0.134 0.000 0.885 551 R HN 0.051 nan 8.270 nan 0.000 0.467 552 E N -0.043 119.836 120.200 -0.535 0.000 2.551 552 E HA 0.183 4.535 4.350 0.003 0.000 0.321 552 E C -1.621 174.572 176.600 -0.680 0.000 0.975 552 E CA -0.575 55.472 56.400 -0.588 0.000 0.784 552 E CB 0.972 30.141 29.700 -0.885 0.000 1.493 552 E HN -0.001 nan 8.360 nan 0.000 0.385 553 Y N -1.103 119.059 120.300 -0.230 0.000 2.529 553 Y HA -0.180 4.372 4.550 0.003 0.000 0.312 553 Y C -0.697 175.122 175.900 -0.134 0.000 1.638 553 Y CA -0.708 57.309 58.100 -0.137 0.000 1.453 553 Y CB -0.940 37.457 38.460 -0.105 0.000 2.046 553 Y HN 0.442 nan 8.280 nan 0.000 0.323 554 K N -0.548 119.895 120.400 0.071 0.000 2.502 554 K HA 0.902 5.224 4.320 0.003 0.000 0.257 554 K C -0.111 176.498 176.600 0.015 0.000 0.938 554 K CA -0.149 56.147 56.287 0.016 0.000 0.819 554 K CB 2.810 35.325 32.500 0.025 0.000 1.333 554 K HN 0.538 nan 8.250 nan 0.000 0.434 555 V N -2.416 117.501 119.914 0.006 0.000 3.079 555 V HA 0.198 4.319 4.120 0.003 0.000 0.231 555 V C -0.015 176.123 176.094 0.074 0.000 1.692 555 V CA -0.025 62.285 62.300 0.017 0.000 1.037 555 V CB -0.400 31.403 31.823 -0.034 0.000 1.015 555 V HN 1.059 nan 8.190 nan 0.000 0.431 556 H N 2.183 121.243 119.070 -0.016 0.000 3.199 556 H HA -0.100 4.457 4.556 0.003 0.000 0.366 556 H C -0.648 174.678 175.328 -0.003 0.000 1.274 556 H CA 0.370 56.416 56.048 -0.002 0.000 1.239 556 H CB -0.653 29.116 29.762 0.011 0.000 1.556 556 H HN 0.391 nan 8.280 nan 0.000 0.440 557 I N 2.203 122.588 120.570 -0.308 0.000 2.779 557 I HA 0.047 4.219 4.170 0.003 0.000 0.285 557 I C 1.282 177.225 176.117 -0.289 0.000 1.134 557 I CA 0.136 61.310 61.300 -0.209 0.000 1.398 557 I CB 0.755 38.685 38.000 -0.117 0.000 1.404 557 I HN 0.481 nan 8.210 nan 0.000 0.587 558 N N 5.878 124.532 118.700 -0.077 0.000 2.408 558 N HA 0.313 5.055 4.740 0.003 0.000 0.280 558 N C -2.260 173.304 175.510 0.090 0.000 1.002 558 N CA -1.913 51.119 53.050 -0.030 0.000 0.907 558 N CB 2.359 40.869 38.487 0.038 0.000 1.161 558 N HN 0.151 nan 8.380 nan 0.000 0.488 559 P HA 0.113 nan 4.420 nan 0.000 0.229 559 P C 0.032 177.273 177.300 -0.098 0.000 1.160 559 P CA 1.026 64.115 63.100 -0.019 0.000 0.777 559 P CB 0.382 32.064 31.700 -0.030 0.000 0.814 560 N N -1.638 117.053 118.700 -0.015 0.000 2.325 560 N HA 0.018 4.759 4.740 0.003 0.000 0.182 560 N C 0.284 175.838 175.510 0.073 0.000 1.088 560 N CA -0.062 52.992 53.050 0.006 0.000 0.879 560 N CB 0.060 38.561 38.487 0.023 0.000 0.983 560 N HN 0.100 nan 8.380 nan 0.000 0.471 561 S N 0.385 116.128 115.700 0.072 0.000 2.596 561 S HA 0.111 4.583 4.470 0.003 0.000 0.260 561 S C 0.163 174.717 174.600 -0.077 0.000 1.336 561 S CA -0.691 57.546 58.200 0.061 0.000 0.993 561 S CB 0.904 64.160 63.200 0.094 0.000 0.923 561 S HN 0.159 nan 8.310 nan 0.000 0.567 562 L N 2.116 123.164 121.223 -0.291 0.000 2.407 562 L HA 0.270 4.612 4.340 0.003 0.000 0.282 562 L C -0.941 175.874 176.870 -0.092 0.000 1.110 562 L CA -0.555 53.939 54.840 -0.576 0.000 0.863 562 L CB -0.432 41.189 42.059 -0.729 0.000 1.207 562 L HN 0.560 nan 8.230 nan 0.000 0.454 563 F N 3.119 122.918 119.950 -0.252 0.000 2.512 563 F HA 0.066 4.594 4.527 0.003 0.000 0.350 563 F C 0.727 176.439 175.800 -0.146 0.000 1.212 563 F CA -0.723 57.199 58.000 -0.130 0.000 1.099 563 F CB -0.417 38.556 39.000 -0.044 0.000 1.238 563 F HN 0.420 nan 8.300 nan 0.000 0.600 564 D N 3.712 124.083 120.400 -0.050 0.000 2.339 564 D HA 0.309 4.950 4.640 0.003 0.000 0.241 564 D C -0.789 175.423 176.300 -0.148 0.000 1.183 564 D CA 0.019 53.950 54.000 -0.115 0.000 0.859 564 D CB 0.851 41.582 40.800 -0.115 0.000 1.067 564 D HN 0.252 nan 8.370 nan 0.000 0.484 565 V N 1.799 121.585 119.914 -0.213 0.000 2.735 565 V HA 0.565 4.686 4.120 0.003 0.000 0.310 565 V C -1.023 174.887 176.094 -0.306 0.000 1.061 565 V CA -0.841 61.320 62.300 -0.233 0.000 0.913 565 V CB 1.921 33.638 31.823 -0.178 0.000 1.005 565 V HN 0.486 nan 8.190 nan 0.000 0.428 566 Q N 3.501 123.151 119.800 -0.249 0.000 2.454 566 Q HA 0.561 4.902 4.340 0.003 0.000 0.255 566 Q C -1.008 174.830 176.000 -0.270 0.000 1.034 566 Q CA -0.641 55.019 55.803 -0.239 0.000 0.736 566 Q CB 1.797 30.429 28.738 -0.178 0.000 1.210 566 Q HN 1.138 nan 8.270 nan 0.000 0.500 567 V N 1.449 121.192 119.914 -0.285 0.000 2.240 567 V HA 0.638 4.760 4.120 0.003 0.000 0.265 567 V C -0.562 175.352 176.094 -0.300 0.000 1.073 567 V CA -0.569 61.423 62.300 -0.513 0.000 0.857 567 V CB 0.415 31.701 31.823 -0.895 0.000 1.114 567 V HN 0.397 nan 8.190 nan 0.000 0.469 568 K N 2.886 123.169 120.400 -0.194 0.000 2.502 568 K HA 0.448 4.770 4.320 0.003 0.000 0.257 568 K C -0.366 176.208 176.600 -0.043 0.000 0.938 568 K CA -0.800 55.437 56.287 -0.084 0.000 0.819 568 K CB 2.939 35.370 32.500 -0.115 0.000 1.333 568 K HN 0.850 nan 8.250 nan 0.000 0.434 569 R N 3.389 123.893 120.500 0.007 0.000 2.486 569 R HA -0.002 4.340 4.340 0.003 0.000 0.303 569 R C 0.109 176.419 176.300 0.018 0.000 0.958 569 R CA 0.024 56.154 56.100 0.050 0.000 1.077 569 R CB 0.072 30.421 30.300 0.083 0.000 0.921 569 R HN 0.457 nan 8.270 nan 0.000 0.406 570 I N 6.113 126.709 120.570 0.043 0.000 2.734 570 I HA -0.053 4.119 4.170 0.003 0.000 0.301 570 I C 0.355 176.458 176.117 -0.022 0.000 1.127 570 I CA 0.543 61.841 61.300 -0.003 0.000 2.292 570 I CB -1.754 36.258 38.000 0.019 0.000 1.590 570 I HN 0.535 nan 8.210 nan 0.000 1.053 571 H N 3.507 122.488 119.070 -0.148 0.000 2.529 571 H HA 0.248 4.806 4.556 0.003 0.000 0.348 571 H C 0.922 176.166 175.328 -0.140 0.000 1.152 571 H CA -0.560 55.449 56.048 -0.066 0.000 1.202 571 H CB 1.421 31.183 29.762 0.001 0.000 1.562 571 H HN 0.348 nan 8.280 nan 0.000 0.515 572 E N 2.234 122.745 120.200 0.518 0.000 2.136 572 E HA -0.324 4.028 4.350 0.003 0.000 0.202 572 E C 1.302 177.722 176.600 -0.300 0.000 1.019 572 E CA 2.306 58.821 56.400 0.192 0.000 0.819 572 E CB -0.234 29.746 29.700 0.467 0.000 0.739 572 E HN 0.735 nan 8.360 nan 0.000 0.458 573 Y N 0.230 119.956 120.300 -0.956 0.000 2.439 573 Y HA 0.087 4.638 4.550 0.003 0.000 0.292 573 Y C 1.901 177.454 175.900 -0.579 0.000 1.130 573 Y CA 0.666 57.976 58.100 -1.317 0.000 1.254 573 Y CB -0.067 37.385 38.460 -1.681 0.000 1.000 573 Y HN -0.217 nan 8.280 nan 0.000 0.554 574 K N 1.125 120.881 120.400 -1.073 0.000 2.283 574 K HA -0.054 4.268 4.320 0.003 0.000 0.202 574 K C 0.909 177.298 176.600 -0.352 0.000 1.048 574 K CA 0.990 56.819 56.287 -0.764 0.000 0.948 574 K CB -0.176 31.916 32.500 -0.681 0.000 0.742 574 K HN 0.418 nan 8.250 nan 0.000 0.458 575 R N -0.902 119.431 120.500 -0.278 0.000 3.954 575 R HA -0.224 4.118 4.340 0.003 0.000 0.422 575 R C 1.039 177.262 176.300 -0.128 0.000 1.091 575 R CA 1.033 57.034 56.100 -0.165 0.000 1.168 575 R CB -1.613 28.604 30.300 -0.139 0.000 1.752 575 R HN 0.419 nan 8.270 nan 0.000 0.547 576 Q N 0.469 120.196 119.800 -0.121 0.000 2.407 576 Q HA -0.265 4.077 4.340 0.003 0.000 0.217 576 Q C 1.507 177.461 176.000 -0.077 0.000 1.000 576 Q CA 2.254 58.001 55.803 -0.094 0.000 0.940 576 Q CB -0.461 28.230 28.738 -0.079 0.000 0.930 576 Q HN 0.655 nan 8.270 nan 0.000 0.433 577 L N -0.300 120.885 121.223 -0.064 0.000 2.141 577 L HA -0.152 4.190 4.340 0.003 0.000 0.209 577 L C 2.349 179.220 176.870 0.001 0.000 1.094 577 L CA 0.531 55.349 54.840 -0.036 0.000 0.763 577 L CB -0.395 41.657 42.059 -0.012 0.000 0.908 577 L HN 0.177 nan 8.230 nan 0.000 0.437 578 L N 0.329 121.536 121.223 -0.027 0.000 1.948 578 L HA -0.272 4.069 4.340 0.003 0.000 0.212 578 L C 2.098 178.956 176.870 -0.021 0.000 1.074 578 L CA 2.142 56.953 54.840 -0.049 0.000 0.753 578 L CB -1.010 40.899 42.059 -0.249 0.000 0.888 578 L HN 0.306 nan 8.230 nan 0.000 0.432 579 N N -1.736 116.924 118.700 -0.068 0.000 2.247 579 N HA -0.252 4.490 4.740 0.003 0.000 0.189 579 N C 1.780 177.341 175.510 0.085 0.000 1.009 579 N CA 1.493 54.596 53.050 0.089 0.000 0.872 579 N CB -0.083 38.411 38.487 0.011 0.000 0.980 579 N HN 0.533 nan 8.380 nan 0.000 0.436 580 C N -0.145 119.160 119.300 0.009 0.000 2.475 580 C HA 0.071 4.533 4.460 0.003 0.000 0.279 580 C C 2.476 177.466 174.990 -0.000 0.000 1.322 580 C CA -0.008 58.977 59.018 -0.055 0.000 1.734 580 C CB -0.999 26.654 27.740 -0.146 0.000 2.005 580 C HN 0.495 nan 8.230 nan 0.000 0.495 581 L N -0.011 121.273 121.223 0.101 0.000 2.072 581 L HA -0.155 4.187 4.340 0.003 0.000 0.205 581 L C 2.724 179.767 176.870 0.289 0.000 1.079 581 L CA 1.583 56.534 54.840 0.185 0.000 0.752 581 L CB -1.026 41.175 42.059 0.236 0.000 0.906 581 L HN 0.556 nan 8.230 nan 0.000 0.436 582 H N -0.304 118.916 119.070 0.249 0.000 2.489 582 H HA -0.106 4.452 4.556 0.003 0.000 0.293 582 H C 1.990 177.359 175.328 0.069 0.000 1.066 582 H CA 1.203 57.351 56.048 0.167 0.000 1.305 582 H CB 0.508 30.382 29.762 0.187 0.000 1.386 582 H HN 0.138 nan 8.280 nan 0.000 0.551 583 V N 1.148 120.997 119.914 -0.108 0.000 2.446 583 V HA -0.176 3.946 4.120 0.003 0.000 0.244 583 V C 2.544 178.592 176.094 -0.078 0.000 1.039 583 V CA 1.313 63.486 62.300 -0.211 0.000 1.045 583 V CB -0.201 31.521 31.823 -0.168 0.000 0.681 583 V HN 0.378 nan 8.190 nan 0.000 0.459 584 I N -0.060 120.510 120.570 -0.001 0.000 3.001 584 I HA -0.128 4.044 4.170 0.003 0.000 0.268 584 I C 2.226 178.455 176.117 0.185 0.000 1.267 584 I CA 0.918 62.307 61.300 0.148 0.000 1.472 584 I CB -0.590 37.493 38.000 0.139 0.000 1.089 584 I HN 0.292 nan 8.210 nan 0.000 0.468 585 T N 1.150 115.775 114.554 0.118 0.000 2.770 585 T HA -0.041 4.311 4.350 0.003 0.000 0.258 585 T C 1.883 176.606 174.700 0.039 0.000 1.039 585 T CA 0.969 63.139 62.100 0.116 0.000 1.143 585 T CB -0.124 68.849 68.868 0.176 0.000 0.866 585 T HN 0.074 nan 8.240 nan 0.000 0.428 586 L N 0.561 121.745 121.223 -0.066 0.000 1.990 586 L HA -0.110 4.232 4.340 0.003 0.000 0.213 586 L C 2.193 179.074 176.870 0.018 0.000 1.072 586 L CA 1.769 56.564 54.840 -0.075 0.000 0.755 586 L CB -1.100 40.860 42.059 -0.166 0.000 0.889 586 L HN 0.315 nan 8.230 nan 0.000 0.432 587 Y N 0.598 120.869 120.300 -0.047 0.000 2.102 587 Y HA -0.354 4.198 4.550 