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 3lih_1_A DATA FIRST_RESID 20 DATA SEQUENCE SYHLDTTAPP PTNLSTLPNN TLFHLWRPRA HILPAEGQIG DPCAHYTDPS DATA SEQUENCE TGLFHVGFLH DGDGIAGATT ANLATYTDTS DNGSFLIQPG GKNDPVAVFD DATA SEQUENCE GAVIPVGVNN TPTLLYTSVS FLPIHWSIPY TRGSETQSLA VARDGGRRFD DATA SEQUENCE KLDQGPVIAD HPFAVDVTAF RAPFVFRSAR LDVLLSLDEE VARNETAVQQ DATA SEQUENCE AVDGWTEKNA PWYVAVSGGV HGVGPAQFLY RQNGGNASEF QYWEYLGEWW DATA SEQUENCE QEATNSSWGD EGTWAGRWGF NFETGNVLFL TEEGHDPQTG EVFVTLGTEG DATA SEQUENCE SGLPIVPQVS SIHDMLWAAG EVGVGSEQEG AKVEFSPSMA GFLDWGFSAY DATA SEQUENCE AAAGKVLPAS SAVSKTSGVE VDRYVSFVWL TGDQYEQADG FPTAQQGWTG DATA SEQUENCE SLLLPRELKV QTVENVVDNE LVREEGVSWV VGESDNQTAT LRTLGITIAR DATA SEQUENCE ETKAALLANG SVTAEEDRTL QTAAVVPFAQ SPSSKFFVLT AQLEFPASAR DATA SEQUENCE SSPLQSGFEI LASELERTAI YYQFSNESLV VDRSQTSAAA PTNPGLDSFT DATA SEQUENCE ESGKLRLFDV IENGQEQVET LDLTVVVDNA VVEVYANGRF ALSTWARSWY DATA SEQUENCE DNSTQIRFFH NGEGEVQFRN VSVSEGLYNA WPER 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.723 174.600 0.205 0.000 1.055 20 S CA 0.000 58.268 58.200 0.113 0.000 1.107 20 S CB 0.000 63.238 63.200 0.063 0.000 0.593 21 Y N 7.250 127.599 120.300 0.082 0.000 2.376 21 Y HA 0.531 5.082 4.550 0.000 0.000 0.326 21 Y C -0.208 175.784 175.900 0.153 0.000 0.970 21 Y CA -0.758 57.414 58.100 0.121 0.000 1.248 21 Y CB 0.611 39.110 38.460 0.066 0.000 1.117 21 Y HN 0.800 nan 8.280 nan 0.000 0.476 22 H N 5.300 124.040 119.070 -0.550 0.000 2.472 22 H HA 0.347 4.903 4.556 0.000 0.000 0.335 22 H C -1.172 173.646 175.328 -0.849 0.000 1.136 22 H CA -1.333 54.416 56.048 -0.498 0.000 1.264 22 H CB 1.688 31.306 29.762 -0.240 0.000 1.486 22 H HN 0.707 nan 8.280 nan 0.000 0.517 23 L N 2.610 123.385 121.223 -0.747 0.000 2.477 23 L HA 0.093 4.433 4.340 0.000 0.000 0.272 23 L C -0.012 176.491 176.870 -0.611 0.000 1.157 23 L CA 0.656 55.118 54.840 -0.630 0.000 0.889 23 L CB -0.045 41.824 42.059 -0.316 0.000 1.158 23 L HN 0.718 nan 8.230 nan 0.000 0.473 24 D N 2.650 122.798 120.400 -0.419 0.000 2.432 24 D HA 0.139 4.779 4.640 0.000 0.000 0.265 24 D C 0.612 176.868 176.300 -0.073 0.000 1.160 24 D CA -0.111 53.740 54.000 -0.248 0.000 0.911 24 D CB 0.925 41.626 40.800 -0.165 0.000 1.052 24 D HN 0.662 nan 8.370 nan 0.000 0.508 25 T N -0.754 113.650 114.554 -0.250 0.000 3.361 25 T HA -0.040 4.310 4.350 0.000 0.000 0.251 25 T C 1.370 176.011 174.700 -0.098 0.000 1.131 25 T CA 0.603 62.434 62.100 -0.448 0.000 1.001 25 T CB -0.361 68.135 68.868 -0.620 0.000 1.003 25 T HN 0.323 nan 8.240 nan 0.000 0.558 26 T N -2.498 112.116 114.554 0.099 0.000 3.010 26 T HA 0.663 5.013 4.350 0.000 0.000 0.257 26 T C 0.657 175.601 174.700 0.406 0.000 1.020 26 T CA -0.048 62.205 62.100 0.255 0.000 0.938 26 T CB 0.229 69.182 68.868 0.142 0.000 1.049 26 T HN 0.501 nan 8.240 nan 0.000 0.522 27 A N 1.826 124.869 122.820 0.372 0.000 2.313 27 A HA 0.843 5.163 4.320 0.000 0.000 0.323 27 A C -2.962 174.863 177.584 0.402 0.000 1.133 27 A CA -2.359 49.912 52.037 0.390 0.000 0.847 27 A CB 0.680 19.830 19.000 0.251 0.000 1.308 27 A HN 0.140 nan 8.150 nan 0.000 0.475 28 P HA 0.180 nan 4.420 nan 0.000 0.265 28 P C -2.353 174.821 177.300 -0.209 0.000 1.193 28 P CA -0.471 62.653 63.100 0.041 0.000 0.765 28 P CB 0.028 31.768 31.700 0.066 0.000 0.823 29 P HA 0.156 nan 4.420 nan 0.000 0.272 29 P C -2.357 174.598 177.300 -0.574 0.000 1.230 29 P CA -1.314 61.122 63.100 -1.107 0.000 0.788 29 P CB -0.578 29.837 31.700 -2.143 0.000 0.949 30 P HA -0.007 nan 4.420 nan 0.000 0.271 30 P C 1.136 178.231 177.300 -0.341 0.000 1.233 30 P CA 0.063 62.913 63.100 -0.417 0.000 0.789 30 P CB 0.177 31.566 31.700 -0.519 0.000 0.951 31 T N -2.461 111.941 114.554 -0.253 0.000 2.812 31 T HA -0.098 4.252 4.350 0.000 0.000 0.264 31 T C 0.883 175.470 174.700 -0.188 0.000 1.042 31 T CA 0.860 62.839 62.100 -0.202 0.000 1.140 31 T CB -0.553 68.226 68.868 -0.148 0.000 0.870 31 T HN 0.390 nan 8.240 nan 0.000 0.445 32 N N 0.720 119.313 118.700 -0.179 0.000 2.564 32 N HA 0.358 5.099 4.740 0.000 0.000 0.248 32 N C 0.641 176.059 175.510 -0.153 0.000 0.986 32 N CA -0.558 52.402 53.050 -0.150 0.000 0.921 32 N CB 0.656 39.073 38.487 -0.115 0.000 1.136 32 N HN 0.225 nan 8.380 nan 0.000 0.509 33 L N 1.142 122.272 121.223 -0.156 0.000 2.079 33 L HA -0.125 4.215 4.340 0.000 0.000 0.210 33 L C 1.610 178.420 176.870 -0.100 0.000 1.081 33 L CA 0.946 55.712 54.840 -0.123 0.000 0.752 33 L CB -0.191 41.797 42.059 -0.120 0.000 0.896 33 L HN 0.450 nan 8.230 nan 0.000 0.433 34 S N -1.005 114.627 115.700 -0.113 0.000 2.595 34 S HA -0.109 4.361 4.470 0.000 0.000 0.235 34 S C 1.831 176.398 174.600 -0.054 0.000 0.974 34 S CA 1.341 59.489 58.200 -0.087 0.000 0.942 34 S CB -0.378 62.770 63.200 -0.086 0.000 0.766 34 S HN 0.639 nan 8.310 nan 0.000 0.536 35 T N -0.948 113.571 114.554 -0.058 0.000 3.081 35 T HA 0.254 4.604 4.350 0.000 0.000 0.250 35 T C 0.468 175.163 174.700 -0.008 0.000 1.100 35 T CA -0.192 61.884 62.100 -0.039 0.000 1.038 35 T CB -0.203 68.628 68.868 -0.061 0.000 0.962 35 T HN -0.032 nan 8.240 nan 0.000 0.516 36 L N 2.121 123.349 121.223 0.008 0.000 2.466 36 L HA 0.473 4.813 4.340 0.000 0.000 0.257 36 L C -2.215 174.693 176.870 0.064 0.000 1.189 36 L CA -2.340 52.545 54.840 0.075 0.000 0.813 36 L CB -0.044 42.091 42.059 0.126 0.000 1.118 36 L HN -0.015 nan 8.230 nan 0.000 0.471 37 P HA 0.082 nan 4.420 nan 0.000 0.271 37 P C -0.788 176.546 177.300 0.056 0.000 1.218 37 P CA -0.376 62.761 63.100 0.061 0.000 0.780 37 P CB 0.300 32.039 31.700 0.064 0.000 0.901 38 N N 2.687 121.416 118.700 0.048 0.000 2.292 38 N HA -0.108 4.632 4.740 0.000 0.000 0.242 38 N C 0.688 176.242 175.510 0.073 0.000 1.243 38 N CA 0.834 53.918 53.050 0.057 0.000 0.851 38 N CB -0.621 37.898 38.487 0.053 0.000 1.093 38 N HN 0.508 nan 8.380 nan 0.000 0.450 39 N N -1.339 117.426 118.700 0.108 0.000 2.900 39 N HA -0.232 4.508 4.740 0.000 0.000 0.240 39 N C 0.371 175.968 175.510 0.143 0.000 0.953 39 N CA 1.275 54.423 53.050 0.164 0.000 0.950 39 N CB -1.024 37.524 38.487 0.102 0.000 1.102 39 N HN 0.532 nan 8.380 nan 0.000 0.593 40 T N 0.373 114.979 114.554 0.087 0.000 2.849 40 T HA -0.071 4.279 4.350 0.000 0.000 0.270 40 T C 1.371 176.092 174.700 0.034 0.000 1.066 40 T CA 0.969 63.105 62.100 0.059 0.000 1.130 40 T CB 0.008 68.913 68.868 0.061 0.000 0.864 40 T HN 0.323 nan 8.240 nan 0.000 0.481 41 L N -0.170 121.064 121.223 0.018 0.000 2.700 41 L HA 0.325 4.665 4.340 0.000 0.000 0.234 41 L C 1.574 178.435 176.870 -0.016 0.000 1.156 41 L CA -0.250 54.527 54.840 -0.105 0.000 0.946 41 L CB -0.419 41.513 42.059 -0.213 0.000 1.216 41 L HN 0.121 nan 8.230 nan 0.000 0.493 42 F N 1.211 121.161 119.950 -0.000 0.000 2.115 42 F HA -0.306 4.221 4.527 0.000 0.000 0.300 42 F C 2.203 178.014 175.800 0.019 0.000 1.092 42 F CA 2.146 60.186 58.000 0.067 0.000 1.245 42 F CB 0.038 38.977 39.000 -0.101 0.000 0.995 42 F HN 0.250 nan 8.300 nan 0.000 0.481 43 H N -1.964 117.257 119.070 0.252 0.000 2.595 43 H HA 0.067 4.623 4.556 0.000 0.000 0.265 43 H C 1.739 177.086 175.328 0.033 0.000 0.953 43 H CA 0.484 56.625 56.048 0.155 0.000 1.197 43 H CB -0.039 29.813 29.762 0.150 0.000 1.438 43 H HN 0.184 nan 8.280 nan 0.000 0.531 44 L N -0.020 121.156 121.223 -0.079 0.000 2.010 44 L HA -0.239 4.101 4.340 0.000 0.000 0.219 44 L C 0.875 177.570 176.870 -0.291 0.000 1.077 44 L CA 1.821 56.404 54.840 -0.429 0.000 0.773 44 L CB -0.285 41.153 42.059 -1.035 0.000 0.892 44 L HN 0.440 nan 8.230 nan 0.000 0.436 45 W N -0.877 120.535 121.300 0.187 0.000 2.870 45 W HA 0.342 5.002 4.660 0.000 0.000 0.358 45 W C 0.895 177.646 176.519 0.386 0.000 1.043 45 W CA -0.739 56.747 57.345 0.234 0.000 1.692 45 W CB -0.565 29.016 29.460 0.201 0.000 1.100 45 W HN 0.038 nan 8.180 nan 0.000 0.557 46 R N 3.238 124.072 120.500 0.556 0.000 2.522 46 R HA 0.037 4.377 4.340 0.000 0.000 0.284 46 R C -2.022 174.392 176.300 0.190 0.000 1.032 46 R CA -0.641 55.599 56.100 0.233 0.000 1.049 46 R CB 0.523 30.713 30.300 -0.183 0.000 0.956 46 R HN -0.254 nan 8.270 nan 0.000 0.422 47 P HA 0.120 nan 4.420 nan 0.000 0.278 47 P C -0.929 176.470 177.300 0.165 0.000 1.258 47 P CA -0.249 62.952 63.100 0.169 0.000 0.811 47 P CB 0.961 32.677 31.700 0.027 0.000 1.063 48 R N 0.144 120.774 120.500 0.217 0.000 2.394 48 R HA 0.431 4.771 4.340 0.000 0.000 0.220 48 R C 1.221 177.520 176.300 -0.003 0.000 0.887 48 R CA 0.209 56.352 56.100 0.072 0.000 1.034 48 R CB -0.265 29.980 30.300 -0.092 0.000 1.179 48 R HN 0.316 nan 8.270 nan 0.000 0.561 49 A N 0.547 123.372 122.820 0.007 0.000 2.465 49 A HA 0.325 4.645 4.320 0.000 0.000 0.255 49 A C -0.755 176.762 177.584 -0.111 0.000 1.274 49 A CA -0.395 51.486 52.037 -0.261 0.000 0.920 49 A CB -0.176 18.587 19.000 -0.394 0.000 1.033 49 A HN 0.277 nan 8.150 nan 0.000 0.516 50 H N -1.196 117.900 119.070 0.044 0.000 2.651 50 H HA 0.582 5.138 4.556 0.000 0.000 0.353 50 H C -0.360 175.086 175.328 0.196 0.000 1.178 50 H CA -0.649 55.449 56.048 0.084 0.000 1.224 50 H CB 1.141 30.921 29.762 0.030 0.000 1.702 50 H HN 0.167 nan 8.280 nan 0.000 0.550 51 I N 3.711 124.415 120.570 0.223 0.000 2.337 51 I HA 0.168 4.338 4.170 0.000 0.000 0.291 51 I C -1.055 175.067 176.117 0.008 0.000 1.046 51 I CA -0.274 61.138 61.300 0.186 0.000 1.324 51 I CB -0.203 37.778 38.000 -0.032 0.000 1.409 51 I HN 0.201 nan 8.210 nan 0.000 0.494 52 L N 6.485 127.625 121.223 -0.138 0.000 2.653 52 L HA 0.704 5.044 4.340 0.000 0.000 0.257 52 L C -2.958 173.559 176.870 -0.588 0.000 0.969 52 L CA -2.259 52.334 54.840 -0.412 0.000 0.869 52 L CB 0.429 42.319 42.059 -0.281 0.000 1.439 52 L HN 0.145 nan 8.230 nan 0.000 0.414 53 P HA 0.143 nan 4.420 nan 0.000 0.272 53 P C 0.504 177.551 177.300 -0.422 0.000 1.254 53 P CA 0.311 63.139 63.100 -0.453 0.000 0.795 53 P CB 0.566 31.982 31.700 -0.473 0.000 1.022 54 A N 0.062 122.686 122.820 -0.327 0.000 1.972 54 A HA -0.097 4.223 4.320 0.000 0.000 0.219 54 A C 1.072 178.666 177.584 0.017 0.000 1.169 54 A CA 1.516 53.431 52.037 -0.202 0.000 0.635 54 A CB -0.560 18.366 19.000 -0.124 0.000 0.810 54 A HN 0.756 nan 8.150 nan 0.000 0.446 55 E N -3.512 116.749 120.200 0.102 0.000 2.449 55 E HA 0.468 4.818 4.350 0.000 0.000 0.278 55 E C 0.194 176.997 176.600 0.338 0.000 1.059 55 E CA -0.252 56.329 56.400 0.301 0.000 0.854 55 E CB -0.030 29.869 29.700 0.332 0.000 1.465 55 E HN 1.508 nan 8.360 nan 0.000 0.462 56 G N 0.642 109.662 108.800 0.366 0.000 2.741 56 G HA2 -0.095 3.865 3.960 0.000 0.000 0.222 56 G HA3 -0.095 3.865 3.960 0.000 0.000 0.222 56 G C -0.638 174.457 174.900 0.325 0.000 1.364 56 G CA 0.348 45.628 45.100 0.300 0.000 0.866 56 G HN 1.001 nan 8.290 nan 0.000 0.555 57 Q N -0.971 118.975 119.800 0.242 0.000 2.235 57 Q HA 0.786 5.126 4.340 0.000 0.000 0.256 57 Q C -0.150 176.057 176.000 0.344 0.000 0.951 57 Q CA -0.845 55.113 55.803 0.259 0.000 0.890 57 Q CB 1.844 30.688 28.738 0.177 0.000 1.279 57 Q HN 1.418 nan 8.270 nan 0.000 0.444 58 I N 2.272 123.021 120.570 0.298 0.000 2.433 58 I HA 0.773 4.943 4.170 0.000 0.000 0.292 58 I C -0.254 176.007 176.117 0.241 0.000 1.001 58 I CA -0.630 60.794 61.300 0.207 0.000 1.119 58 I CB 1.453 39.423 38.000 -0.050 0.000 1.289 58 I HN 0.875 nan 8.210 nan 0.000 0.438 59 G N 4.512 113.295 108.800 -0.028 0.000 2.940 59 G HA2 0.220 4.180 3.960 0.000 0.000 0.164 59 G HA3 0.220 4.180 3.960 0.000 0.000 0.164 59 G C -0.978 173.298 174.900 -1.041 0.000 1.326 59 G CA -0.522 44.236 45.100 -0.570 0.000 1.020 59 G HN 0.558 nan 8.290 nan 0.000 0.586 60 D N 2.106 121.939 120.400 -0.944 0.000 2.533 60 D HA 0.212 4.852 4.640 0.000 0.000 0.236 60 D C -1.937 174.257 176.300 -0.176 0.000 1.137 60 D CA -0.068 53.600 54.000 -0.553 0.000 0.867 60 D CB 0.962 41.580 40.800 -0.303 0.000 1.170 60 D HN 0.002 nan 8.370 nan 0.000 0.474 61 P HA 0.155 nan 4.420 nan 0.000 0.282 61 P C -0.551 176.768 177.300 0.032 0.000 1.262 61 P CA -0.540 62.657 63.100 0.162 0.000 0.773 61 P CB 0.498 32.404 31.700 0.344 0.000 0.879 62 C N -0.198 119.002 119.300 -0.166 0.000 3.311 62 C HA 0.854 5.314 4.460 0.000 0.000 0.325 62 C C 0.522 175.215 174.990 -0.494 0.000 1.352 62 C CA -0.163 58.677 59.018 -0.296 0.000 1.308 62 C CB 0.758 28.430 27.740 -0.113 0.000 1.619 62 C HN 0.762 nan 8.230 nan 0.000 0.469 63 A N 0.554 123.144 122.820 -0.382 0.000 2.925 63 A HA -0.068 4.252 4.320 0.000 0.000 0.265 63 A C 0.040 177.542 177.584 -0.138 0.000 1.419 63 A CA 1.139 53.006 52.037 -0.282 0.000 0.807 63 A CB -2.836 15.974 19.000 -0.317 0.000 1.043 63 A HN 1.368 nan 8.150 nan 0.000 0.600 64 H N -0.813 118.286 119.070 0.048 0.000 2.615 64 H HA 0.634 5.190 4.556 0.000 0.000 0.363 64 H C 0.172 175.542 175.328 0.070 0.000 1.148 64 H CA 1.037 57.054 56.048 -0.051 0.000 1.401 64 H CB 0.403 30.194 29.762 0.049 0.000 1.461 64 H HN 1.049 nan 8.280 nan 0.000 0.588 65 Y N -2.764 117.373 120.300 -0.273 0.000 2.598 65 Y HA 0.261 4.811 4.550 0.000 0.000 0.333 65 Y C -1.412 174.407 175.900 -0.135 0.000 1.196 65 Y CA -1.068 56.965 58.100 -0.111 0.000 1.145 65 Y CB 0.336 38.748 38.460 -0.081 0.000 1.349 65 Y HN 0.405 nan 8.280 nan 0.000 0.469 66 T N 3.154 117.818 114.554 0.184 0.000 2.743 66 T HA 0.131 4.481 4.350 0.000 0.000 0.293 66 T C -0.743 174.069 174.700 0.188 0.000 0.945 66 T CA -0.206 62.017 62.100 0.206 0.000 1.030 66 T CB 0.514 69.581 68.868 0.332 0.000 0.912 66 T HN 0.630 nan 8.240 nan 0.000 0.483 67 D N 4.375 124.822 120.400 0.078 0.000 2.358 67 D HA 0.128 4.768 4.640 0.000 0.000 0.258 67 D C -1.452 174.938 176.300 0.150 0.000 1.223 67 D CA -2.209 51.877 54.000 0.143 0.000 0.886 67 D CB 1.464 42.328 40.800 0.106 0.000 1.120 67 D HN 0.134 nan 8.370 nan 0.000 0.482 68 P HA -0.170 nan 4.420 nan 0.000 0.216 68 P C 1.449 178.803 177.300 0.089 0.000 1.150 68 P CA 0.994 64.166 63.100 0.120 0.000 0.843 68 P CB 0.237 32.003 31.700 0.110 0.000 0.787 69 S N -1.051 114.695 115.700 0.078 0.000 2.348 69 S HA -0.142 4.329 4.470 0.000 0.000 0.221 69 S C 1.926 176.561 174.600 0.059 0.000 1.033 69 S CA 2.372 60.606 58.200 0.058 0.000 1.010 69 S CB -1.297 61.930 63.200 0.045 0.000 0.891 69 S HN 0.322 nan 8.310 nan 0.000 0.442 70 T N -3.353 111.245 114.554 0.073 0.000 3.022 70 T HA 0.436 4.786 4.350 0.000 0.000 0.250 70 T C 1.595 176.335 174.700 