0.003 0.000 0.280 587 Y C 2.530 178.457 175.900 0.045 0.000 1.178 587 Y CA 2.084 60.194 58.100 0.017 0.000 1.146 587 Y CB -0.475 38.033 38.460 0.081 0.000 0.968 587 Y HN 0.306 nan 8.280 nan 0.000 0.504 588 N N 0.184 118.883 118.700 -0.002 0.000 2.106 588 N HA -0.133 4.608 4.740 0.003 0.000 0.188 588 N C 1.953 177.384 175.510 -0.131 0.000 1.029 588 N CA 1.513 54.494 53.050 -0.115 0.000 0.848 588 N CB -0.391 38.114 38.487 0.030 0.000 1.007 588 N HN 0.351 nan 8.380 nan 0.000 0.423 589 R N 0.966 121.427 120.500 -0.066 0.000 2.109 589 R HA 0.012 4.354 4.340 0.003 0.000 0.227 589 R C 2.344 178.590 176.300 -0.091 0.000 1.132 589 R CA 1.219 57.280 56.100 -0.065 0.000 0.907 589 R CB -0.758 29.516 30.300 -0.044 0.000 0.825 589 R HN 0.172 nan 8.270 nan 0.000 0.432 590 I N 0.917 121.433 120.570 -0.090 0.000 2.231 590 I HA -0.435 3.737 4.170 0.003 0.000 0.251 590 I C 2.342 178.388 176.117 -0.117 0.000 1.076 590 I CA 1.513 62.759 61.300 -0.090 0.000 1.347 590 I CB -0.355 37.606 38.000 -0.066 0.000 1.038 590 I HN 0.235 nan 8.210 nan 0.000 0.429 591 K N 0.470 120.753 120.400 -0.195 0.000 2.243 591 K HA -0.116 4.205 4.320 0.003 0.000 0.201 591 K C 2.097 178.613 176.600 -0.140 0.000 1.051 591 K CA 0.618 56.783 56.287 -0.203 0.000 0.970 591 K CB 0.021 32.297 32.500 -0.373 0.000 0.755 591 K HN 0.272 nan 8.250 nan 0.000 0.465 592 K N 1.150 121.476 120.400 -0.123 0.000 2.155 592 K HA -0.085 4.236 4.320 0.003 0.000 0.203 592 K C -0.142 176.421 176.600 -0.062 0.000 1.052 592 K CA 1.089 57.324 56.287 -0.087 0.000 0.948 592 K CB 0.384 32.839 32.500 -0.074 0.000 0.728 592 K HN 0.045 nan 8.250 nan 0.000 0.448 593 E N 0.331 120.496 120.200 -0.057 0.000 2.914 593 E HA 0.138 4.490 4.350 0.003 0.000 0.246 593 E C -2.468 174.110 176.600 -0.036 0.000 1.146 593 E CA -1.618 54.759 56.400 -0.038 0.000 0.803 593 E CB 1.743 31.427 29.700 -0.027 0.000 1.409 593 E HN 0.082 nan 8.360 nan 0.000 0.392 594 P HA -0.054 nan 4.420 nan 0.000 0.236 594 P C 0.072 177.366 177.300 -0.010 0.000 1.172 594 P CA 0.768 63.852 63.100 -0.027 0.000 0.759 594 P CB 0.141 31.826 31.700 -0.025 0.000 0.843 595 N N -1.330 117.369 118.700 -0.002 0.000 2.365 595 N HA 0.057 4.799 4.740 0.003 0.000 0.257 595 N C 0.075 175.602 175.510 0.029 0.000 1.287 595 N CA -0.144 52.915 53.050 0.016 0.000 0.882 595 N CB 0.813 39.309 38.487 0.015 0.000 1.250 595 N HN 0.071 nan 8.380 nan 0.000 0.507 596 K N 1.099 121.510 120.400 0.018 0.000 2.118 596 K HA 0.241 4.562 4.320 0.003 0.000 0.267 596 K C -0.853 175.779 176.600 0.053 0.000 0.991 596 K CA -0.573 55.738 56.287 0.039 0.000 0.916 596 K CB 1.167 33.673 32.500 0.009 0.000 1.041 596 K HN -0.028 nan 8.250 nan 0.000 0.455 597 F N 4.240 124.186 119.950 -0.006 0.000 2.445 597 F HA 0.286 4.815 4.527 0.002 0.000 0.359 597 F C -0.671 175.128 175.800 -0.002 0.000 1.101 597 F CA -0.433 57.565 58.000 -0.003 0.000 1.177 597 F CB 0.740 39.738 39.000 -0.004 0.000 1.110 597 F HN 0.060 nan 8.300 nan 0.000 0.522 598 V N 8.141 127.563 119.914 -0.820 0.000 2.483 598 V HA 0.445 4.567 4.120 0.003 0.000 0.297 598 V C -1.078 174.459 176.094 -0.929 0.000 1.027 598 V CA -0.730 61.179 62.300 -0.651 0.000 0.855 598 V CB 1.661 33.309 31.823 -0.293 0.000 0.995 598 V HN 0.627 nan 8.190 nan 0.000 0.424 599 V N 10.448 129.878 119.914 -0.807 0.000 2.475 599 V HA 0.171 4.293 4.120 0.003 0.000 0.292 599 V C -1.595 174.372 176.094 -0.211 0.000 1.003 599 V CA -0.558 61.506 62.300 -0.393 0.000 1.120 599 V CB 0.376 32.166 31.823 -0.054 0.000 0.937 599 V HN 0.863 nan 8.190 nan 0.000 0.476 600 P HA 0.356 nan 4.420 nan 0.000 0.271 600 P C -0.524 176.732 177.300 -0.074 0.000 1.218 600 P CA -0.346 62.708 63.100 -0.078 0.000 0.780 600 P CB 0.959 32.650 31.700 -0.017 0.000 0.901 601 R N 0.302 120.754 120.500 -0.080 0.000 2.744 601 R HA 0.549 4.891 4.340 0.003 0.000 0.279 601 R C -0.587 175.673 176.300 -0.067 0.000 0.977 601 R CA -0.571 55.473 56.100 -0.093 0.000 0.906 601 R CB 1.943 32.169 30.300 -0.123 0.000 1.197 601 R HN 0.342 nan 8.270 nan 0.000 0.463 602 T N 1.936 116.456 114.554 -0.057 0.000 2.788 602 T HA 0.241 4.593 4.350 0.003 0.000 0.296 602 T C -0.370 174.233 174.700 -0.162 0.000 1.009 602 T CA -0.541 61.481 62.100 -0.129 0.000 0.949 602 T CB 1.142 69.859 68.868 -0.252 0.000 0.946 602 T HN 0.119 nan 8.240 nan 0.000 0.453 603 V N 5.876 125.699 119.914 -0.151 0.000 2.408 603 V HA 0.364 4.485 4.120 0.003 0.000 0.267 603 V C 0.102 176.102 176.094 -0.157 0.000 1.047 603 V CA -0.224 61.990 62.300 -0.143 0.000 0.937 603 V CB 0.402 32.145 31.823 -0.132 0.000 0.999 603 V HN 0.858 nan 8.190 nan 0.000 0.472 604 M N 6.786 126.287 119.600 -0.164 0.000 2.181 604 M HA 0.600 5.082 4.480 0.003 0.000 0.323 604 M C -0.943 175.243 176.300 -0.189 0.000 1.004 604 M CA -0.164 55.039 55.300 -0.163 0.000 0.941 604 M CB 1.933 34.453 32.600 -0.133 0.000 1.579 604 M HN 0.416 nan 8.290 nan 0.000 0.427 605 I N 1.463 121.895 120.570 -0.230 0.000 2.646 605 I HA 0.910 5.082 4.170 0.003 0.000 0.299 605 I C 0.236 176.022 176.117 -0.553 0.000 1.036 605 I CA -0.752 60.381 61.300 -0.278 0.000 1.074 605 I CB 2.393 40.310 38.000 -0.138 0.000 1.258 605 I HN 0.775 nan 8.210 nan 0.000 0.430 606 G N 2.164 110.641 108.800 -0.539 0.000 2.704 606 G HA2 0.778 4.740 3.960 0.003 0.000 0.293 606 G HA3 0.778 4.740 3.960 0.003 0.000 0.293 606 G C -0.993 173.681 174.900 -0.376 0.000 1.421 606 G CA -0.426 44.268 45.100 -0.676 0.000 0.870 606 G HN 1.054 nan 8.290 nan 0.000 0.492 607 G N -0.499 108.237 108.800 -0.105 0.000 2.361 607 G HA2 0.396 4.357 3.960 0.003 0.000 0.305 607 G HA3 0.396 4.357 3.960 0.003 0.000 0.305 607 G C -1.558 173.491 174.900 0.248 0.000 1.367 607 G CA -1.040 44.133 45.100 0.121 0.000 0.951 607 G HN 0.606 nan 8.290 nan 0.000 0.615 608 K N 0.462 120.994 120.400 0.220 0.000 2.235 608 K HA 0.644 4.966 4.320 0.003 0.000 0.266 608 K C 1.233 177.982 176.600 0.248 0.000 0.980 608 K CA -0.076 56.368 56.287 0.263 0.000 0.849 608 K CB 1.968 34.572 32.500 0.173 0.000 1.098 608 K HN 0.752 nan 8.250 nan 0.000 0.445 609 A N 3.438 126.388 122.820 0.217 0.000 1.859 609 A HA 0.068 4.389 4.320 0.003 0.000 0.218 609 A C 0.425 178.082 177.584 0.123 0.000 1.209 609 A CA 1.795 53.884 52.037 0.087 0.000 0.639 609 A CB -0.540 18.469 19.000 0.014 0.000 0.835 609 A HN 1.033 nan 8.150 nan 0.000 0.450 610 A N -3.300 119.646 122.820 0.210 0.000 2.337 610 A HA 0.380 4.702 4.320 0.003 0.000 0.659 610 A C -3.079 174.561 177.584 0.093 0.000 0.140 610 A CA -0.449 51.726 52.037 0.230 0.000 0.111 610 A CB -1.769 17.383 19.000 0.253 0.000 3.809 610 A HN 0.223 nan 8.150 nan 0.000 0.533 611 P HA 0.371 nan 4.420 nan 0.000 0.262 611 P C 1.383 178.691 177.300 0.014 0.000 1.182 611 P CA 2.239 65.268 63.100 -0.119 0.000 0.761 611 P CB 0.677 32.251 31.700 -0.209 0.000 0.795 612 G N 2.217 111.033 108.800 0.025 0.000 2.245 612 G HA2 -0.307 3.655 3.960 0.003 0.000 0.264 612 G HA3 -0.307 3.655 3.960 0.003 0.000 0.264 612 G C -0.017 174.990 174.900 0.179 0.000 0.985 612 G CA -0.241 44.906 45.100 0.078 0.000 0.625 612 G HN 0.564 nan 8.290 nan 0.000 0.536 613 Y N 2.812 123.130 120.300 0.030 0.000 2.584 613 Y HA 0.422 4.974 4.550 0.003 0.000 0.351 613 Y C 1.417 177.375 175.900 0.097 0.000 1.030 613 Y CA -0.720 57.407 58.100 0.045 0.000 1.332 613 Y CB -0.030 38.422 38.460 -0.013 0.000 1.148 613 Y HN 0.388 nan 8.280 nan 0.000 0.528 614 H N 5.295 124.514 119.070 0.249 0.000 2.502 614 H HA -0.091 4.466 4.556 0.003 0.000 0.283 614 H C 1.435 176.814 175.328 0.085 0.000 1.015 614 H CA 1.389 57.512 56.048 0.126 0.000 1.298 614 H CB 0.350 30.181 29.762 0.115 0.000 1.411 614 H HN 0.678 nan 8.280 nan 0.000 0.556 615 M N 1.303 121.054 119.600 0.250 0.000 2.067 615 M HA -0.017 4.465 4.480 0.003 0.000 0.260 615 M C 2.636 178.786 176.300 -0.251 0.000 1.069 615 M CA 1.919 57.257 55.300 0.063 0.000 1.117 615 M CB -0.850 31.888 32.600 0.230 0.000 1.334 615 M HN 0.300 nan 8.290 nan 0.000 0.407 616 A N -0.245 122.173 122.820 -0.671 0.000 1.917 616 A HA -0.261 4.061 4.320 0.003 0.000 0.219 616 A C 2.194 179.607 177.584 -0.285 0.000 1.182 616 A CA 2.241 53.915 52.037 -0.605 0.000 0.633 616 A CB -0.786 17.698 19.000 -0.859 0.000 0.819 616 A HN 0.612 nan 8.150 nan 0.000 0.448 617 K N -1.357 118.921 120.400 -0.203 0.000 2.155 617 K HA -0.013 4.308 4.320 0.003 0.000 0.203 617 K C 1.931 178.467 176.600 -0.108 0.000 1.052 617 K CA 1.209 57.438 56.287 -0.095 0.000 0.948 617 K CB -0.183 32.316 32.500 -0.002 0.000 0.728 617 K HN 0.362 nan 8.250 nan 0.000 0.448 618 M N 0.528 120.018 119.600 -0.184 0.000 2.254 618 M HA -0.054 4.427 4.480 0.003 0.000 0.265 618 M C 2.071 178.325 176.300 -0.077 0.000 1.066 618 M CA 1.329 56.569 55.300 -0.101 0.000 1.123 618 M CB -0.582 31.960 32.600 -0.097 0.000 1.388 618 M HN 0.134 nan 8.290 nan 0.000 0.425 619 I N -0.034 120.462 120.570 -0.123 0.000 2.179 619 I HA -0.306 3.866 4.170 0.003 0.000 0.242 619 I C 2.301 178.308 176.117 -0.183 0.000 1.088 619 I CA 1.200 62.417 61.300 -0.137 0.000 1.357 619 I CB -0.326 37.599 38.000 -0.125 0.000 1.051 619 I HN 0.173 nan 8.210 nan 0.000 0.409 620 I N 0.747 121.179 120.570 -0.230 0.000 2.208 620 I HA -0.304 3.868 4.170 0.003 0.000 0.245 620 I C 2.526 178.380 176.117 -0.440 0.000 1.097 620 I CA 1.330 62.383 61.300 -0.412 0.000 1.363 620 I CB -0.295 37.429 38.000 -0.461 0.000 1.051 620 I HN 0.148 nan 8.210 nan 0.000 0.413 621 K N 1.185 121.339 120.400 -0.410 0.000 2.283 621 K HA -0.076 4.246 4.320 0.003 0.000 0.202 621 K C 1.908 178.362 176.600 -0.244 0.000 1.048 621 K CA 1.077 57.047 56.287 -0.527 0.000 0.948 621 K CB -0.117 31.835 32.500 -0.913 0.000 0.742 621 K HN 0.247 nan 8.250 nan 0.000 0.458 622 L N 0.159 121.247 121.223 -0.225 0.000 1.993 622 L HA -0.085 4.256 4.340 0.003 0.000 0.206 622 L C 2.083 178.718 176.870 -0.391 0.000 1.074 622 L CA 1.376 55.928 54.840 -0.481 0.000 0.746 622 L CB -0.331 41.397 42.059 -0.551 0.000 0.896 622 L HN 0.184 nan 8.230 nan 0.000 0.435 623 I N -0.033 120.366 120.570 -0.286 0.000 2.229 623 I HA -0.386 3.786 4.170 0.003 0.000 0.250 623 I C 2.553 178.547 176.117 -0.205 0.000 1.096 623 I CA 2.040 63.219 61.300 -0.202 0.000 1.358 623 I CB -0.804 37.174 38.000 -0.036 0.000 1.047 623 I HN 0.492 nan 8.210 nan 0.000 0.422 624 T N -1.027 113.383 114.554 -0.239 0.000 2.812 624 T HA 0.025 4.377 4.350 0.003 0.000 0.264 624 T C 2.048 176.623 174.700 -0.208 0.000 1.042 624 T CA 0.780 62.755 62.100 -0.207 0.000 1.140 624 T CB -0.519 68.201 68.868 -0.247 0.000 0.870 624 T HN 0.351 nan 8.240 nan 0.000 0.445 625 A N 1.416 124.106 122.820 -0.217 0.000 1.972 625 A HA 0.127 4.448 4.320 0.003 0.000 0.219 625 A C 2.344 179.792 177.584 -0.226 0.000 1.169 625 A CA 1.167 53.112 52.037 -0.153 0.000 0.635 625 A CB -0.902 18.078 19.000 -0.033 0.000 0.810 625 A HN 0.586 nan 8.150 nan 0.000 0.446 626 I N -0.261 120.060 120.570 -0.414 0.000 2.142 626 I HA -0.225 3.946 4.170 0.003 0.000 0.240 626 I C 2.789 178.695 176.117 -0.352 0.000 1.078 626 I CA 1.247 62.219 61.300 -0.548 0.000 1.343 626 I CB -0.825 36.816 38.000 -0.599 0.000 1.046 626 I HN 0.377 nan 8.210 nan 0.000 0.405 627 G N 0.769 109.401 108.800 -0.280 0.000 2.556 627 G HA2 -0.309 3.653 3.960 0.003 0.000 0.220 627 G HA3 -0.309 3.653 3.960 0.003 0.000 0.220 627 G C 1.248 175.988 174.900 -0.267 0.000 1.156 627 G CA 1.515 46.474 45.100 -0.235 0.000 0.766 627 G HN 0.349 nan 8.290 nan 0.000 0.583 628 D N -0.027 120.242 120.400 -0.219 0.000 2.144 628 D HA -0.045 4.597 4.640 0.003 0.000 0.200 628 D C 2.740 178.941 176.300 -0.165 0.000 0.978 628 D CA 0.681 54.566 54.000 -0.191 0.000 0.833 628 D CB -0.348 40.430 40.800 -0.037 0.000 0.961 628 D HN 0.277 nan 8.370 nan 0.000 0.470 629 V N 1.440 121.260 119.914 -0.156 0.000 2.231 629 V HA -0.190 3.932 4.120 0.003 0.000 0.240 629 V C 2.830 178.799 176.094 -0.209 0.000 1.039 629 V CA 1.692 63.899 62.300 -0.155 0.000 0.998 629 V CB -0.768 30.946 31.823 -0.182 0.000 0.639 629 V HN 0.146 nan 8.190 nan 0.000 0.451 630 V N -0.033 119.661 119.914 -0.367 0.000 2.392 630 V HA -0.233 3.889 4.120 0.003 0.000 0.249 630 V C 2.072 178.094 176.094 -0.120 0.000 1.059 630 V CA 2.512 64.647 62.300 -0.275 0.000 1.051 630 V CB -1.170 30.476 31.823 -0.295 0.000 0.658 630 V HN 0.556 nan 8.190 nan 0.000 0.455 631 N N 0.406 118.971 118.700 -0.225 0.000 2.381 631 N HA -0.093 4.649 4.740 0.003 0.000 0.182 631 N C 1.513 176.917 175.510 -0.176 0.000 1.025 631 N CA 1.898 54.809 53.050 -0.232 0.000 0.888 631 N CB -0.551 37.707 38.487 -0.383 0.000 0.965 631 N HN 0.814 nan 8.380 nan 0.000 0.438 632 H N -1.594 117.475 119.070 -0.002 0.000 2.672 632 H HA 0.183 4.741 4.556 0.003 0.000 0.277 632 H C -0.504 174.845 175.328 0.035 0.000 1.074 632 H CA -0.589 55.465 56.048 0.010 0.000 1.173 632 H CB 0.607 30.366 29.762 -0.004 0.000 1.558 632 H HN 0.071 nan 8.280 nan 0.000 0.539 633 D N 0.648 121.143 120.400 0.158 0.000 2.210 633 D HA 0.088 4.730 4.640 0.003 0.000 0.249 633 D C -1.707 174.672 176.300 0.131 0.000 1.062 633 D CA -2.215 51.886 54.000 0.168 0.000 0.891 633 D CB 1.867 42.825 40.800 0.263 0.000 1.186 633 D HN -0.057 nan 8.370 nan 0.000 0.432 634 P HA 0.017 nan 4.420 nan 0.000 0.226 634 P C 1.316 178.651 177.300 0.057 0.000 1.161 634 P CA 0.026 63.167 63.100 0.068 0.000 0.804 634 P CB 0.368 32.097 31.700 0.049 0.000 0.829 635 V N 0.069 120.018 119.914 0.058 0.000 2.332 635 V HA -0.203 3.919 4.120 0.003 0.000 0.248 635 V C 2.287 178.403 176.094 0.036 0.000 1.055 635 V CA 1.849 64.170 62.300 0.034 0.000 1.038 635 V CB -1.230 30.600 31.823 0.012 0.000 0.651 635 V HN -0.031 nan 8.190 nan 0.000 0.450 636 V N 0.156 120.110 119.914 0.067 0.000 2.913 636 V HA 0.041 4.163 4.120 0.003 0.000 0.260 636 V C 1.923 178.051 176.094 0.057 0.000 1.098 636 V CA 1.233 63.577 62.300 0.073 0.000 1.121 636 V CB -1.662 30.251 31.823 0.150 0.000 0.714 636 V HN 0.735 nan 8.190 nan 0.000 0.487 637 G N 2.043 110.876 108.800 0.055 0.000 2.634 637 G HA2 -0.420 3.542 3.960 0.003 0.000 0.318 637 G HA3 -0.420 3.542 3.960 0.003 0.000 0.318 637 G C 0.361 175.298 174.900 0.062 0.000 1.207 637 G CA 0.771 45.900 45.100 0.048 0.000 0.987 637 G HN 0.748 nan 8.290 nan 0.000 0.547 638 D N -0.337 120.104 120.400 0.068 0.000 2.563 638 D HA 0.331 4.972 4.640 0.003 0.000 0.237 638 D C 1.642 177.974 176.300 0.054 0.000 1.282 638 D CA -0.061 53.993 54.000 0.091 0.000 0.816 638 D CB -0.012 40.877 40.800 0.149 0.000 1.066 638 D HN 0.525 nan 8.370 nan 0.000 0.501 639 R N -0.037 120.482 120.500 0.032 0.000 2.235 639 R HA 0.270 4.611 4.340 0.003 0.000 0.213 639 R C 0.308 176.597 176.300 -0.019 0.000 1.059 639 R CA 0.567 56.665 56.100 -0.003 0.000 0.997 639 R CB 0.452 30.741 30.300 -0.018 0.000 0.884 639 R HN 0.192 nan 8.270 nan 0.000 0.462 640 L N 0.170 121.392 121.223 -0.002 0.000 2.549 640 L HA 0.458 4.799 4.340 0.003 0.000 0.259 640 L C -1.571 175.280 176.870 -0.031 0.000 0.934 640 L CA -0.573 54.252 54.840 -0.025 0.000 0.865 640 L CB 1.974 44.027 42.059 -0.009 0.000 1.352 640 L HN 0.072 nan 8.230 nan 0.000 0.410 641 R N 3.005 123.464 120.500 -0.068 0.000 2.626 641 R HA 0.617 4.959 4.340 0.003 0.000 0.274 641 R C -1.558 174.667 176.300 -0.125 0.000 1.031 641 R CA -0.755 55.288 56.100 -0.094 0.000 0.898 641 R CB 2.834 33.083 30.300 -0.085 0.000 1.222 641 R HN 0.341 nan 8.270 nan 0.000 0.455 642 V N 4.487 124.316 119.914 -0.142 0.000 2.284 642 V HA 0.410 4.532 4.120 0.003 0.000 0.274 642 V C -0.249 175.772 176.094 -0.122 0.000 1.023 642 V CA -0.522 61.691 62.300 -0.146 0.000 0.808 642 V CB 0.950 32.668 31.823 -0.176 0.000 1.035 642 V HN 0.562 nan 8.190 nan 0.000 0.445 643 I N 4.116 124.620 120.570 -0.110 0.000 2.412 643 I HA 0.413 4.584 4.170 0.003 0.000 0.296 643 I C -0.409 175.678 176.117 -0.051 0.000 0.987 643 I CA -0.522 60.734 61.300 -0.073 0.000 1.180 643 I CB 1.825 39.771 38.000 -0.090 0.000 1.340 643 I HN 0.495 nan 8.210 nan 0.000 0.455 644 F N 7.339 127.234 119.950 -0.092 0.000 2.368 644 F HA 0.389 4.918 4.527 0.003 0.000 0.362 644 F C -0.107 175.673 175.800 -0.033 0.000 1.137 644 F CA -0.549 57.401 58.000 -0.082 0.000 1.161 644 F CB 0.212 39.151 39.000 -0.103 0.000 1.265 644 F HN 0.216 nan 8.300 nan 0.000 0.530 645 L N 6.096 127.047 121.223 -0.452 0.000 2.638 645 L HA 0.039 4.381 4.340 0.003 0.000 0.273 645 L C 0.657 177.407 176.870 -0.200 0.000 1.147 645 L CA 0.278 55.035 54.840 -0.138 0.000 0.941 645 L CB -0.018 42.047 42.059 0.009 0.000 1.251 645 L HN 0.603 nan 8.230 nan 0.000 0.479 646 E N 5.186 125.324 120.200 -0.104 0.000 2.338 646 E HA -0.024 4.328 4.350 0.003 0.000 0.272 646 E C 0.222 176.874 176.600 0.086 0.000 1.029 646 E CA -0.540 55.855 56.400 -0.009 0.000 0.872 646 E CB 0.588 30.188 29.700 -0.166 0.000 1.015 646 E HN 0.578 nan 8.360 nan 0.000 0.417 647 N N 2.783 121.586 118.700 0.172 0.000 2.771 647 N HA -0.250 4.492 4.740 0.003 0.000 0.249 647 N C -1.658 173.956 175.510 0.174 0.000 1.069 647 N CA 0.456 53.606 53.050 0.167 0.000 0.688 647 N CB -1.856 36.723 38.487 0.153 0.000 0.928 647 N HN 0.560 nan 8.380 nan 0.000 0.551 648 Y N 1.736 122.070 120.300 0.056 0.000 2.610 648 Y HA 0.309 4.861 4.550 0.003 0.000 0.332 648 Y C 1.076 177.000 175.900 0.040 0.000 1.201 648 Y CA 0.860 58.982 58.100 0.036 0.000 1.465 648 Y CB 0.443 38.894 38.460 -0.017 0.000 1.283 648 Y HN 0.442 nan 8.280 nan 0.000 0.563 649 R N 2.664 122.789 120.500 -0.625 0.000 2.741 649 R HA 0.302 4.644 4.340 0.003 0.000 0.276 649 R C -0.863 175.102 176.300 -0.558 0.000 1.028 649 R CA -0.489 55.346 56.100 -0.442 0.000 0.865 649 R CB 0.326 30.532 30.300 -0.156 0.000 1.268 649 R HN 0.450 nan 8.270 nan 0.000 0.475 650 V N 1.266 120.857 119.914 -0.538 0.000 2.370 650 V HA -0.279 3.843 4.120 0.003 0.000 0.252 650 V C 2.243 178.163 176.094 -0.290 0.000 1.068 650 V CA 2.890 64.923 62.300 -0.446 0.000 1.061 650 V CB -0.600 30.904 31.823 -0.533 0.000 0.656 650 V HN 0.860 nan 8.190 nan 0.000 0.455 651 S N -1.676 113.880 115.700 -0.239 0.000 2.562 651 S HA 0.074 4.546 4.470 0.003 0.000 0.221 651 S C 1.763 176.278 174.600 -0.142 0.000 0.975 651 S CA 0.625 58.717 58.200 -0.181 0.000 0.918 651 S CB -0.017 63.102 63.200 -0.135 0.000 0.772 651 S HN 0.530 nan 8.310 nan 0.000 0.531 652 L N 0.484 121.620 121.223 -0.145 0.000 2.221 652 L HA 0.230 4.572 4.340 0.003 0.000 0.202 652 L C 2.898 179.756 176.870 -0.019 0.000 1.074 652 L CA 0.959 55.762 54.840 -0.061 0.000 0.795 652 L CB -0.754 41.326 42.059 0.035 0.000 0.960 652 L HN 0.434 nan 8.230 nan 0.000 0.458 653 A N 0.961 123.742 122.820 -0.066 0.000 1.873 653 A HA -0.274 4.047 4.320 0.003 0.000 0.218 653 A C 1.895 179.560 177.584 0.136 0.000 1.193 653 A CA 2.136 54.231 52.037 0.097 0.000 0.629 653 A CB -0.770 18.265 19.000 0.059 0.000 0.826 653 A HN 0.677 nan 8.150 nan 0.000 0.447 654 E N -0.432 119.854 120.200 0.143 0.000 2.515 654 E HA -0.119 4.233 4.350 0.003 0.000 0.201 654 E C 1.528 178.109 176.600 -0.032 0.000 1.071 654 E CA 1.065 57.532 56.400 0.113 0.000 0.880 654 E CB -0.111 29.515 29.700 -0.124 0.000 0.828 654 E HN 0.655 nan 8.360 nan 0.000 0.540 655 K N 0.440 120.779 120.400 -0.102 0.000 2.121 655 K HA 0.039 4.361 4.320 0.003 0.000 0.203 655 K C 2.117 178.506 176.600 -0.352 0.000 1.041 655 K CA 0.661 56.844 56.287 -0.174 0.000 0.969 655 K CB 0.166 32.539 32.500 -0.213 0.000 0.799 655 K HN -0.005 nan 8.250 nan 0.000 0.456 656 V N 1.586 121.223 119.914 -0.462 0.000 2.346 656 V HA -0.155 3.966 4.120 0.003 0.000 0.244 656 V C 1.997 177.900 176.094 -0.318 0.000 1.037 656 V CA 1.282 63.128 62.300 -0.758 0.000 1.029 656 V CB -0.125 31.424 31.823 -0.456 0.000 0.663 656 V HN 0.218 nan 8.190 nan 0.000 0.454 657 I N 0.390 120.855 120.570 -0.175 0.000 2.151 657 I HA -0.204 3.967 4.170 0.003 0.000 0.243 657 I C -0.132 175.936 176.117 -0.081 0.000 1.080 657 I CA 2.221 63.404 61.300 -0.195 0.000 1.339 657 I CB -1.432 36.267 38.000 -0.503 0.000 1.039 657 I HN 0.345 nan 8.210 nan 0.000 0.409 658 P HA -0.248 nan 4.420 nan 0.000 0.217 658 P C 1.265 178.560 177.300 -0.008 0.000 1.151 658 P CA 2.007 65.087 63.100 -0.032 0.000 0.849 658 P CB -0.051 31.630 31.700 -0.031 0.000 0.787 659 A N -1.365 121.433 122.820 -0.036 0.000 2.119 659 A HA 0.288 