0.065 0.000 1.060 70 T CA 0.993 63.131 62.100 0.064 0.000 1.013 70 T CB -0.000 68.909 68.868 0.069 0.000 0.982 70 T HN 1.043 nan 8.240 nan 0.000 0.508 71 G N 1.513 110.365 108.800 0.087 0.000 2.189 71 G HA2 -0.241 3.720 3.960 0.000 0.000 0.267 71 G HA3 -0.241 3.720 3.960 0.000 0.000 0.267 71 G C 0.029 174.990 174.900 0.102 0.000 0.975 71 G CA 0.412 45.567 45.100 0.093 0.000 0.644 71 G HN 0.644 nan 8.290 nan 0.000 0.537 72 L N -0.326 120.952 121.223 0.092 0.000 2.439 72 L HA 0.557 4.897 4.340 0.000 0.000 0.269 72 L C 0.606 177.552 176.870 0.128 0.000 1.179 72 L CA -0.818 54.059 54.840 0.061 0.000 0.828 72 L CB 0.561 42.602 42.059 -0.031 0.000 1.106 72 L HN 0.117 nan 8.230 nan 0.000 0.467 73 F N 2.481 122.396 119.950 -0.059 0.000 2.405 73 F HA 0.309 4.836 4.527 0.000 0.000 0.355 73 F C 0.302 176.033 175.800 -0.115 0.000 1.121 73 F CA -0.343 57.638 58.000 -0.032 0.000 1.112 73 F CB 0.293 39.297 39.000 0.007 0.000 1.126 73 F HN 0.325 nan 8.300 nan 0.000 0.481 74 H N 5.200 123.711 119.070 -0.932 0.000 2.473 74 H HA 0.514 5.070 4.556 0.000 0.000 0.327 74 H C -0.745 174.182 175.328 -0.670 0.000 1.105 74 H CA -0.728 54.887 56.048 -0.723 0.000 1.280 74 H CB 1.920 31.098 29.762 -0.973 0.000 1.450 74 H HN 0.320 nan 8.280 nan 0.000 0.492 75 V N 2.217 122.010 119.914 -0.202 0.000 2.628 75 V HA 0.544 4.664 4.120 0.000 0.000 0.306 75 V C 0.508 176.598 176.094 -0.008 0.000 1.045 75 V CA -0.686 61.558 62.300 -0.094 0.000 0.905 75 V CB 1.950 33.644 31.823 -0.215 0.000 0.997 75 V HN 0.958 nan 8.190 nan 0.000 0.436 76 G N 2.624 111.489 108.800 0.109 0.000 2.605 76 G HA2 0.922 4.882 3.960 0.000 0.000 0.296 76 G HA3 0.922 4.882 3.960 0.000 0.000 0.296 76 G C -1.507 173.366 174.900 -0.045 0.000 1.304 76 G CA -0.628 44.364 45.100 -0.181 0.000 0.941 76 G HN 0.972 nan 8.290 nan 0.000 0.475 77 F N -1.527 118.387 119.950 -0.061 0.000 2.725 77 F HA 0.507 5.034 4.527 0.000 0.000 0.311 77 F C -1.088 174.684 175.800 -0.046 0.000 1.121 77 F CA -1.671 56.288 58.000 -0.067 0.000 0.978 77 F CB 0.475 39.445 39.000 -0.050 0.000 1.274 77 F HN 0.490 nan 8.300 nan 0.000 0.440 78 L N 2.803 124.150 121.223 0.206 0.000 2.461 78 L HA 0.334 4.674 4.340 0.000 0.000 0.272 78 L C -0.561 176.536 176.870 0.379 0.000 1.197 78 L CA 0.152 55.109 54.840 0.195 0.000 0.836 78 L CB 0.331 42.421 42.059 0.051 0.000 1.105 78 L HN 0.843 nan 8.230 nan 0.000 0.477 79 H N 2.217 121.445 119.070 0.263 0.000 2.877 79 H HA 0.184 4.740 4.556 0.000 0.000 0.347 79 H C -0.575 174.956 175.328 0.338 0.000 1.042 79 H CA -0.883 55.315 56.048 0.250 0.000 1.276 79 H CB 1.011 30.790 29.762 0.029 0.000 1.681 79 H HN 0.625 nan 8.280 nan 0.000 0.521 80 D N 3.905 124.317 120.400 0.019 0.000 2.882 80 D HA -0.176 4.464 4.640 0.000 0.000 0.229 80 D C 1.091 177.450 176.300 0.098 0.000 1.167 80 D CA 1.753 55.751 54.000 -0.004 0.000 0.759 80 D CB -1.344 39.379 40.800 -0.130 0.000 1.088 80 D HN 1.148 nan 8.370 nan 0.000 0.425 81 G N 0.682 109.568 108.800 0.143 0.000 2.269 81 G HA2 -0.339 3.621 3.960 0.000 0.000 0.277 81 G HA3 -0.339 3.621 3.960 0.000 0.000 0.277 81 G C 0.335 175.317 174.900 0.137 0.000 1.008 81 G CA 0.824 46.012 45.100 0.146 0.000 0.774 81 G HN 0.537 nan 8.290 nan 0.000 0.511 82 D N -0.752 119.737 120.400 0.147 0.000 2.720 82 D HA 0.505 5.145 4.640 0.000 0.000 0.285 82 D C 0.944 177.220 176.300 -0.041 0.000 1.359 82 D CA 1.333 55.336 54.000 0.006 0.000 0.818 82 D CB -0.146 40.579 40.800 -0.125 0.000 1.108 82 D HN 1.363 nan 8.370 nan 0.000 0.474 83 G N -0.017 108.885 108.800 0.169 0.000 2.384 83 G HA2 -0.078 3.882 3.960 0.000 0.000 0.668 83 G HA3 -0.078 3.882 3.960 0.000 0.000 0.668 83 G C -0.884 174.217 174.900 0.335 0.000 1.280 83 G CA -0.815 44.389 45.100 0.172 0.000 0.992 83 G HN 0.138 nan 8.290 nan 0.000 0.512 84 I N 1.511 122.188 120.570 0.179 0.000 2.325 84 I HA 0.558 4.728 4.170 0.000 0.000 0.291 84 I C 0.962 177.099 176.117 0.032 0.000 1.019 84 I CA -0.160 61.168 61.300 0.047 0.000 1.302 84 I CB 1.223 39.148 38.000 -0.125 0.000 1.401 84 I HN 0.933 nan 8.210 nan 0.000 0.485 85 A N 4.788 127.448 122.820 -0.267 0.000 2.288 85 A HA 0.972 5.292 4.320 0.000 0.000 0.328 85 A C -0.027 177.106 177.584 -0.752 0.000 1.123 85 A CA -0.430 51.287 52.037 -0.533 0.000 0.861 85 A CB 1.514 20.028 19.000 -0.811 0.000 1.272 85 A HN 0.796 nan 8.150 nan 0.000 0.490 86 G N -1.864 106.611 108.800 -0.541 0.000 2.708 86 G HA2 0.823 4.783 3.960 0.000 0.000 0.289 86 G HA3 0.823 4.783 3.960 0.000 0.000 0.289 86 G C -0.931 173.865 174.900 -0.174 0.000 1.416 86 G CA 0.077 44.940 45.100 -0.396 0.000 0.829 86 G HN 1.896 nan 8.290 nan 0.000 0.480 87 A N -0.676 122.112 122.820 -0.053 0.000 2.609 87 A HA 0.969 5.289 4.320 0.000 0.000 0.291 87 A C -0.237 177.324 177.584 -0.037 0.000 1.096 87 A CA 0.103 52.188 52.037 0.079 0.000 0.684 87 A CB 1.519 20.726 19.000 0.345 0.000 1.282 87 A HN 1.909 nan 8.150 nan 0.000 0.412 88 T N -1.825 112.689 114.554 -0.067 0.000 2.916 88 T HA 0.843 5.193 4.350 0.000 0.000 0.292 88 T C -0.395 174.251 174.700 -0.090 0.000 1.055 88 T CA -0.366 61.596 62.100 -0.231 0.000 1.009 88 T CB 1.877 70.483 68.868 -0.437 0.000 1.118 88 T HN 1.530 nan 8.240 nan 0.000 0.497 89 T N -0.890 113.603 114.554 -0.101 0.000 2.923 89 T HA 0.659 5.010 4.350 0.000 0.000 0.311 89 T C 0.358 174.995 174.700 -0.106 0.000 1.183 89 T CA 0.030 62.030 62.100 -0.168 0.000 1.020 89 T CB 1.342 70.043 68.868 -0.279 0.000 1.165 89 T HN 1.022 nan 8.240 nan 0.000 0.482 90 A N 2.818 125.550 122.820 -0.148 0.000 2.192 90 A HA 0.275 4.595 4.320 0.000 0.000 0.208 90 A C 1.324 178.843 177.584 -0.108 0.000 1.220 90 A CA 0.661 52.641 52.037 -0.095 0.000 0.900 90 A CB -0.098 18.848 19.000 -0.091 0.000 0.937 90 A HN 0.822 nan 8.150 nan 0.000 0.487 91 N N -1.501 117.096 118.700 -0.171 0.000 2.181 91 N HA 0.191 4.931 4.740 0.000 0.000 0.207 91 N C 0.290 175.682 175.510 -0.197 0.000 1.182 91 N CA 0.141 53.087 53.050 -0.174 0.000 0.893 91 N CB 0.311 38.681 38.487 -0.195 0.000 1.032 91 N HN 0.335 nan 8.380 nan 0.000 0.513 92 L N -0.983 120.105 121.223 -0.226 0.000 3.634 92 L HA -0.255 4.085 4.340 0.000 0.000 0.423 92 L C 0.380 177.117 176.870 -0.221 0.000 1.253 92 L CA 0.594 55.320 54.840 -0.189 0.000 0.885 92 L CB -1.520 40.459 42.059 -0.133 0.000 1.789 92 L HN 0.461 nan 8.230 nan 0.000 0.904 93 A N -2.264 120.322 122.820 -0.389 0.000 1.704 93 A HA 0.525 4.845 4.320 0.000 0.000 0.211 93 A C 0.687 178.089 177.584 -0.304 0.000 1.792 93 A CA 0.719 52.598 52.037 -0.263 0.000 1.264 93 A CB 0.290 19.088 19.000 -0.335 0.000 1.235 93 A HN 0.834 nan 8.150 nan 0.000 0.440 94 T N -1.660 112.571 114.554 -0.539 0.000 2.888 94 T HA 0.746 5.096 4.350 0.000 0.000 0.284 94 T C -0.865 173.263 174.700 -0.952 0.000 1.017 94 T CA -0.402 61.387 62.100 -0.518 0.000 1.022 94 T CB 1.326 70.043 68.868 -0.251 0.000 1.013 94 T HN 0.211 nan 8.240 nan 0.000 0.465 95 Y N -0.501 119.461 120.300 -0.562 0.000 2.545 95 Y HA 0.644 5.194 4.550 0.000 0.000 0.348 95 Y C 0.339 175.975 175.900 -0.439 0.000 1.002 95 Y CA -1.032 56.672 58.100 -0.659 0.000 1.039 95 Y CB 2.722 40.433 38.460 -1.248 0.000 1.271 95 Y HN 0.716 nan 8.280 nan 0.000 0.467 96 T N 1.858 116.413 114.554 0.001 0.000 2.848 96 T HA 0.246 4.596 4.350 0.000 0.000 0.285 96 T C -1.164 173.702 174.700 0.277 0.000 0.995 96 T CA -1.014 61.183 62.100 0.162 0.000 0.970 96 T CB 0.986 69.884 68.868 0.050 0.000 0.976 96 T HN 0.437 nan 8.240 nan 0.000 0.441 97 D N 2.185 122.801 120.400 0.360 0.000 2.414 97 D HA 0.074 4.714 4.640 0.000 0.000 0.242 97 D C 1.541 177.904 176.300 0.105 0.000 1.129 97 D CA 0.198 54.340 54.000 0.237 0.000 0.885 97 D CB 1.641 42.523 40.800 0.136 0.000 1.198 97 D HN 0.688 nan 8.370 nan 0.000 0.437 98 T N -0.974 113.613 114.554 0.054 0.000 2.821 98 T HA -0.082 4.268 4.350 0.000 0.000 0.267 98 T C 1.105 175.826 174.700 0.035 0.000 1.046 98 T CA 0.939 63.059 62.100 0.034 0.000 1.139 98 T CB 0.097 68.985 68.868 0.034 0.000 0.871 98 T HN 0.490 nan 8.240 nan 0.000 0.454 99 S N 0.770 116.488 115.700 0.030 0.000 2.800 99 S HA 0.555 5.025 4.470 0.000 0.000 0.293 99 S C -2.078 172.539 174.600 0.029 0.000 1.209 99 S CA -0.669 57.552 58.200 0.035 0.000 0.884 99 S CB 1.443 64.669 63.200 0.043 0.000 1.244 99 S HN 0.542 nan 8.310 nan 0.000 0.540 100 D N -0.997 119.427 120.400 0.039 0.000 2.449 100 D HA 0.631 5.271 4.640 0.000 0.000 0.250 100 D C -0.254 176.084 176.300 0.063 0.000 1.050 100 D CA -0.671 53.352 54.000 0.039 0.000 1.024 100 D CB 0.149 40.971 40.800 0.037 0.000 1.218 100 D HN 0.797 nan 8.370 nan 0.000 0.566 101 N N -0.926 117.815 118.700 0.068 0.000 2.780 101 N HA -0.142 4.598 4.740 0.000 0.000 0.247 101 N C 0.800 176.414 175.510 0.173 0.000 1.076 101 N CA 1.798 54.914 53.050 0.110 0.000 0.688 101 N CB -1.172 37.380 38.487 0.108 0.000 0.957 101 N HN 1.240 nan 8.380 nan 0.000 0.551 102 G N -1.237 107.630 108.800 0.112 0.000 2.279 102 G HA2 -0.180 3.780 3.960 0.000 0.000 0.223 102 G HA3 -0.180 3.780 3.960 0.000 0.000 0.223 102 G C 0.559 175.311 174.900 -0.247 0.000 1.015 102 G CA 0.855 45.981 45.100 0.043 0.000 0.621 102 G HN 1.684 nan 8.290 nan 0.000 0.506 103 S N -1.094 114.555 115.700 -0.086 0.000 3.672 103 S HA -0.202 4.268 4.470 0.000 0.000 0.319 103 S C 0.482 174.993 174.600 -0.149 0.000 1.151 103 S CA 1.015 59.148 58.200 -0.111 0.000 0.911 103 S CB -1.806 61.295 63.200 -0.165 0.000 0.939 103 S HN 1.326 nan 8.310 nan 0.000 0.524 104 F N 0.765 120.731 119.950 0.027 0.000 2.506 104 F HA 0.296 4.823 4.527 0.000 0.000 