4.610 4.320 0.003 0.000 0.216 659 A C 1.290 178.981 177.584 0.178 0.000 1.152 659 A CA 0.705 52.772 52.037 0.051 0.000 0.708 659 A CB -0.889 18.122 19.000 0.018 0.000 0.805 659 A HN 0.237 nan 8.150 nan 0.000 0.460 660 A N -0.172 122.745 122.820 0.161 0.000 2.316 660 A HA 0.516 4.838 4.320 0.003 0.000 0.284 660 A C 0.248 177.935 177.584 0.171 0.000 1.115 660 A CA -0.108 52.046 52.037 0.195 0.000 0.812 660 A CB 0.475 19.576 19.000 0.169 0.000 1.064 660 A HN 0.322 nan 8.150 nan 0.000 0.489 661 D N 0.335 120.829 120.400 0.156 0.000 2.626 661 D HA 0.121 4.762 4.640 0.003 0.000 0.274 661 D C -0.014 176.428 176.300 0.237 0.000 1.045 661 D CA 0.273 54.457 54.000 0.306 0.000 0.925 661 D CB 0.301 41.187 40.800 0.143 0.000 1.260 661 D HN 0.325 nan 8.370 nan 0.000 0.490 662 L N 1.770 123.014 121.223 0.034 0.000 2.313 662 L HA 0.294 4.636 4.340 0.003 0.000 0.283 662 L C -0.559 176.156 176.870 -0.258 0.000 1.013 662 L CA -0.212 54.575 54.840 -0.088 0.000 0.816 662 L CB 1.973 43.951 42.059 -0.134 0.000 1.236 662 L HN -0.137 nan 8.230 nan 0.000 0.419 663 S N 4.660 120.143 115.700 -0.361 0.000 2.512 663 S HA 0.223 4.694 4.470 0.003 0.000 0.291 663 S C 0.018 174.385 174.600 -0.388 0.000 1.151 663 S CA -0.716 57.092 58.200 -0.653 0.000 1.120 663 S CB 0.277 62.977 63.200 -0.832 0.000 1.029 663 S HN 0.583 nan 8.310 nan 0.000 0.485 664 E N 3.431 123.446 120.200 -0.308 0.000 2.026 664 E HA -0.029 4.322 4.350 0.003 0.000 0.249 664 E C -0.057 176.474 176.600 -0.114 0.000 1.273 664 E CA 0.074 56.380 56.400 -0.158 0.000 0.991 664 E CB 0.168 29.788 29.700 -0.133 0.000 1.076 664 E HN 0.609 nan 8.360 nan 0.000 0.438 665 Q N 1.575 121.350 119.800 -0.041 0.000 2.639 665 Q HA 0.066 4.408 4.340 0.003 0.000 0.301 665 Q C 0.757 176.797 176.000 0.067 0.000 1.029 665 Q CA 0.029 55.843 55.803 0.017 0.000 0.936 665 Q CB -0.693 28.087 28.738 0.069 0.000 1.354 665 Q HN 0.543 nan 8.270 nan 0.000 0.417 666 I N -2.524 118.075 120.570 0.048 0.000 3.585 666 I HA 0.327 4.499 4.170 0.003 0.000 0.325 666 I C -0.318 175.808 176.117 0.015 0.000 1.370 666 I CA -0.358 61.008 61.300 0.110 0.000 1.298 666 I CB 0.099 38.155 38.000 0.094 0.000 1.387 666 I HN -0.161 nan 8.210 nan 0.000 0.466 667 S N 1.846 117.540 115.700 -0.009 0.000 2.562 667 S HA 0.106 4.578 4.470 0.003 0.000 0.281 667 S C 0.646 175.242 174.600 -0.008 0.000 1.333 667 S CA -0.144 58.044 58.200 -0.021 0.000 1.052 667 S CB 0.613 63.839 63.200 0.043 0.000 0.884 667 S HN 0.576 nan 8.310 nan 0.000 0.506 668 T N 3.814 118.375 114.554 0.013 0.000 2.819 668 T HA 0.124 4.476 4.350 0.003 0.000 0.282 668 T C 0.631 175.338 174.700 0.013 0.000 1.013 668 T CA 0.102 62.220 62.100 0.030 0.000 1.159 668 T CB -0.024 68.935 68.868 0.152 0.000 1.007 668 T HN 0.742 nan 8.240 nan 0.000 0.514 669 A N 2.860 125.660 122.820 -0.033 0.000 2.425 669 A HA 0.567 4.889 4.320 0.003 0.000 0.242 669 A C 1.657 179.237 177.584 -0.006 0.000 1.077 669 A CA 0.135 52.154 52.037 -0.030 0.000 0.781 669 A CB -0.408 18.558 19.000 -0.055 0.000 1.020 669 A HN 1.650 nan 8.150 nan 0.000 0.494 670 G N -0.027 108.770 108.800 -0.006 0.000 2.234 670 G HA2 -0.294 3.668 3.960 0.003 0.000 0.235 670 G HA3 -0.294 3.668 3.960 0.003 0.000 0.235 670 G C 1.149 176.044 174.900 -0.009 0.000 0.997 670 G CA 1.229 46.326 45.100 -0.005 0.000 0.623 670 G HN 1.902 nan 8.290 nan 0.000 0.514 671 T N -1.565 112.985 114.554 -0.007 0.000 2.809 671 T HA 0.266 4.618 4.350 0.003 0.000 0.260 671 T C 0.936 175.597 174.700 -0.064 0.000 1.039 671 T CA 1.372 63.425 62.100 -0.078 0.000 1.141 671 T CB 0.156 68.979 68.868 -0.074 0.000 0.869 671 T HN 0.286 nan 8.240 nan 0.000 0.437 672 E N 0.910 121.127 120.200 0.029 0.000 2.373 672 E HA 0.555 4.906 4.350 0.003 0.000 0.263 672 E C 0.983 177.587 176.600 0.007 0.000 1.073 672 E CA 0.222 56.654 56.400 0.054 0.000 0.894 672 E CB 1.438 31.180 29.700 0.069 0.000 1.008 672 E HN 0.422 nan 8.360 nan 0.000 0.420 673 A N 1.811 124.618 122.820 -0.022 0.000 1.901 673 A HA 0.053 4.375 4.320 0.003 0.000 0.210 673 A C 1.338 178.879 177.584 -0.072 0.000 1.208 673 A CA 1.355 53.325 52.037 -0.111 0.000 0.644 673 A CB 0.266 19.069 19.000 -0.328 0.000 0.863 673 A HN 0.513 nan 8.150 nan 0.000 0.454 674 S N -3.207 112.475 115.700 -0.029 0.000 4.226 674 S HA 0.532 5.004 4.470 0.003 0.000 0.268 674 S C -0.477 174.131 174.600 0.014 0.000 1.036 674 S CA 0.761 58.963 58.200 0.004 0.000 1.278 674 S CB 0.632 63.842 63.200 0.016 0.000 1.727 674 S HN 1.748 nan 8.310 nan 0.000 0.608 675 G N 0.948 109.757 108.800 0.015 0.000 3.112 675 G HA2 0.233 4.195 3.960 0.003 0.000 0.234 675 G HA3 0.233 4.195 3.960 0.003 0.000 0.234 675 G C 0.096 174.977 174.900 -0.032 0.000 3.847 675 G CA 0.381 45.481 45.100 0.001 0.000 0.449 675 G HN 0.556 nan 8.290 nan 0.000 0.332 676 T N 0.440 114.976 114.554 -0.030 0.000 2.833 676 T HA -0.035 4.316 4.350 0.003 0.000 0.269 676 T C 2.393 176.986 174.700 -0.179 0.000 1.054 676 T CA 2.569 64.623 62.100 -0.077 0.000 1.135 676 T CB -0.044 68.799 68.868 -0.043 0.000 0.869 676 T HN 0.767 nan 8.240 nan 0.000 0.466 677 G N 0.486 109.185 108.800 -0.168 0.000 2.813 677 G HA2 -0.082 3.880 3.960 0.003 0.000 0.209 677 G HA3 -0.082 3.880 3.960 0.003 0.000 0.209 677 G C 1.492 176.306 174.900 -0.143 0.000 1.150 677 G CA 0.069 45.005 45.100 -0.273 0.000 0.785 677 G HN 0.400 nan 8.290 nan 0.000 0.535 678 N N 1.078 119.750 118.700 -0.046 0.000 2.142 678 N HA -0.058 4.684 4.740 0.003 0.000 0.186 678 N C 2.119 177.586 175.510 -0.071 0.000 1.023 678 N CA 0.965 54.033 53.050 0.030 0.000 0.852 678 N CB -0.317 38.158 38.487 -0.020 0.000 0.998 678 N HN 0.305 nan 8.380 nan 0.000 0.424 679 M N 0.105 119.576 119.600 -0.214 0.000 2.557 679 M HA 0.007 4.489 4.480 0.003 0.000 0.259 679 M C 1.547 177.691 176.300 -0.259 0.000 1.086 679 M CA 0.988 56.117 55.300 -0.285 0.000 1.096 679 M CB 0.024 32.425 32.600 -0.330 0.000 1.424 679 M HN 0.031 nan 8.290 nan 0.000 0.488 680 K N -0.262 119.903 120.400 -0.392 0.000 2.186 680 K HA 0.028 4.350 4.320 0.003 0.000 0.202 680 K C 1.513 177.810 176.600 -0.506 0.000 1.052 680 K CA 0.949 56.876 56.287 -0.601 0.000 0.965 680 K CB 0.119 31.996 32.500 -1.038 0.000 0.746 680 K HN 0.140 nan 8.250 nan 0.000 0.457 681 F N 0.989 120.809 119.950 -0.217 0.000 2.128 681 F HA -0.052 4.477 4.527 0.003 0.000 0.295 681 F C 2.423 178.144 175.800 -0.131 0.000 1.100 681 F CA 1.023 58.930 58.000 -0.156 0.000 1.260 681 F CB -0.381 38.533 39.000 -0.142 0.000 1.009 681 F HN -0.048 nan 8.300 nan 0.000 0.476 682 M N -0.121 119.490 119.600 0.018 0.000 2.065 682 M HA -0.243 4.239 4.480 0.003 0.000 0.259 682 M C 2.239 178.527 176.300 -0.020 0.000 1.071 682 M CA 1.740 57.028 55.300 -0.020 0.000 1.109 682 M CB -0.489 32.099 32.600 -0.020 0.000 1.313 682 M HN 0.233 nan 8.290 nan 0.000 0.408 683 L N 0.212 121.417 121.223 -0.029 0.000 2.450 683 L HA -0.155 4.186 4.340 0.003 0.000 0.224 683 L C 0.531 177.390 176.870 -0.018 0.000 1.149 683 L CA 1.047 55.883 54.840 -0.007 0.000 0.816 683 L CB -0.428 41.634 42.059 0.006 0.000 0.932 683 L HN 0.431 nan 8.230 nan 0.000 0.449 684 N N 0.237 118.919 118.700 -0.030 0.000 2.389 684 N HA 0.120 4.861 4.740 0.003 0.000 0.260 684 N C 0.624 176.141 175.510 0.011 0.000 1.191 684 N CA 0.741 53.781 53.050 -0.017 0.000 0.885 684 N CB 0.740 39.197 38.487 -0.049 0.000 1.162 684 N HN 0.311 nan 8.380 nan 0.000 0.512 685 G N 0.895 109.692 108.800 -0.004 0.000 2.314 685 G HA2 -0.210 3.751 3.960 0.003 0.000 0.292 685 G HA3 -0.210 3.751 3.960 0.003 0.000 0.292 685 G C 0.031 174.951 174.900 0.034 0.000 1.059 685 G CA 0.497 45.592 45.100 -0.008 0.000 0.982 685 G HN 0.537 nan 8.290 nan 0.000 0.505 686 A N -0.510 122.319 122.820 0.016 0.000 2.322 686 A HA 0.921 5.243 4.320 0.003 0.000 0.327 686 A C 0.073 177.564 177.584 -0.156 0.000 1.134 686 A CA -0.810 51.246 52.037 0.031 0.000 0.831 686 A CB 1.271 20.335 19.000 0.106 0.000 1.288 686 A HN 0.774 nan 8.150 nan 0.000 0.472 687 L N 0.986 122.090 121.223 -0.199 0.000 2.317 687 L HA 0.430 4.771 4.340 0.003 0.000 0.281 687 L C -0.118 176.641 176.870 -0.185 0.000 1.024 687 L CA -0.467 54.211 54.840 -0.269 0.000 0.810 687 L CB 1.953 43.881 42.059 -0.219 0.000 1.240 687 L HN 0.713 nan 8.230 nan 0.000 0.427 688 T N 4.062 118.427 114.554 -0.316 0.000 2.806 688 T HA 0.443 4.795 4.350 0.003 0.000 0.290 688 T C -0.195 174.487 174.700 -0.030 0.000 0.966 688 T CA -0.142 61.824 62.100 -0.224 0.000 1.060 688 T CB 1.448 70.160 68.868 -0.259 0.000 0.927 688 T HN 0.361 nan 8.240 nan 0.000 0.485 689 I N 2.063 122.659 120.570 0.044 0.000 2.525 689 I HA 0.775 4.947 4.170 0.003 0.000 0.301 689 I C 0.050 176.316 176.117 0.249 0.000 0.992 689 I CA -0.133 61.262 61.300 0.158 0.000 1.162 689 I CB 1.169 39.111 38.000 -0.096 0.000 1.332 689 I HN 0.780 nan 8.210 nan 0.000 0.458 690 G N 3.674 112.756 108.800 0.471 0.000 2.519 690 G HA2 0.399 4.361 3.960 0.003 0.000 0.292 690 G HA3 0.399 4.361 3.960 0.003 0.000 0.292 690 G C -0.916 174.193 174.900 0.349 0.000 1.507 690 G CA -0.269 45.077 45.100 0.410 0.000 0.806 690 G HN 0.702 nan 8.290 nan 0.000 0.523 691 T N -1.667 112.918 114.554 0.051 0.000 2.810 691 T HA 0.580 4.931 4.350 0.003 0.000 0.277 691 T C 0.562 175.214 174.700 -0.081 0.000 0.973 691 T CA -0.491 61.456 62.100 -0.256 0.000 0.949 691 T CB 1.262 69.938 68.868 -0.321 0.000 1.075 691 T HN 0.626 nan 8.240 nan 0.000 0.537 692 M N 2.534 122.073 119.600 -0.103 0.000 2.201 692 M HA 0.493 4.975 4.480 0.003 0.000 0.345 692 M C -1.079 175.193 176.300 -0.047 0.000 1.352 692 M CA -0.040 55.226 55.300 -0.057 0.000 1.218 692 M CB -1.276 31.289 32.600 -0.058 0.000 1.512 692 M HN 0.855 nan 8.290 nan 0.000 0.447 693 D N 2.316 122.699 120.400 -0.029 0.000 2.725 693 D HA 0.636 5.278 4.640 0.003 0.000 0.292 693 D C 0.450 176.749 176.300 -0.002 0.000 1.288 693 D CA 0.774 54.765 54.000 -0.014 0.000 0.784 693 D CB 0.661 41.457 40.800 -0.008 0.000 1.308 693 D HN 0.706 nan 8.370 nan 0.000 0.429 694 G N 0.551 109.357 108.800 0.008 0.000 2.685 694 G HA2 -0.192 3.770 3.960 0.003 0.000 0.329 694 G HA3 -0.192 3.770 3.960 0.003 0.000 0.329 694 G C 0.997 175.905 174.900 0.014 0.000 1.271 694 G CA 1.642 46.750 45.100 0.013 0.000 1.003 694 G HN 1.345 nan 8.290 nan 0.000 0.549 695 A N -0.074 122.751 122.820 0.008 0.000 2.275 695 A HA 0.325 4.647 4.320 0.003 0.000 0.212 695 A C 1.968 179.528 177.584 -0.040 0.000 1.201 695 A CA 1.330 53.370 52.037 0.005 0.000 0.843 695 A CB -0.219 18.770 19.000 -0.018 0.000 0.873 695 A HN 0.508 nan 8.150 nan 0.000 0.492 696 N N 0.588 119.266 118.700 -0.037 0.000 2.069 696 N HA -0.138 4.603 4.740 0.003 0.000 0.191 696 N C 1.719 177.103 175.510 -0.211 0.000 1.031 696 N CA 1.513 54.511 53.050 -0.086 0.000 0.852 696 N CB -0.497 37.984 38.487 -0.010 0.000 1.018 696 N HN 0.236 nan 8.380 nan 0.000 0.423 697 V N 1.718 121.563 119.914 -0.114 0.000 2.235 697 V HA -0.265 3.857 4.120 0.003 0.000 0.244 697 V C 1.787 177.833 176.094 -0.080 0.000 1.036 697 V CA 1.893 64.131 62.300 -0.102 0.000 1.001 697 V CB -0.684 31.113 31.823 -0.044 0.000 0.643 697 V HN 0.359 nan 8.190 nan 0.000 0.463 698 E N -0.861 119.351 120.200 0.021 0.000 2.448 698 E HA -0.232 4.120 4.350 0.003 0.000 0.203 698 E C 1.894 178.661 176.600 0.279 0.000 1.046 698 E CA 1.090 57.553 56.400 0.105 0.000 0.871 698 E CB -0.212 29.584 29.700 0.159 0.000 0.790 698 E HN 0.557 nan 8.360 nan 0.000 0.545 699 M N -0.346 119.344 119.600 0.150 0.000 2.171 699 M HA -0.017 4.465 4.480 0.003 0.000 0.260 699 M C 2.377 178.537 176.300 -0.234 0.000 1.087 699 M CA 1.234 56.590 55.300 0.094 0.000 1.154 699 M CB -0.058 32.457 32.600 -0.141 0.000 1.331 699 M HN 0.178 nan 8.290 nan 0.000 0.431 700 A N 0.547 122.936 122.820 -0.719 0.000 1.865 700 A HA -0.276 4.045 4.320 0.003 0.000 0.217 700 A C 1.927 179.347 177.584 -0.273 0.000 1.191 700 A CA 2.296 53.836 52.037 -0.828 0.000 0.623 700 A CB -1.175 17.412 19.000 -0.689 0.000 0.826 700 A HN 0.634 nan 8.150 nan 0.000 0.444 701 E N -0.595 119.501 120.200 -0.174 0.000 2.136 701 E HA -0.303 4.049 4.350 0.003 0.000 0.202 701 E C 1.679 178.260 176.600 -0.033 0.000 1.019 701 E CA 1.789 58.142 56.400 -0.078 0.000 0.819 701 E CB -0.185 29.480 29.700 -0.059 0.000 0.739 701 E HN 0.529 nan 8.360 nan 0.000 0.458 702 E N -0.010 120.197 120.200 0.011 0.000 2.107 702 E HA -0.054 4.298 4.350 0.003 0.000 0.191 702 E C 1.836 178.471 176.600 0.058 0.000 0.982 702 E CA 1.145 57.567 56.400 0.038 0.000 0.809 702 E CB -0.217 29.540 29.700 0.094 0.000 0.756 702 E HN 0.455 nan 8.360 nan 0.000 0.459 703 A N 0.256 123.129 122.820 0.088 0.000 2.072 703 A HA 0.351 4.673 4.320 0.003 0.000 0.216 703 A C 1.054 178.685 177.584 0.079 0.000 1.156 703 A CA 1.012 53.127 52.037 0.132 0.000 0.701 703 A CB -0.119 19.066 19.000 0.309 0.000 0.816 703 A HN 0.217 nan 8.150 nan 0.000 0.458 704 G N -0.434 108.388 108.800 0.036 0.000 3.190 704 G HA2 -0.123 3.839 3.960 0.003 0.000 0.686 704 G HA3 -0.123 3.839 3.960 0.003 0.000 0.686 704 G C 0.182 175.093 174.900 0.018 0.000 1.033 704 G CA 0.104 45.211 45.100 0.011 0.000 0.797 704 G HN 0.135 nan 8.290 nan 0.000 0.567 705 E N 1.262 121.454 120.200 -0.013 0.000 2.086 705 E HA -0.221 4.130 4.350 0.003 0.000 0.200 705 E C 2.284 178.895 176.600 0.018 0.000 1.012 705 E CA 2.168 58.563 56.400 -0.008 0.000 0.812 705 E CB 0.082 29.767 29.700 -0.025 0.000 0.743 705 E HN 0.789 nan 8.360 nan 0.000 0.453 706 E N 0.471 120.662 120.200 -0.015 0.000 2.401 706 E HA -0.104 4.247 4.350 0.003 0.000 0.199 706 E C 1.292 177.822 176.600 -0.116 0.000 1.023 706 E CA 0.552 56.917 56.400 -0.059 0.000 0.859 706 E CB -0.362 29.309 29.700 -0.049 0.000 0.780 706 E HN 0.258 nan 8.360 nan 0.000 0.523 707 N N -0.476 118.187 118.700 -0.062 0.000 2.412 707 N HA 0.035 4.777 4.740 0.003 0.000 0.184 707 N C -0.630 174.733 175.510 -0.245 0.000 1.101 707 N CA 0.257 53.228 53.050 -0.132 0.000 0.881 707 N CB 0.240 38.706 38.487 -0.035 0.000 0.969 707 N HN 0.120 nan 8.380 nan 0.000 0.459 708 F N -0.254 119.503 119.950 -0.322 0.000 2.495 708 F HA 0.319 4.847 4.527 0.002 0.000 0.327 708 F C -0.088 175.515 175.800 -0.328 0.000 1.103 708 F CA -0.944 56.891 58.000 -0.275 0.000 0.949 708 F CB 1.049 39.983 39.000 -0.111 0.000 1.142 708 F HN -0.201 nan 8.300 nan 0.000 0.457 709 F N 5.176 125.171 119.950 0.075 0.000 2.833 709 F HA 0.227 4.755 4.527 0.002 0.000 0.327 709 F C 0.177 176.112 175.800 0.224 0.000 1.184 709 F CA -0.368 57.686 58.000 0.090 0.000 1.328 709 F CB -0.759 38.228 39.000 -0.021 0.000 1.440 709 F HN 0.059 nan 8.300 nan 0.000 0.569 710 I N 2.125 122.901 120.570 0.343 0.000 2.648 710 I HA 0.015 4.187 4.170 0.003 0.000 0.284 710 I C 0.193 176.521 176.117 0.350 0.000 1.153 710 I CA 0.115 61.608 61.300 0.321 0.000 1.426 710 I CB -0.516 37.586 38.000 0.170 0.000 1.381 710 I HN 0.228 nan 8.210 nan 0.000 0.571 711 F N 3.387 123.408 119.950 0.118 0.000 2.869 711 F HA 0.853 5.381 4.527 0.002 0.000 0.325 711 F C 0.135 175.986 175.800 0.085 0.000 1.184 711 F CA -0.502 57.559 58.000 0.102 0.000 0.951 711 F CB 0.824 39.897 39.000 0.122 0.000 1.421 711 F HN 0.784 nan 8.300 nan 0.000 0.501 712 G N 0.992 109.527 108.800 -0.441 0.000 2.860 712 G HA2 -0.136 3.825 3.960 0.003 0.000 0.553 712 G HA3 -0.136 3.825 3.960 0.003 0.000 0.553 712 G C -0.587 174.186 174.900 -0.212 0.000 1.439 712 G CA -0.456 44.371 45.100 -0.455 0.000 0.879 712 G HN 0.986 nan 8.290 nan 0.000 0.545 713 M N 0.174 119.699 119.600 -0.125 0.000 2.234 713 M HA 0.163 4.645 4.480 0.003 0.000 0.326 713 M C 1.287 177.538 176.300 -0.081 0.000 1.077 713 M CA 0.910 56.176 55.300 -0.057 0.000 1.052 713 M CB 0.268 32.849 32.600 -0.031 0.000 1.607 713 M HN 0.651 nan 8.290 nan 0.000 0.445 714 R N 0.365 120.838 120.500 -0.046 0.000 2.719 714 R HA 0.379 4.720 4.340 0.003 0.000 0.233 714 R C 1.090 177.370 176.300 -0.033 0.000 1.257 714 R CA -0.627 55.444 56.100 -0.048 0.000 1.109 714 R CB 0.783 31.062 30.300 -0.034 0.000 1.447 714 R HN 0.572 nan 8.270 nan 0.000 0.537 715 V N 0.787 120.684 119.914 -0.029 0.000 2.252 715 V HA -0.266 3.856 4.120 0.003 0.000 0.249 715 V C 2.199 178.285 176.094 -0.014 0.000 1.056 715 V CA 1.963 64.250 62.300 -0.022 0.000 1.022 715 V CB -0.594 31.217 31.823 -0.020 0.000 0.641 715 V HN 0.742 nan 8.190 nan 0.000 0.445 716 E N 0.842 121.036 120.200 -0.011 0.000 2.130 716 E HA -0.276 4.076 4.350 0.003 0.000 0.196 716 E C 1.777 178.380 176.600 0.006 0.000 0.998 716 E CA 2.049 58.447 56.400 -0.003 0.000 0.806 716 E CB -0.275 29.424 29.700 -0.002 0.000 0.738 716 E HN 0.759 nan 8.360 nan 0.000 0.459 717 D N -0.507 119.897 120.400 0.007 0.000 2.194 717 D HA -0.087 4.555 4.640 0.003 0.000 0.204 717 D C 2.108 178.422 176.300 0.024 0.000 0.964 717 D CA 0.743 54.756 54.000 0.023 0.000 0.846 717 D CB -0.172 40.643 40.800 0.025 0.000 0.962 717 D HN 0.077 nan 8.370 nan 0.000 0.490 718 V N 1.469 121.385 119.914 0.002 0.000 2.237 718 V HA -0.237 3.884 4.120 0.003 0.000 0.245 718 V C 1.966 178.059 176.094 -0.002 0.000 1.046 718 V CA 1.848 64.141 62.300 -0.011 0.000 1.007 718 V CB -0.526 31.282 31.823 -0.025 0.000 0.638 718 V HN 0.143 nan 8.190 nan 0.000 0.445 719 D N -0.065 120.334 120.400 -0.002 0.000 2.133 719 D HA -0.184 4.457 4.640 0.003 0.000 0.195 719 D C 2.409 178.719 176.300 0.016 0.000 0.997 719 D CA 1.268 55.268 54.000 0.001 0.000 0.840 719 D CB -0.181 40.617 40.800 -0.002 0.000 0.947 719 D HN 0.300 nan 8.370 nan 0.000 0.452 720 R N 0.421 120.937 120.500 0.026 0.000 2.075 720 R HA -0.084 4.258 4.340 0.003 0.000 0.232 720 R C 2.346 178.682 176.300 0.059 0.000 1.126 720 R CA 0.228 56.352 56.100 0.039 0.000 0.963 720 R CB -1.143 29.185 30.300 0.045 0.000 0.858 720 R HN 0.228 nan 8.270 nan 0.000 0.435 721 L N 1.792 123.059 121.223 0.074 0.000 2.083 721 L HA -0.134 4.207 4.340 0.003 0.000 0.209 721 L C 1.569 178.503 176.870 0.107 0.000 1.083 721 L CA 1.823 56.736 54.840 0.120 0.000 0.752 721 L CB -0.542 41.602 42.059 0.142 0.000 0.899 721 L HN 0.050 nan 8.230 nan 0.000 0.433 722 D N -1.061 119.372 120.400 0.055 0.000 2.084 722 D HA -0.239 4.403 4.640 0.003 0.000 0.196 722 D C 1.989 178.314 176.300 0.042 0.000 0.985 722 D CA 1.344 55.367 54.000 0.037 0.000 0.826 722 D CB -0.005 40.796 40.800 0.001 0.000 0.978 722 D HN 0.501 nan 8.370 nan 0.000 0.456 723 Q N 0.613 120.435 119.800 0.035 0.000 2.045 723 Q HA -0.232 4.110 4.340 0.003 0.000 0.206 723 Q C 1.873 177.898 176.000 0.042 0.000 0.991 723 Q CA 2.007 57.829 55.803 0.032 0.000 0.851 723 Q CB 0.044 28.798 28.738 0.027 0.000 0.911 723 Q HN 0.139 nan 8.270 nan 0.000 0.418 724 R N -0.682 119.853 120.500 0.057 0.000 2.317 724 R HA 0.261 4.603 4.340 0.003 0.000 0.208 724 R C 0.082 176.427 176.300 0.075 0.000 0.914 724 R CA 0.729 56.864 56.100 0.059 0.000 1.060 724 R CB 0.024 30.360 30.300 0.060 0.000 1.015 724 R HN 0.216 nan 8.270 nan 0.000 0.498 725 G N 0.800 109.655 108.800 0.092 0.000 3.396 725 G HA2 -0.302 3.660 3.960 0.003 0.000 0.682 725 G HA3 -0.302 3.660 3.960 0.003 0.000 0.682 725 G C -1.080 173.929 174.900 0.182 0.000 0.924 725 G CA -0.191 44.980 45.100 0.117 0.000 0.770 725 G HN 0.394 nan 8.290 nan 0.000 0.484 726 Y N 2.878 123.223 120.300 0.075 0.000 2.537 726 Y HA 0.376 4.927 4.550 0.002 0.000 0.339 726 Y C 0.838 176.818 175.900 0.133 0.000 1.066 726 Y CA 0.068 58.239 58.100 0.118 0.000 1.357 726 Y CB 0.625 39.132 38.460 0.079 0.000 1.175 726 Y HN 0.585 nan 8.280 nan 0.000 0.525 727 N N 5.142 123.770 118.700 -0.121 0.000 3.044 727 N HA 0.344 5.086 4.740 0.003 0.000 0.254 727 N C 0.825 176.197 175.510 -0.231 0.000 1.253 727 N CA 0.309 53.284 53.050 -0.126 0.000 0.944 727 N CB 0.395 38.878 38.487 -0.007 0.000 1.217 727 N HN 0.887 nan 8.380 nan 0.000 0.498 728 A N 1.622 124.135 122.820 -0.513 0.000 2.131 728 A HA -0.304 4.017 4.320 0.003 0.000 0.224 728 A C 2.039 179.750 177.584 0.211 0.000 1.172 728 A CA 1.658 53.545 52.037 -0.249 0.000 0.672 728 A CB -0.408 18.436 19.000 -0.260 0.000 0.815 728 A HN 0.726 nan 8.150 nan 0.000 0.477 729 Q N 0.061 119.955 119.800 0.156 0.000 2.167 729 Q HA -0.171 4.171 4.340 0.003 0.000 0.202 729 Q C 1.941 178.086 176.000 0.242 0.000 0.970 729 Q CA 1.833 57.783 55.803 0.245 0.000 0.855 729 Q CB -0.266 