0.351 104 F C 1.576 177.377 175.800 0.002 0.000 1.136 104 F CA 0.365 58.373 58.000 0.012 0.000 1.298 104 F CB 0.465 39.488 39.000 0.039 0.000 1.145 104 F HN 0.152 nan 8.300 nan 0.000 0.593 105 L N 2.827 124.181 121.223 0.218 0.000 2.425 105 L HA 0.398 4.738 4.340 0.000 0.000 0.215 105 L C 0.091 177.048 176.870 0.146 0.000 1.065 105 L CA 0.318 55.266 54.840 0.181 0.000 0.842 105 L CB 0.527 42.703 42.059 0.196 0.000 1.033 105 L HN 0.518 nan 8.230 nan 0.000 0.474 106 I N -0.593 120.025 120.570 0.080 0.000 2.753 106 I HA 0.246 4.417 4.170 0.000 0.000 0.291 106 I C -1.851 174.210 176.117 -0.093 0.000 1.425 106 I CA -0.329 60.943 61.300 -0.046 0.000 1.039 106 I CB 2.171 40.054 38.000 -0.194 0.000 1.349 106 I HN 0.028 nan 8.210 nan 0.000 0.430 107 Q N 7.076 126.791 119.800 -0.141 0.000 2.495 107 Q HA 0.584 4.924 4.340 0.000 0.000 0.287 107 Q C -2.627 173.295 176.000 -0.131 0.000 1.078 107 Q CA -1.764 53.923 55.803 -0.193 0.000 0.793 107 Q CB 2.470 31.004 28.738 -0.339 0.000 1.459 107 Q HN 0.395 nan 8.270 nan 0.000 0.422 108 P HA 0.055 nan 4.420 nan 0.000 0.274 108 P C 0.187 177.441 177.300 -0.076 0.000 1.260 108 P CA 0.577 63.634 63.100 -0.072 0.000 0.793 108 P CB 0.549 32.208 31.700 -0.068 0.000 1.048 109 G N -1.977 106.785 108.800 -0.064 0.000 2.260 109 G HA2 -0.085 3.875 3.960 0.000 0.000 0.179 109 G HA3 -0.085 3.875 3.960 0.000 0.000 0.179 109 G C 0.489 175.361 174.900 -0.048 0.000 1.002 109 G CA -0.050 45.013 45.100 -0.061 0.000 0.677 109 G HN 0.870 nan 8.290 nan 0.000 0.486 110 G N -0.203 108.576 108.800 -0.034 0.000 2.588 110 G HA2 0.500 4.460 3.960 0.000 0.000 0.278 110 G HA3 0.500 4.460 3.960 0.000 0.000 0.278 110 G C 0.868 175.746 174.900 -0.037 0.000 1.307 110 G CA 0.361 45.449 45.100 -0.021 0.000 1.016 110 G HN 0.277 nan 8.290 nan 0.000 0.503 111 K N -0.501 119.879 120.400 -0.032 0.000 2.167 111 K HA -0.026 4.294 4.320 0.000 0.000 0.203 111 K C 1.941 178.507 176.600 -0.058 0.000 1.052 111 K CA 0.865 57.125 56.287 -0.044 0.000 0.956 111 K CB 0.081 32.562 32.500 -0.031 0.000 0.735 111 K HN 0.257 nan 8.250 nan 0.000 0.451 112 N N 1.433 120.104 118.700 -0.050 0.000 2.416 112 N HA -0.074 4.666 4.740 0.000 0.000 0.177 112 N C -0.355 175.100 175.510 -0.091 0.000 1.036 112 N CA 0.986 53.993 53.050 -0.073 0.000 0.901 112 N CB 0.258 38.695 38.487 -0.084 0.000 0.976 112 N HN 0.292 nan 8.380 nan 0.000 0.444 113 D N -0.937 119.430 120.400 -0.056 0.000 2.739 113 D HA 0.162 4.802 4.640 0.000 0.000 0.335 113 D C -2.168 174.082 176.300 -0.083 0.000 1.216 113 D CA -1.541 52.426 54.000 -0.056 0.000 0.808 113 D CB 1.151 41.989 40.800 0.063 0.000 1.121 113 D HN 0.053 nan 8.370 nan 0.000 0.499 114 P HA -0.086 nan 4.420 nan 0.000 0.220 114 P C 1.137 178.353 177.300 -0.139 0.000 1.152 114 P CA 0.291 63.309 63.100 -0.137 0.000 0.812 114 P CB 0.768 32.364 31.700 -0.174 0.000 0.792 115 V N -0.842 118.968 119.914 -0.174 0.000 2.672 115 V HA 0.374 4.494 4.120 0.000 0.000 0.242 115 V C 1.269 177.296 176.094 -0.113 0.000 1.059 115 V CA 1.239 63.452 62.300 -0.146 0.000 1.081 115 V CB -0.297 31.419 31.823 -0.178 0.000 0.752 115 V HN 0.195 nan 8.190 nan 0.000 0.472 116 A N -0.967 121.759 122.820 -0.156 0.000 2.601 116 A HA 0.711 5.031 4.320 0.000 0.000 0.291 116 A C -1.732 175.781 177.584 -0.119 0.000 1.075 116 A CA -0.332 51.631 52.037 -0.124 0.000 0.671 116 A CB 1.794 20.706 19.000 -0.148 0.000 1.277 116 A HN -0.058 nan 8.150 nan 0.000 0.417 117 V N 2.185 122.119 119.914 0.034 0.000 2.376 117 V HA 0.543 4.663 4.120 0.000 0.000 0.287 117 V C -0.860 175.453 176.094 0.365 0.000 1.015 117 V CA -0.353 62.028 62.300 0.135 0.000 0.834 117 V CB 0.685 32.520 31.823 0.020 0.000 1.001 117 V HN 0.700 nan 8.190 nan 0.000 0.428 118 F N 1.140 121.167 119.950 0.129 0.000 2.362 118 F HA 0.522 5.049 4.527 0.000 0.000 0.340 118 F C 0.950 176.795 175.800 0.075 0.000 1.088 118 F CA -1.719 56.336 58.000 0.091 0.000 1.096 118 F CB 0.424 39.482 39.000 0.095 0.000 1.486 118 F HN 0.450 nan 8.300 nan 0.000 0.500 119 D N -0.458 120.080 120.400 0.230 0.000 2.429 119 D HA 0.386 5.026 4.640 0.000 0.000 0.233 119 D C 0.377 176.741 176.300 0.107 0.000 1.202 119 D CA 0.833 54.894 54.000 0.102 0.000 0.879 119 D CB 0.266 41.105 40.800 0.065 0.000 1.212 119 D HN 0.701 nan 8.370 nan 0.000 0.465 120 G N -1.798 107.018 108.800 0.027 0.000 2.608 120 G HA2 0.710 4.670 3.960 0.000 0.000 0.291 120 G HA3 0.710 4.670 3.960 0.000 0.000 0.291 120 G C -1.885 172.969 174.900 -0.076 0.000 1.425 120 G CA -0.280 44.818 45.100 -0.004 0.000 0.787 120 G HN 0.624 nan 8.290 nan 0.000 0.484 121 A N -0.998 121.743 122.820 -0.133 0.000 2.515 121 A HA 0.865 5.185 4.320 0.000 0.000 0.296 121 A C -1.203 176.210 177.584 -0.286 0.000 1.094 121 A CA -0.609 