28.576 28.738 0.175 0.000 0.911 729 Q HN 0.897 nan 8.270 nan 0.000 0.438 730 E N -1.425 118.859 120.200 0.139 0.000 2.051 730 E HA -0.254 4.098 4.350 0.003 0.000 0.192 730 E C 1.574 178.181 176.600 0.011 0.000 0.991 730 E CA 1.383 57.800 56.400 0.027 0.000 0.799 730 E CB -0.756 28.885 29.700 -0.098 0.000 0.748 730 E HN 0.458 nan 8.360 nan 0.000 0.449 731 Y N 0.134 120.479 120.300 0.074 0.000 2.097 731 Y HA -0.267 4.285 4.550 0.002 0.000 0.282 731 Y C 2.505 178.401 175.900 -0.007 0.000 1.152 731 Y CA 1.743 59.882 58.100 0.064 0.000 1.136 731 Y CB -0.815 37.730 38.460 0.141 0.000 0.975 731 Y HN 0.161 nan 8.280 nan 0.000 0.498 732 Y N 0.843 121.215 120.300 0.120 0.000 2.315 732 Y HA -0.257 4.295 4.550 0.003 0.000 0.288 732 Y C 1.768 177.658 175.900 -0.016 0.000 1.154 732 Y CA 1.687 59.768 58.100 -0.031 0.000 1.229 732 Y CB -0.312 38.232 38.460 0.139 0.000 0.980 732 Y HN 0.157 nan 8.280 nan 0.000 0.540 733 D N -0.984 119.426 120.400 0.018 0.000 2.354 733 D HA 0.016 4.657 4.640 0.003 0.000 0.209 733 D C 1.807 178.048 176.300 -0.097 0.000 1.015 733 D CA 0.306 54.256 54.000 -0.083 0.000 0.867 733 D CB 0.293 41.110 40.800 0.029 0.000 0.933 733 D HN 0.489 nan 8.370 nan 0.000 0.520 734 R N 0.368 120.826 120.500 -0.071 0.000 2.052 734 R HA 0.171 4.513 4.340 0.003 0.000 0.224 734 R C 1.150 177.408 176.300 -0.071 0.000 1.149 734 R CA 0.505 56.568 56.100 -0.061 0.000 0.962 734 R CB -0.004 30.272 30.300 -0.039 0.000 0.856 734 R HN 0.040 nan 8.270 nan 0.000 0.433 735 I N 3.799 124.328 120.570 -0.069 0.000 2.389 735 I HA 0.055 4.226 4.170 0.003 0.000 0.295 735 I C -1.748 174.304 176.117 -0.108 0.000 1.117 735 I CA -1.665 59.610 61.300 -0.041 0.000 1.317 735 I CB 0.833 38.849 38.000 0.026 0.000 1.431 735 I HN -0.041 nan 8.210 nan 0.000 0.521 736 P HA -0.103 nan 4.420 nan 0.000 0.221 736 P C 1.026 178.277 177.300 -0.082 0.000 1.150 736 P CA 1.124 64.163 63.100 -0.102 0.000 0.800 736 P CB 0.371 32.033 31.700 -0.064 0.000 0.787 737 E N -0.268 119.922 120.200 -0.018 0.000 2.017 737 E HA -0.149 4.202 4.350 0.003 0.000 0.193 737 E C 1.932 178.498 176.600 -0.058 0.000 0.997 737 E CA 0.777 57.188 56.400 0.018 0.000 0.804 737 E CB -1.290 28.498 29.700 0.146 0.000 0.757 737 E HN 0.042 nan 8.360 nan 0.000 0.448 738 L N 1.266 122.369 121.223 -0.200 0.000 1.991 738 L HA -0.312 4.030 4.340 0.003 0.000 0.221 738 L C 2.318 179.040 176.870 -0.247 0.000 1.079 738 L CA 1.961 56.526 54.840 -0.457 0.000 0.778 738 L CB -0.280 41.309 42.059 -0.783 0.000 0.893 738 L HN 0.036 nan 8.230 nan 0.000 0.437 739 R N -1.025 119.292 120.500 -0.305 0.000 2.134 739 R HA -0.287 4.055 4.340 0.003 0.000 0.248 739 R C 2.366 178.640 176.300 -0.044 0.000 1.143 739 R CA 2.354 58.236 56.100 -0.363 0.000 0.957 739 R CB -0.489 29.501 30.300 -0.516 0.000 0.867 739 R HN 0.672 nan 8.270 nan 0.000 0.441 740 Q N 0.990 120.761 119.800 -0.050 0.000 2.050 740 Q HA -0.171 4.171 4.340 0.003 0.000 0.202 740 Q C 2.167 178.210 176.000 0.071 0.000 0.980 740 Q CA 2.054 57.861 55.803 0.006 0.000 0.840 740 Q CB -0.225 28.503 28.738 -0.017 0.000 0.898 740 Q HN 0.586 nan 8.270 nan 0.000 0.424 741 I N -1.384 119.236 120.570 0.082 0.000 2.394 741 I HA -0.197 3.975 4.170 0.003 0.000 0.251 741 I C 1.974 178.197 176.117 0.177 0.000 1.136 741 I CA 0.666 62.060 61.300 0.156 0.000 1.425 741 I CB -0.578 37.503 38.000 0.135 0.000 1.079 741 I HN 0.111 nan 8.210 nan 0.000 0.425 742 I N 1.706 122.377 120.570 0.169 0.000 2.226 742 I HA -0.183 3.989 4.170 0.003 0.000 0.245 742 I C 2.537 178.769 176.117 0.192 0.000 1.100 742 I CA 1.501 62.927 61.300 0.210 0.000 1.374 742 I CB -1.293 36.895 38.000 0.313 0.000 1.057 742 I HN 0.346 nan 8.210 nan 0.000 0.413 743 E N 0.456 120.768 120.200 0.187 0.000 2.358 743 E HA -0.110 4.242 4.350 0.003 0.000 0.195 743 E C 2.116 178.799 176.600 0.139 0.000 1.010 743 E CA 0.410 56.900 56.400 0.150 0.000 0.856 743 E CB 0.008 29.784 29.700 0.125 0.000 0.795 743 E HN 0.600 nan 8.360 nan 0.000 0.504 744 Q N 0.111 120.010 119.800 0.165 0.000 2.096 744 Q HA 0.010 4.351 4.340 0.003 0.000 0.197 744 Q C 2.404 178.582 176.000 0.298 0.000 0.964 744 Q CA 0.653 56.578 55.803 0.204 0.000 0.838 744 Q CB 0.022 28.920 28.738 0.266 0.000 0.906 744 Q HN 0.245 nan 8.270 nan 0.000 0.444 745 L N 0.297 121.713 121.223 0.322 0.000 1.971 745 L HA -0.243 4.099 4.340 0.003 0.000 0.215 745 L C 2.487 179.529 176.870 0.287 0.000 1.072 745 L CA 1.331 56.356 54.840 0.309 0.000 0.758 745 L CB -0.807 41.362 42.059 0.184 0.000 0.889 745 L HN 0.166 nan 8.230 nan 0.000 0.433 746 S N 0.338 116.164 115.700 0.209 0.000 2.353 746 S HA -0.175 4.297 4.470 0.003 0.000 0.222 746 S C 1.961 176.650 174.600 0.149 0.000 1.035 746 S CA 1.717 60.015 58.200 0.163 0.000 1.025 746 S CB -0.529 62.743 63.200 0.121 0.000 0.902 746 S HN 0.594 nan 8.310 nan 0.000 0.440 747 S N 0.884 116.667 115.700 0.137 0.000 2.595 747 S HA 0.297 4.769 4.470 0.003 0.000 0.235 747 S C 1.418 176.100 174.600 0.137 0.000 0.974 747 S CA 0.482 58.752 58.200 0.116 0.000 0.942 747 S CB -0.668 62.587 63.200 0.092 0.000 0.766 747 S HN 0.927 nan 8.310 nan 0.000 0.536 748 G N 1.048 109.957 108.800 0.182 0.000 2.198 748 G HA2 -0.344 3.617 3.960 0.003 0.000 0.260 748 G HA3 -0.344 3.617 3.960 0.003 0.000 0.260 748 G C 0.184 175.172 174.900 0.147 0.000 1.025 748 G CA 0.226 45.439 45.100 0.187 0.000 0.769 748 G HN 0.531 nan 8.290 nan 0.000 0.507 749 F N 0.385 120.309 119.950 -0.043 0.000 2.120 749 F HA 0.016 4.544 4.527 0.003 0.000 0.300 749 F C 1.952 177.565 175.800 -0.311 0.000 1.095 749 F CA 1.934 59.794 58.000 -0.235 0.000 1.249 749 F CB -0.327 38.426 39.000 -0.412 0.000 0.995 749 F HN 0.199 nan 8.300 nan 0.000 0.480 750 F N -0.036 119.855 119.950 -0.099 0.000 2.789 750 F HA 0.127 4.656 4.527 0.003 0.000 0.300 750 F C 1.257 177.046 175.800 -0.019 0.000 1.132 750 F CA 0.671 58.554 58.000 -0.196 0.000 1.404 750 F CB -0.519 38.376 39.000 -0.175 0.000 1.114 750 F HN 0.055 nan 8.300 nan 0.000 0.584 751 S N -1.215 114.604 115.700 0.200 0.000 2.472 751 S HA 0.242 4.714 4.470 0.003 0.000 0.191 751 S C -1.894 172.754 174.600 0.079 0.000 1.244 751 S CA -0.979 57.316 58.200 0.159 0.000 1.227 751 S CB 0.430 63.758 63.200 0.213 0.000 1.381 751 S HN -0.100 nan 8.310 nan 0.000 0.394 752 P HA -0.215 nan 4.420 nan 0.000 0.217 752 P C 1.094 178.416 177.300 0.038 0.000 1.158 752 P CA 1.501 64.624 63.100 0.038 0.000 0.887 752 P CB 0.160 31.873 31.700 0.023 0.000 0.792 753 K N -0.517 119.902 120.400 0.032 0.000 2.097 753 K HA -0.078 4.244 4.320 0.003 0.000 0.206 753 K C 1.101 177.717 176.600 0.026 0.000 1.049 753 K CA 1.236 57.540 56.287 0.028 0.000 0.933 753 K CB -0.411 32.105 32.500 0.028 0.000 0.717 753 K HN 0.317 nan 8.250 nan 0.000 0.442 754 Q N -0.750 119.064 119.800 0.024 0.000 2.674 754 Q HA 0.219 4.561 4.340 0.003 0.000 0.249 754 Q C -2.252 173.759 176.000 0.017 0.000 1.011 754 Q CA -1.652 54.158 55.803 0.011 0.000 0.734 754 Q CB 1.779 30.513 28.738 -0.006 0.000 1.201 754 Q HN -0.088 nan 8.270 nan 0.000 0.498 755 P HA -0.266 nan 4.420 nan 0.000 0.212 755 P C 0.272 177.615 177.300 0.071 0.000 1.174 755 P CA 1.678 64.819 63.100 0.068 0.000 0.934 755 P CB 0.201 31.937 31.700 0.060 0.000 0.791 756 D N -1.285 119.142 120.400 0.045 0.000 2.403 756 D HA -0.130 4.511 4.640 0.003 0.000 0.227 756 D C 1.651 177.952 176.300 0.002 0.000 0.995 756 D CA 0.283 54.307 54.000 0.040 0.000 0.928 756 D CB -1.079 39.741 40.800 0.033 0.000 0.887 756 D HN 0.052 nan 8.370 nan 0.000 0.529 757 L N -0.287 120.890 121.223 -0.078 0.000 2.013 757 L HA -0.097 4.244 4.340 0.003 0.000 0.212 757 L C 1.158 177.785 176.870 -0.405 0.000 1.073 757 L CA 1.570 56.248 54.840 -0.269 0.000 0.753 757 L CB -0.594 41.204 42.059 -0.436 0.000 0.890 757 L HN -0.012 nan 8.230 nan 0.000 0.432 758 F N -0.456 119.536 119.950 0.070 0.000 2.696 758 F HA 0.112 4.641 4.527 0.003 0.000 0.296 758 F C 1.815 177.653 175.800 0.063 0.000 1.181 758 F CA -0.193 57.840 58.000 0.054 0.000 1.411 758 F CB -0.708 38.314 39.000 0.036 0.000 1.014 758 F HN -0.048 nan 8.300 nan 0.000 0.512 759 K N 0.887 121.370 120.400 0.138 0.000 2.103 759 K HA -0.204 4.117 4.320 0.003 0.000 0.207 759 K C 1.442 178.110 176.600 0.115 0.000 1.048 759 K CA 1.888 58.245 56.287 0.118 0.000 0.930 759 K CB -0.564 31.988 32.500 0.088 0.000 0.716 759 K HN 0.458 nan 8.250 nan 0.000 0.444 760 D N -0.208 120.279 120.400 0.146 0.000 2.224 760 D HA -0.082 4.560 4.640 0.003 0.000 0.205 760 D C 1.803 178.179 176.300 0.127 0.000 0.965 760 D CA 0.617 54.711 54.000 0.156 0.000 0.852 760 D CB -0.303 40.644 40.800 0.244 0.000 0.947 760 D HN 0.202 nan 8.370 nan 0.000 0.494 761 I N 0.386 121.045 120.570 0.148 0.000 2.617 761 I HA -0.126 4.045 4.170 0.003 0.000 0.256 761 I C 1.992 178.125 176.117 0.027 0.000 1.167 761 I CA 0.241 61.599 61.300 0.096 0.000 1.469 761 I CB -0.128 37.947 38.000 0.126 0.000 1.098 761 I HN -0.016 nan 8.210 nan 0.000 0.436 762 V N 1.893 121.835 119.914 0.048 0.000 2.216 762 V HA -0.310 3.812 4.120 0.003 0.000 0.243 762 V C 2.077 178.090 176.094 -0.136 0.000 1.044 762 V CA 2.520 64.809 62.300 -0.018 0.000 0.995 762 V CB -0.997 30.839 31.823 0.022 0.000 0.633 762 V HN 0.415 nan 8.190 nan 0.000 0.446 763 N N -0.313 118.321 118.700 -0.110 0.000 2.192 763 N HA -0.210 4.532 4.740 0.003 0.000 0.188 763 N C 1.717 177.012 175.510 -0.358 0.000 1.013 763 N CA 1.427 54.372 53.050 -0.175 0.000 0.863 763 N CB -0.367 38.123 38.487 0.004 0.000 0.990 763 N HN 0.325 nan 8.380 nan 0.000 0.430 764 M N 0.233 119.629 119.600 -0.339 0.000 2.073 764 M HA -0.151 4.331 4.480 0.003 0.000 0.258 764 M C 1.396 177.444 176.300 -0.421 0.000 1.070 764 M CA 1.529 56.532 55.300 -0.495 0.000 1.103 764 M CB -0.555 31.963 32.600 -0.137 0.000 1.321 764 M HN 0.120 nan 8.290 nan 0.000 0.405 765 L N 0.631 121.650 121.223 -0.341 0.000 1.932 765 L HA -0.241 4.101 4.340 0.003 0.000 0.217 765 L C 2.571 179.066 176.870 -0.624 0.000 1.077 765 L CA 1.888 56.427 54.840 -0.500 0.000 0.765 765 L CB -1.505 40.302 42.059 -0.420 0.000 0.888 765 L HN 0.350 nan 8.230 nan 0.000 0.433 766 M N -1.140 118.103 119.600 -0.594 0.000 2.255 766 M HA -0.223 4.258 4.480 0.003 0.000 0.259 766 M C 1.198 177.137 176.300 -0.600 0.000 1.071 766 M CA 1.711 56.606 55.300 -0.675 0.000 1.074 766 M CB -0.868 31.178 32.600 -0.923 0.000 1.384 766 M HN 0.417 nan 8.290 nan 0.000 0.415 767 H N -2.433 116.520 119.070 -0.194 0.000 3.650 767 H HA 0.207 4.764 4.556 0.003 0.000 0.260 767 H C -0.176 175.179 175.328 0.044 0.000 1.194 767 H CA 0.212 56.223 56.048 -0.061 0.000 1.135 767 H CB -0.070 29.695 29.762 0.006 0.000 1.612 767 H HN 0.627 nan 8.280 nan 0.000 0.703 768 H N -2.352 116.764 119.070 0.077 0.000 3.757 768 H HA 0.150 4.708 4.556 0.003 0.000 0.214 768 H C -0.955 174.393 175.328 0.034 0.000 1.275 768 H CA -0.568 55.518 56.048 0.063 0.000 1.205 768 H CB -0.517 29.280 29.762 0.058 0.000 2.906 768 H HN -0.126 nan 8.280 nan 0.000 0.550 769 D N 1.920 122.361 120.400 0.068 0.000 2.346 769 D HA -0.020 4.622 4.640 0.003 0.000 0.267 769 D C 1.389 177.661 176.300 -0.047 0.000 1.320 769 D CA 0.009 54.026 54.000 0.027 0.000 0.951 769 D CB 0.699 41.506 40.800 0.012 0.000 1.079 769 D HN 0.638 nan 8.370 nan 0.000 0.509 770 R N 2.781 123.200 120.500 -0.135 0.000 2.237 770 R HA -0.098 4.243 4.340 0.003 0.000 0.219 770 R C 0.598 176.477 176.300 -0.703 0.000 1.080 770 R CA 1.126 56.934 56.100 -0.488 0.000 0.995 770 R CB 0.011 29.867 30.300 -0.739 0.000 0.875 770 R HN 0.355 nan 8.270 nan 0.000 0.462 771 F N 0.097 119.998 119.950 -0.082 0.000 2.688 771 F HA 0.355 4.884 4.527 0.003 0.000 0.310 771 F C -0.239 175.444 175.800 -0.196 0.000 1.098 771 F CA -0.550 57.385 58.000 -0.109 0.000 1.228 771 F CB 0.612 39.603 39.000 -0.014 0.000 1.042 771 F HN -0.203 nan 8.300 nan 0.000 0.557 772 K N -0.163 120.087 120.400 -0.251 0.000 3.585 772 K HA -0.138 4.183 4.320 0.003 0.000 0.275 772 K C 0.604 177.153 176.600 -0.085 0.000 1.026 772 K CA 0.084 56.108 56.287 -0.438 0.000 0.800 772 K CB -1.667 30.499 32.500 -0.556 0.000 1.401 772 K HN 0.176 nan 8.250 nan 0.000 0.453 773 V N 0.452 120.387 119.914 0.036 0.000 2.261 773 V HA -0.177 3.945 4.120 0.003 0.000 0.235 773 V C 1.902 178.162 176.094 0.278 0.000 1.044 773 V CA 1.716 64.103 62.300 0.144 0.000 1.007 773 V CB -0.434 31.471 31.823 0.138 0.000 0.647 773 V HN 0.478 nan 8.190 nan 0.000 0.462 774 F N 1.195 121.182 119.950 0.062 0.000 2.101 774 F HA -0.358 4.171 4.527 0.003 0.000 0.298 774 F C 2.484 178.193 175.800 -0.152 0.000 1.076 774 F CA 1.660 59.666 58.000 0.009 0.000 1.248 774 F CB -1.742 37.261 39.000 0.005 0.000 0.999 774 F HN 0.197 nan 8.300 nan 0.000 0.488 775 A N -0.351 122.377 122.820 -0.153 0.000 1.865 775 A HA -0.198 4.124 4.320 0.003 0.000 0.217 775 A C 1.701 179.321 177.584 0.060 0.000 1.191 775 A CA 1.965 53.787 52.037 -0.359 0.000 0.623 775 A CB -0.849 18.074 19.000 -0.128 0.000 0.826 775 A HN 0.260 nan 8.150 nan 0.000 0.444 776 D N -1.914 118.555 120.400 0.115 0.000 2.344 776 D HA 0.096 4.737 4.640 0.003 0.000 0.242 776 D C 0.879 177.375 176.300 0.327 0.000 1.159 776 D CA 0.066 54.188 54.000 0.204 0.000 0.859 776 D CB -0.203 40.680 40.800 0.138 0.000 0.925 776 D HN 0.603 nan 8.370 nan 0.000 0.510 777 Y N 1.523 121.937 120.300 0.191 0.000 2.109 777 Y HA -0.177 4.375 4.550 0.004 0.000 0.281 777 Y C 2.269 178.296 175.900 0.211 0.000 1.113 777 Y CA 1.616 59.837 58.100 0.202 0.000 1.098 777 Y CB -0.059 38.475 38.460 0.123 0.000 0.996 777 Y HN -0.158 nan 8.280 nan 0.000 0.485 778 E N 1.026 121.294 120.200 0.113 0.000 2.035 778 E HA -0.314 4.038 4.350 0.003 0.000 0.204 778 E C 2.148 178.743 176.600 -0.007 0.000 1.025 778 E CA 2.216 58.627 56.400 0.018 0.000 0.835 778 E CB -0.621 29.208 29.700 0.215 0.000 0.764 778 E HN 0.627 nan 8.360 nan 0.000 0.457 779 E N -1.660 118.618 120.200 0.131 0.000 2.265 779 E HA -0.205 4.147 4.350 0.003 0.000 0.196 779 E C 1.899 178.613 176.600 0.190 0.000 0.996 779 E CA 0.949 57.451 56.400 0.170 0.000 0.832 779 E CB -0.372 29.474 29.700 0.245 0.000 0.756 779 E HN 0.445 nan 8.360 nan 0.000 0.491 780 Y N 0.328 120.632 120.300 0.006 0.000 2.184 780 Y HA -0.149 4.403 4.550 0.003 0.000 0.290 780 Y C 2.008 177.622 175.900 -0.476 0.000 1.129 780 Y CA 1.605 59.533 58.100 -0.286 0.000 1.144 780 Y CB -0.587 37.726 38.460 -0.244 0.000 0.995 780 Y HN 0.054 nan 8.280 nan 0.000 0.513 781 V N -0.901 118.693 119.914 -0.533 0.000 2.358 781 V HA -0.191 3.930 4.120 0.003 0.000 0.246 781 V C 2.174 178.010 176.094 -0.431 0.000 1.047 781 V CA 1.978 63.896 62.300 -0.636 0.000 1.035 781 V CB -0.799 30.783 31.823 -0.400 0.000 0.658 781 V HN 0.174 nan 8.190 nan 0.000 0.452 782 K N 0.170 120.416 120.400 -0.256 0.000 2.063 782 K HA -0.138 4.184 4.320 0.003 0.000 0.208 782 K C 2.322 178.820 176.600 -0.170 0.000 1.048 782 K CA 1.750 57.947 56.287 -0.150 0.000 0.928 782 K CB -1.341 31.126 32.500 -0.055 0.000 0.713 782 K HN 0.640 nan 8.250 nan 0.000 0.442 783 C N 1.767 120.942 119.300 -0.208 0.000 2.432 783 C HA -0.051 4.411 4.460 0.003 0.000 0.280 783 C C 2.655 177.420 174.990 -0.377 0.000 1.353 783 C CA 0.560 59.472 59.018 -0.177 0.000 1.766 783 C CB -0.544 27.124 27.740 -0.120 0.000 1.924 783 C HN 0.394 nan 8.230 nan 0.000 0.509 784 Q N 0.642 120.073 119.800 -0.616 0.000 2.050 784 Q HA -0.168 4.174 4.340 0.003 0.000 0.202 784 Q C 2.002 177.787 176.000 -0.359 0.000 0.980 784 Q CA 1.672 57.092 55.803 -0.638 0.000 0.840 784 Q CB -0.523 27.623 28.738 -0.987 0.000 0.898 784 Q HN 0.739 nan 8.270 nan 0.000 0.424 785 E N 0.355 120.403 120.200 -0.253 0.000 2.097 785 E HA -0.198 4.154 4.350 0.003 0.000 0.196 785 E C 2.132 178.684 176.600 -0.081 0.000 1.000 785 E CA 0.997 57.322 56.400 -0.126 0.000 0.804 785 E CB -0.065 29.582 29.700 -0.089 0.000 0.740 785 E HN 0.251 nan 8.360 nan 0.000 0.454 786 R N 0.236 120.696 120.500 -0.067 0.000 2.092 786 R HA -0.096 4.246 4.340 0.003 0.000 0.231 786 R C 2.438 178.737 176.300 -0.002 0.000 1.119 786 R CA 0.962 57.093 56.100 0.051 0.000 0.970 786 R CB -0.317 30.090 30.300 0.178 0.000 0.864 786 R HN 0.087 nan 8.270 nan 0.000 0.440 787 V N 0.816 120.528 119.914 -0.337 0.000 2.261 787 V HA -0.257 3.865 4.120 0.003 0.000 0.246 787 V C 2.213 178.260 176.094 -0.077 0.000 1.047 787 V CA 2.064 64.096 62.300 -0.445 0.000 1.015 787 V CB -0.419 30.982 31.823 -0.704 0.000 0.642 787 V HN 0.313 nan 8.190 nan 0.000 0.446 788 S N 0.639 116.286 115.700 -0.088 0.000 2.365 788 S HA -0.261 4.211 4.470 0.003 0.000 0.225 788 S C 2.192 176.852 174.600 0.100 0.000 1.039 788 S CA 1.624 59.821 58.200 -0.005 0.000 1.033 788 S CB -0.645 62.525 63.200 -0.049 0.000 0.887 788 S HN 0.672 nan 8.310 nan 0.000 0.447 789 A N 0.959 123.831 122.820 0.087 0.000 1.930 789 A HA 0.023 4.345 4.320 0.003 0.000 0.217 789 A C 2.147 179.828 177.584 0.162 0.000 1.175 789 A CA 1.265 53.375 52.037 0.121 0.000 0.627 789 A CB -0.589 18.468 19.000 0.094 0.000 0.815 789 A HN 0.413 nan 8.150 nan 0.000 0.443 790 L N -2.107 119.252 121.223 0.226 0.000 2.156 790 L HA -0.047 4.294 4.340 0.003 0.000 0.208 790 L C 2.251 179.313 176.870 0.321 0.000 1.095 790 L CA 1.607 56.629 54.840 0.304 0.000 0.770 790 L CB -0.499 41.830 42.059 0.450 0.000 0.914 790 L HN 0.501 nan 8.230 nan 0.000 0.439 791 Y N 0.747 121.123 120.300 0.127 0.000 2.352 791 Y HA -0.191 4.361 4.550 0.003 0.000 0.292 791 Y C 1.898 177.739 175.900 -0.098 0.000 1.136 791 Y CA 1.292 59.282 58.100 -0.184 0.000 1.227 791 Y CB -0.181 38.085 38.460 -0.323 0.000 0.991 791 Y HN 0.114 nan 8.280 nan 0.000 0.545 792 K N 1.362 121.762 120.400 -0.001 0.000 3.225 792 K HA -0.037 4.285 4.320 0.003 0.000 0.282 792 K C -0.616 175.956 176.600 -0.046 0.000 1.060 792 K CA 0.417 56.696 56.287 -0.014 0.000 1.186 792 K CB -1.004 31.596 32.500 0.166 0.000 1.214 792 K HN 0.272 nan 8.250 nan 0.000 0.428 793 N N 0.288 118.941 118.700 -0.079 0.000 3.211 793 N HA 0.126 4.868 4.740 0.003 0.000 0.183 793 N C -2.621 172.870 175.510 -0.032 0.000 1.447 793 N CA -1.028 52.002 53.050 -0.034 0.000 0.840 793 N CB 1.067 39.572 38.487 0.029 0.000 1.611 793 N HN -0.083 nan 8.380 nan 0.000 0.610 794 P HA -0.160 nan 4.420 nan 0.000 0.218 794 P C 1.407 178.721 177.300 0.022 0.000 1.152 794 P CA 1.186 64.223 63.100 -0.104 0.000 0.857 794 P CB 0.324 31.918 31.700 -0.176 0.000 0.787 795 R N -0.368 120.142 120.500 0.018 0.000 2.073 795 R HA -0.156 4.186 4.340 0.003 0.000 0.234 795 R C 1.969 178.315 176.300 0.076 0.000 1.134 795 R CA 1.357 57.482 56.100 0.041 0.000 0.952 795 R CB -0.304 30.010 30.300 0.023 0.000 0.850 795 R HN 0.149 nan 8.270 nan 0.000 0.433 796 E N -0.853 119.401 120.200 0.089 0.000 2.158 796 E HA -0.184 4.168 4.350 0.003 0.000 0.191 796 E C 1.470 178.149 176.600 0.130 0.000 0.982 796 E CA 0.665 57.119 56.400 0.090 0.000 0.823 796 E CB -0.274 29.473 29.700 0.077 0.000 0.766 796 E HN 0.420 nan 8.360 nan 0.000 0.468 797 W N 2.065 123.373 121.300 0.013 0.000 2.353 797 W HA -0.189 4.472 4.660 0.002 0.000 0.319 797 W C 2.233 178.763 176.519 0.019 0.000 1.207 797 W CA 2.438 59.809 57.345 0.043 0.000 1.291 797 W CB -0.443 29.058 29.460 0.068 0.000 1.159 797 W HN -0.052 nan 8.180 nan 0.000 0.478 798 T N 0.854 115.646 114.554 0.397 0.000 2.822 798 T HA -0.231 4.121 4.350 0.003 0.000 0.270 798 T C 1.656 176.387 174.700 0.051 0.000 1.064 798 T CA 1.681 63.909 62.100 0.213 0.000 1.131 798 T CB -0.269 68.686 68.868 0.145 0.000 0.858 798 T HN 0.235 nan 8.240 nan 0.000 0.483 799 R N -0.073 120.451 120.500 0.040 0.000 2.140 799 R HA 0.270 4.611 4.340 0.003 0.000 0.213 799 R C 2.454 178.731 176.300 -0.039 0.000 1.059 799 R CA 0.583 56.691 56.100 0.014 0.000 1.000 799 R CB -0.322 29.998 30.300 0.034 0.000 0.910 799 R HN 0.346 nan 8.270 nan 0.000 0.455 800 M N 0.878 120.421 119.600 -0.095 0.000 2.149 800 M HA -0.170 4.312 4.480 0.003 0.000 0.261 800 M C 1.934 178.108 176.300 -0.210 0.000 1.064 800 M CA 1.486 56.683 55.300 -0.172 0.000 1.102 800 M CB 0.023 32.464 32.600 -0.264 0.000 1.369 800 M HN -0.076 nan 8.290 nan 0.000 0.408 801 V N 0.511 120.263 119.914 -0.269 0.000 2.332 801 V HA -0.301 3.820 4.120 0.003 0.000 0.248 801 V C 2.200 178.223 176.094 -0.118 0.000 1.055 801 V CA 2.028 64.182 62.300 -0.244 0.000 1.038 801 V CB -0.624 31.060 31.823 -0.232 0.000 0.651 801 V HN 0.537 nan 8.190 nan 0.000 0.450 802 I N -0.882 119.648 120.570 -0.067 0.000 2.394 802 I HA -0.218 3.954 4.170 0.003 0.000 0.251 802 I C 2.724 178.856 176.117 0.026 0.000 1.136 802 I CA 1.394 62.695 61.300 0.001 0.000 1.425 802 I CB -0.381 37.657 38.000 0.063 0.000 1.079 802 I HN 0.199 nan 8.210 nan 0.000 0.425 803 R N 0.543 121.040 120.500 -0.004 0.000 2.073 803 R HA -0.087 4.254 4.340 0.003 0.000 0.229 803 R C 2.129 178.436 176.300 0.012 0.000 1.120 803 R CA 1.146 57.252 56.100 0.009 0.000 0.967 803 R CB -0.274 30.021 30.300 -0.008 0.000 0.862 803 R HN 0.454 nan 8.270 nan 0.000 0.436 804 N N 0.639 119.324 118.700 -0.025 0.000 2.166 804 N HA -0.149 4.593 4.740 0.003 0.000 0.186 804 N C 1.910 177.440 175.510 0.032 0.000 1.019 804 N CA 1.246 54.300 53.050 0.005 0.000 0.856 804 N CB -0.040 38.405 38.487 -0.071 0.000 0.993 804 N HN 0.215 nan 8.380 nan 0.000 0.426 805 I N 1.268 121.840 120.570 0.004 0.000 2.163 805 I HA -0.174 3.998 4.170 0.003 0.000 0.240 805 I C 2.382 178.521 176.117 0.038 0.000 1.081 805 I CA 0.755 62.063 61.300 0.013 0.000 1.353 805 I CB -0.369 37.624 38.000 -0.012 0.000 1.054 805 I HN 0.024 nan 8.210 nan 0.000 0.407 806 A N -0.512 122.340 122.820 0.053 0.000 2.178 806 A HA -0.173 4.149 4.320 0.003 0.000 0.218 806 A C 2.246 179.863 177.584 0.055 0.000 1.157 806 A CA 1.966 54.037 52.037 0.057 0.000 0.689 806 A CB -0.787 18.259 19.000 0.076 0.000 0.787 806 A HN 0.384 nan 8.150 nan 0.000 0.465 807 T N -1.006 113.591 114.554 0.071 0.000 3.081 807 T HA 0.061 4.413 4.350 0.003 0.000 0.250 807 T C 1.962 176.741 174.700 0.133 0.000 1.100 807 T CA 0.861 63.013 62.100 0.086 0.000 1.038 807 T CB -0.267 68.658 68.868 0.095 0.000 0.962 807 T HN 0.515 nan 8.240 nan 0.000 0.516 808 S N 1.102 116.896 115.700 0.157 0.000 2.390 808 S HA -0.238 4.234 4.470 0.003 0.000 0.234 808 S C 2.337 177.084 174.600 0.245 0.000 1.063 808 S CA 1.634 59.982 58.200 0.247 0.000 1.108 808 S CB -1.097 62.199 63.200 0.159 0.000 0.975 808 S HN 0.708 nan 8.310 nan 0.000 0.442 809 G N 2.200 111.058 108.800 0.097 0.000 2.873 809 G HA2 -0.442 3.519 3.960 0.003 0.000 0.233 809 G HA3 -0.442 3.519 3.960 0.003 0.000 0.233 809 G C 1.227 176.074 174.900 -0.088 0.000 1.124 809 G CA 1.700 46.812 45.100 0.021 0.000 0.747 809 G HN 0.465 nan 8.290 nan 0.000 0.644 810 K N -0.200 120.027 120.400 -0.289 0.000 2.442 810 K HA -0.075 4.247 4.320 0.003 0.000 0.200 810 K C 1.198 177.351 176.600 -0.746 0.000 1.045 810 K CA 0.900 56.816 56.287 -0.618 0.000 0.937 810 K CB -0.211 31.689 32.500 -1.000 0.000 0.757 810 K HN 0.496 nan 8.250 nan 0.000 0.474 811 F N -0.448 119.518 119.950 0.026 0.000 2.661 811 F HA 0.171 4.700 4.527 0.002 0.000 0.306 811 F C 0.811 176.645 175.800 0.057 0.000 1.094 811 F CA -0.554 57.469 58.000 0.039 0.000 1.254 811 F CB 0.230 39.251 39.000 0.034 0.000 1.040 811 F HN -0.222 nan 8.300 nan 0.000 0.562 812 S N 0.484 116.281 115.700 0.161 0.000 2.564 812 S HA 0.087 4.559 4.470 0.003 0.000 0.278 812 S C 1.490 176.181 174.600 0.151 0.000 1.333 812 S CA 0.129 58.417 58.200 0.147 0.000 1.048 812 S CB 0.837 64.096 63.200 0.099 0.000 0.900 812 S HN 0.336 nan 8.310 nan 0.000 0.505 813 S N 2.831 118.647 115.700 0.193 0.000 2.515 813 S HA -0.052 4.420 4.470 0.003 0.000 0.231 813 S C 0.921 175.598 174.600 0.127 0.000 0.987 813 S CA 0.539 58.878 58.200 0.232 0.000 0.936 813 S CB -0.341 63.098 63.200 0.398 0.000 0.766 813 S HN 0.805 nan 8.310 nan 0.000 0.528 814 D N 1.993 122.450 120.400 0.095 0.000 2.144 814 D HA -0.107 4.535 4.640 0.003 0.000 0.199 814 D C 2.095 178.403 176.300 0.014 0.000 0.984 814 D CA 0.826 54.859 54.000 0.056 0.000 0.834 814 D CB -0.288 40.542 40.800 0.050 0.000 0.955 814 D HN 0.338 nan 8.370 nan 0.000 0.465 815 R N 1.205 121.707 120.500 0.003 0.000 2.060 815 R HA -0.070 4.272 4.340 0.003 0.000 0.225 815 R C 1.972 178.224 176.300 -0.080 0.000 1.155 815 R CA 1.715 57.791 56.100 -0.040 0.000 0.930 815 R CB -1.227 29.046 30.300 -0.046 0.000 0.829 815 R HN 0.033 nan 8.270 nan 0.000 0.433 816 T N 2.727 117.237 114.554 -0.074 0.000 2.714 816 T HA -0.171 4.181 4.350 0.003 0.000 0.268 816 T C 1.922 176.474 174.700 -0.247 0.000 1.036 816 T CA 1.563 63.570 62.100 -0.154 0.000 1.148 816 T CB -0.170 68.675 68.868 -0.038 0.000 0.856 816 T HN 0.129 nan 8.240 nan 0.000 0.462 817 I N 1.473 121.930 120.570 -0.188 0.000 2.113 817 I HA -0.127 4.045 4.170 0.003 0.000 0.238 817 I C 2.978 179.004 176.117 -0.153 0.000 1.070 817 I CA 1.337 62.545 61.300 -0.154 0.000 1.332 817 I CB -1.660 36.308 38.000 -0.054 0.000 1.044 817 I HN 0.223 nan 8.210 nan 0.000 0.402 818 A N 0.155 122.914 122.820 -0.102 0.000 1.927 818 A HA -0.291 4.030 4.320 0.003 0.000 0.220 818 A C 2.160 179.640 177.584 -0.173 0.000 1.185 818 A CA 1.869 53.849 52.037 -0.095 0.000 0.639 818 A CB -0.856 18.105 19.000 -0.065 0.000 0.820 818 A HN 0.585 nan 8.150 nan 0.000 0.451 819 Q N -2.225 117.432 119.800 -0.239 0.000 2.291 819 Q HA -0.188 4.154 4.340 0.003 0.000 0.206 819 Q C 1.736 177.443 176.000 -0.488 0.000 0.976 819 Q CA 1.433 57.043 55.803 -0.322 0.000 0.875 819 Q CB -0.215 28.314 28.738 -0.348 0.000 0.927 819 Q HN 0.863 nan 8.270 nan 0.000 0.450 820 Y N 0.041 120.014 120.300 -0.544 0.000 2.176 820 Y HA -0.102 4.450 4.550 0.003 0.000 0.291 820 Y C 2.423 177.775 175.900 -0.913 0.000 1.122 820 Y CA 0.840 58.352 58.100 -0.979 0.000 1.128 820 Y CB -0.734 36.741 38.460 -1.642 0.000 1.005 820 Y HN 0.079 nan 8.280 nan 0.000 0.509 821 A N 0.639 123.213 122.820 -0.410 0.000 1.869 821 A HA -0.262 4.060 4.320 0.003 0.000 0.218 821 A C 2.241 179.808 177.584 -0.029 0.000 1.203 821 A CA 2.353 54.368 52.037 -0.036 0.000 0.638 821 A CB -0.659 18.372 19.000 0.051 0.000 0.831 821 A HN 0.428 nan 8.150 nan 0.000 0.450 822 R N -0.918 119.533 120.500 -0.083 0.000 2.062 822 R HA 0.018 4.359 4.340 0.003 0.000 0.213 822 R C 2.049 178.308 176.300 -0.069 0.000 1.214 822 R CA 1.075 57.142 56.100 -0.055 0.000 0.951 822 R CB -0.678 29.583 30.300 -0.065 0.000 0.804 822 R HN 0.560 nan 8.270 nan 0.000 0.473 823 E N 0.223 120.359 120.200 -0.107 0.000 2.393 823 E HA -0.174 4.178 4.350 0.003 0.000 0.201 823 E C 1.505 178.076 176.600 -0.048 0.000 1.025 823 E CA 1.024 57.374 56.400 -0.083 0.000 0.856 823 E CB 0.052 29.683 29.700 -0.115 0.000 0.771 823 E HN 0.424 nan 8.360 nan 0.000 0.526 824 I N -2.302 118.225 120.570 -0.071 0.000 3.990 824 I HA -0.017 4.155 4.170 0.003 0.000 0.275 824 I C 1.188 177.449 176.117 0.239 0.000 1.157 824 I CA -0.092 61.230 61.300 0.037 0.000 1.338 824 I CB -0.018 37.925 38.000 -0.095 0.000 1.588 824 I HN 0.126 nan 8.210 nan 0.000 0.441 825 W N 1.970 123.359 121.300 0.148 0.000 2.584 825 W HA 0.280 4.942 4.660 0.003 0.000 0.264 825 W C 1.435 178.003 176.519 0.081 0.000 1.264 825 W CA 0.916 58.330 57.345 0.114 0.000 1.306 825 W CB -1.080 28.429 29.460 0.080 0.000 1.110 825 W HN 0.350 nan 8.180 nan 0.000 0.606 826 G N 1.239 110.161 108.800 0.203 0.000 2.324 826 G HA2 -0.063 3.899 3.960 0.003 0.000 0.292 826 G HA3 -0.063 3.899 3.960 0.003 0.000 0.292 826 G C -0.372 174.594 174.900 0.110 0.000 1.079 826 G CA 0.215 45.382 45.100 0.111 0.000 1.026 826 G HN 0.498 nan 8.290 nan 0.000 0.506 827 V N -3.929 116.061 119.914 0.127 0.000 2.962 827 V HA 0.929 5.051 4.120 0.003 0.000 0.313 827 V C -0.402 175.736 176.094 0.074 0.000 1.099 827 V CA -1.652 60.709 62.300 0.101 0.000 0.971 827 V CB 2.393 34.298 31.823 0.137 0.000 1.028 827 V HN 0.154 nan 8.190 nan 0.000 0.430 828 E N 3.712 123.941 120.200 0.049 0.000 2.115 828 E HA 0.573 4.925 4.350 0.003 0.000 0.282 828 E C -2.420 174.208 176.600 0.046 0.000 0.987 828 E CA -2.068 54.355 56.400 0.039 0.000 0.797 828 E CB 1.327 31.043 29.700 0.027 0.000 1.086 828 E HN 0.770 nan 8.360 nan 0.000 0.397 829 P HA 0.069 nan 4.420 nan 0.000 0.271 829 P C -0.738 176.589 177.300 0.045 0.000 1.233 829 P CA -0.231 62.901 63.100 0.053 0.000 0.795 829 P CB 0.571 32.298 31.700 0.046 0.000 0.936 830 S N -0.571 115.158 115.700 0.048 0.000 2.586 830 S HA 0.305 4.777 4.470 0.003 0.000 0.296 830 S C -0.450 174.177 174.600 0.045 0.000 1.120 830 S CA -0.845 57.381 58.200 0.043 0.000 0.927 830 S CB 0.697 63.925 63.200 0.047 0.000 1.114 830 S HN 0.312 nan 8.310 nan 0.000 0.453 831 R N 2.132 122.656 120.500 0.040 0.000 2.721 831 R HA 0.203 4.545 4.340 0.003 0.000 0.296 831 R C 0.565 176.885 176.300 0.034 0.000 1.174 831 R CA -0.189 55.937 56.100 0.043 0.000 1.129 831 R CB 0.253 30.580 30.300 0.044 0.000 1.316 831 R HN 0.703 nan 8.270 nan 0.000 0.571 832 Q N 1.215 121.033 119.800 0.030 0.000 2.332 832 Q HA 0.089 4.431 4.340 0.003 0.000 0.263 832 Q C -0.564 175.439 176.000 0.004 0.000 0.979 832 Q CA -0.337 55.477 55.803 0.019 0.000 0.885 832 Q CB 0.754 29.507 28.738 0.025 0.000 1.218 832 Q HN -0.061 nan 8.270 nan 0.000 0.405 833 R N 2.598 123.094 120.500 -0.007 0.000 2.491 833 R HA 0.264 4.605 4.340 0.003 0.000 0.283 833 R C -0.847 175.426 176.300 -0.045 0.000 1.072 833 R CA -0.183 55.901 56.100 -0.027 0.000 1.048 833 R CB 0.311 30.594 30.300 -0.027 0.000 0.983 833 R HN 0.597 nan 8.270 nan 0.000 0.450 834 L N 5.962 127.138 121.223 -0.078 0.000 2.357 834 L HA 0.400 4.742 4.340 0.003 0.000 0.273 834 L C -1.354 175.455 176.870 -0.101 0.000 1.080 834 L CA -1.781 52.975 54.840 -0.139 0.000 0.803 834 L CB 1.361 43.280 42.059 -0.234 0.000 1.174 834 L HN 0.576 nan 8.230 nan 0.000 0.443 835 P HA -0.090 nan 4.420 nan 0.000 0.205 835 P C 0.392 177.666 177.300 -0.044 0.000 1.203 835 P CA 1.501 64.572 63.100 -0.048 0.000 0.926 835 P CB -0.087 31.596 31.700 -0.029 0.000 0.767 836 A N -0.863 121.932 122.820 -0.041 0.000 6.069 836 A HA -0.156 4.166 4.320 0.003 0.000 0.278 836 A C -1.581 175.999 177.584 -0.007 0.000 2.017 836 A CA 1.006 53.028 52.037 -0.025 0.000 0.717 836 A CB -3.292 15.686 19.000 -0.037 0.000 1.159 836 A HN 0.430 nan 8.150 nan 0.000 0.378 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.115 63.100 0.026 0.000 0.800 837 P CB 0.000 31.728 31.700 0.046 0.000 0.726