51.315 52.037 -0.188 0.000 0.718 121 A CB 1.964 20.840 19.000 -0.207 0.000 1.307 121 A HN 1.428 nan 8.150 nan 0.000 0.408 122 V N 1.575 121.310 119.914 -0.298 0.000 2.555 122 V HA 0.426 4.546 4.120 0.000 0.000 0.302 122 V C -0.432 175.410 176.094 -0.421 0.000 1.038 122 V CA -0.256 61.809 62.300 -0.391 0.000 0.887 122 V CB 1.543 33.062 31.823 -0.506 0.000 0.991 122 V HN 0.696 nan 8.190 nan 0.000 0.434 123 I N 6.520 126.772 120.570 -0.529 0.000 2.312 123 I HA 0.265 4.435 4.170 0.000 0.000 0.290 123 I C -1.535 174.351 176.117 -0.385 0.000 1.008 123 I CA -1.753 59.123 61.300 -0.707 0.000 1.226 123 I CB 2.060 39.520 38.000 -0.900 0.000 1.371 123 I HN 0.460 nan 8.210 nan 0.000 0.468 124 P HA -0.148 nan 4.420 nan 0.000 0.214 124 P C 0.149 177.426 177.300 -0.038 0.000 1.163 124 P CA 1.192 64.280 63.100 -0.019 0.000 0.889 124 P CB 0.160 31.967 31.700 0.178 0.000 0.790 125 V N -0.752 119.183 119.914 0.036 0.000 2.257 125 V HA 0.547 4.667 4.120 0.000 0.000 0.269 125 V C 0.828 176.915 176.094 -0.011 0.000 1.040 125 V CA 0.024 62.346 62.300 0.038 0.000 0.813 125 V CB 0.403 32.307 31.823 0.135 0.000 1.065 125 V HN 0.133 nan 8.190 nan 0.000 0.457 126 G N 2.964 111.616 108.800 -0.248 0.000 3.414 126 G HA2 0.464 4.424 3.960 0.000 0.000 0.196 126 G HA3 0.464 4.424 3.960 0.000 0.000 0.196 126 G C -0.030 174.474 174.900 -0.660 0.000 1.486 126 G CA -0.447 44.258 45.100 -0.659 0.000 0.811 126 G HN 0.336 nan 8.290 nan 0.000 0.704 127 V N 2.093 121.570 119.914 -0.730 0.000 2.694 127 V HA 0.079 4.199 4.120 0.000 0.000 0.306 127 V C 0.547 176.523 176.094 -0.196 0.000 1.054 127 V CA 0.504 62.574 62.300 -0.384 0.000 1.161 127 V CB 0.756 32.405 31.823 -0.290 0.000 0.916 127 V HN 0.702 nan 8.190 nan 0.000 0.490 128 N N 3.422 122.064 118.700 -0.097 0.000 2.681 128 N HA -0.227 4.513 4.740 0.000 0.000 0.250 128 N C 0.514 175.988 175.510 -0.061 0.000 1.133 128 N CA 1.174 54.187 53.050 -0.062 0.000 0.732 128 N CB -1.365 37.080 38.487 -0.070 0.000 1.107 128 N HN 0.886 nan 8.380 nan 0.000 0.559 129 N N -2.520 116.143 118.700 -0.061 0.000 2.714 129 N HA -0.203 4.537 4.740 0.000 0.000 0.250 129 N C -0.149 175.323 175.510 -0.063 0.000 1.117 129 N CA 1.719 54.747 53.050 -0.036 0.000 0.719 129 N CB -1.744 36.745 38.487 0.002 0.000 1.081 129 N HN 0.799 nan 8.380 nan 0.000 0.557 130 T N -3.791 110.691 114.554 -0.119 0.000 2.932 130 T HA 0.596 4.946 4.350 0.000 0.000 0.289 130 T C -3.035 171.550 174.700 -0.192 0.000 1.039 130 T CA -2.123 59.897 62.100 -0.134 0.000 1.024 130 T CB 3.007 71.786 68.868 -0.148 0.000 1.090 130 T HN -0.291 nan 8.240 nan 0.000 0.496 131 P HA 0.179 nan 4.420 nan 0.000 0.260 131 P C -0.612 176.546 177.300 -0.238 0.000 1.172 131 P CA 0.306 63.207 63.100 -0.331 0.000 0.760 131 P CB 0.124 31.508 31.700 -0.526 0.000 0.773 132 T N 4.572 118.966 114.554 -0.266 0.000 2.812 132 T HA 0.421 4.771 4.350 0.000 0.000 0.282 132 T C -0.480 174.086 174.700 -0.225 0.000 0.990 132 T CA -0.469 61.519 62.100 -0.188 0.000 0.960 132 T CB 0.586 69.253 68.868 -0.336 0.000 0.948 132 T HN 0.128 nan 8.240 nan 0.000 0.438 133 L N 4.801 125.929 121.223 -0.157 0.000 2.276 133 L HA 0.693 5.033 4.340 0.000 0.000 0.286 133 L C -1.048 175.739 176.870 -0.139 0.000 1.061 133 L CA -0.683 53.964 54.840 -0.321 0.000 0.807 133 L CB 0.682 42.342 42.059 -0.665 0.000 1.177 133 L HN 0.518 nan 8.230 nan 0.000 0.429 134 L N 7.523 128.640 121.223 -0.177 0.000 2.280 134 L HA 0.570 4.910 4.340 0.000 0.000 0.287 134 L C -1.090 175.724 176.870 -0.093 0.000 1.023 134 L CA -0.210 54.520 54.840 -0.184 0.000 0.819 134 L CB 0.747 42.611 42.059 -0.325 0.000 1.212 134 L HN 0.686 nan 8.230 nan 0.000 0.420 135 Y N 0.794 120.966 120.300 -0.214 0.000 2.609 135 Y HA 0.716 5.266 4.550 0.000 0.000 0.342 135 Y C -0.486 175.337 175.900 -0.128 0.000 1.058 135 Y CA -1.132 56.872 58.100 -0.161 0.000 1.055 135 Y CB 0.986 39.356 38.460 -0.150 0.000 1.292 135 Y HN 0.383 nan 8.280 nan 0.000 0.476 136 T N 2.968 117.524 114.554 0.003 0.000 2.727 136 T HA 0.307 4.657 4.350 0.000 0.000 0.295 136 T C -0.351 174.300 174.700 -0.083 0.000 0.915 136 T CA -0.446 61.603 62.100 -0.084 0.000 1.066 136 T CB -0.329 68.589 68.868 0.084 0.000 0.891 136 T HN 0.674 nan 8.240 nan 0.000 0.516 137 S N 2.786 118.300 115.700 -0.310 0.000 2.499 137 S HA 0.575 5.045 4.470 0.000 0.000 0.279 137 S C -0.056 174.431 174.600 -0.187 0.000 1.219 137 S CA -0.936 57.135 58.200 -0.214 0.000 1.062 137 S CB 0.988 63.994 63.200 -0.325 0.000 0.978 137 S HN 0.413 nan 8.310 nan 0.000 0.489 138 V N 2.890 122.666 119.914 -0.230 0.000 2.459 138 V HA 0.442 4.562 4.120 0.000 0.000 0.295 138 V C 0.366 176.304 176.094 -0.261 0.000 1.029 138 V CA -0.578 61.539 62.300 -0.305 0.000 0.874 138 V CB 1.581 33.043 31.823 -0.601 0.000 0.985 138 V HN 1.039 nan 8.190 nan 0.000 0.438 139 S N 2.880 118.422 115.700 -0.264 0.000 2.578 139 S HA 0.482 4.952 4.470 0.000 0.000 0.228 139 S C -0.398 173.655 174.600 -0.911 0.000 1.022 139 S CA 0.123 58.001 58.200 -0.537 0.000 0.967 139 S CB 0.185 63.045 63.200 -0.566 0.000 0.914 139 S HN 0.564 nan 8.310 nan 0.000 0.515 140 F N 0.644 120.527 119.950 -0.112 0.000 2.628 140 F HA 0.596 5.123 4.527 0.000 0.000 0.309 140 F C -0.731 175.015 175.800 -0.089 0.000 1.108 140 F CA -0.891 57.053 58.000 -0.094 0.000 0.971 140 F CB 1.350 40.286 39.000 -0.106 0.000 1.279 140 F HN -0.174 nan 8.300 nan 0.000 0.441 141 L N 2.799 124.109 121.223 0.144 0.000 2.376 141 L HA 0.660 5.000 4.340 0.000 0.000 0.258 141 L C -2.231 174.693 176.870 0.090 0.000 1.013 141 L CA -1.752 53.150 54.840 0.103 0.000 0.822 141 L CB 2.610 44.726 42.059 0.094 0.000 1.388 141 L HN 0.477 nan 8.230 nan 0.000 0.413 142 P HA 0.500 nan 4.420 nan 0.000 0.278 142 P C -1.284 176.079 177.300 0.106 0.000 1.266 142 P CA -0.356 62.804 63.100 0.099 0.000 0.807 142 P CB 1.497 33.241 31.700 0.073 0.000 1.094 143 I N 0.647 121.323 120.570 0.177 0.000 2.512 143 I HA 0.352 4.522 4.170 0.000 0.000 0.287 143 I C -0.301 175.996 176.117 0.300 0.000 1.069 143 I CA -0.462 60.964 61.300 0.211 0.000 1.056 143 I CB 1.611 39.771 38.000 0.266 0.000 1.229 143 I HN 0.460 nan 8.210 nan 0.000 0.429 144 H N 6.214 125.376 119.070 0.154 0.000 3.079 144 H HA 0.118 4.674 4.556 0.000 0.000 0.356 144 H C -0.259 175.123 175.328 0.090 0.000 1.221 144 H CA -0.728 55.358 56.048 0.062 0.000 1.185 144 H CB 2.238 31.925 29.762 -0.126 0.000 1.882 144 H HN 0.819 nan 8.280 nan 0.000 0.543 145 W N 3.014 124.118 121.300 -0.327 0.000 2.392 145 W HA -0.121 4.539 4.660 0.000 0.000 0.279 145 W C 0.893 177.473 176.519 0.101 0.000 1.225 145 W CA 1.209 58.472 57.345 -0.136 0.000 1.233 145 W CB -1.002 28.327 29.460 -0.218 0.000 1.122 145 W HN 0.411 nan 8.180 nan 0.000 0.561 146 S N 1.132 116.571 115.700 -0.435 0.000 2.561 146 S HA 0.081 4.551 4.470 0.000 0.000 0.225 146 S C 0.880 175.482 174.600 0.003 0.000 0.977 146 S CA 0.387 58.370 58.200 -0.363 0.000 0.926 146 S CB -0.917 61.756 63.200 -0.879 0.000 0.769 146 S HN 0.403 nan 8.310 nan 0.000 0.533 147 I N -2.814 117.830 120.570 0.123 0.000 2.957 147 I HA 0.687 4.857 4.170 0.000 0.000 0.310 147 I C -3.199 173.011 176.117 0.155 0.000 1.063 147 I CA -3.391 57.965 61.300 0.093 0.000 1.033 147 I CB 1.007 39.027 38.000 0.034 0.000 1.230 147 I HN -0.292 nan 8.210 nan 0.000 0.447 148 P HA 0.009 nan 4.420 nan 0.000 0.265 148 P C -1.508 175.871 177.300 0.132 0.000 1.193 148 P CA 0.462 63.551 63.100 -0.019 0.000 0.765 148 P CB 0.066 31.735 31.700 -0.052 0.000 0.823 149 Y N 2.451 122.788 120.300 0.061 0.000 2.336 149 Y HA 0.189 4.739 4.550 0.000 0.000 0.335 149 Y C 0.346 176.260 175.900 0.023 0.000 1.046 149 Y CA 0.229 58.392 58.100 0.106 0.000 1.198 149 Y CB 0.499 39.052 38.460 0.155 0.000 1.182 149 Y HN 0.236 nan 8.280 nan 0.000 0.502 150 T N 7.393 121.771 114.554 -0.295 0.000 2.761 150 T HA 0.181 4.531 4.350 0.000 0.000 0.296 150 T C -0.118 174.421 174.700 -0.268 0.000 0.934 150 T CA -0.568 61.352 62.100 -0.300 0.000 1.091 150 T CB 0.071 68.692 68.868 -0.412 0.000 0.896 150 T HN 0.512 nan 8.240 nan 0.000 0.515 151 R N 2.411 122.862 120.500 -0.082 0.000 2.537 151 R HA 0.299 4.639 4.340 0.000 0.000 0.281 151 R C 1.444 177.736 176.300 -0.013 0.000 0.988 151 R CA 1.497 57.630 56.100 0.055 0.000 1.077 151 R CB -0.607 29.697 30.300 0.006 0.000 0.932 151 R HN 0.952 nan 8.270 nan 0.000 0.409 152 G N 2.087 110.971 108.800 0.141 0.000 2.162 152 G HA2 -0.323 3.638 3.960 0.000 0.000 0.260 152 G HA3 -0.323 3.638 3.960 0.000 0.000 0.260 152 G C 0.961 176.038 174.900 0.296 0.000 0.976 152 G CA 0.621 45.839 45.100 0.197 0.000 0.655 152 G HN 0.605 nan 8.290 nan 0.000 0.533 153 S N 0.087 115.897 115.700 0.184 0.000 2.359 153 S HA 0.039 4.509 4.470 0.000 0.000 0.224 153 S C 0.883 175.551 174.600 0.113 0.000 1.035 153 S CA 1.759 60.037 58.200 0.130 0.000 1.018 153 S CB -0.017 62.987 63.200 -0.327 0.000 0.876 153 S HN 0.780 nan 8.310 nan 0.000 0.448 154 E N 0.776 121.119 120.200 0.237 0.000 2.218 154 E HA 0.432 4.782 4.350 0.000 0.000 0.263 154 E C -0.687 176.060 176.600 0.245 0.000 0.879 154 E CA -0.470 56.054 56.400 0.207 0.000 0.762 154 E CB 1.956 31.849 29.700 0.323 0.000 1.166 154 E HN 0.303 nan 8.360 nan 0.000 0.415 155 T N -0.035 114.555 114.554 0.061 0.000 2.930 155 T HA 0.434 4.784 4.350 0.000 0.000 0.290 155 T C -0.489 174.115 174.700 -0.159 0.000 1.052 155 T CA -1.187 60.926 62.100 0.021 0.000 1.017 155 T CB 1.574 70.430 68.868 -0.021 0.000 1.137 155 T HN 0.132 nan 8.240 nan 0.000 0.511 156 Q N 1.188 120.859 119.800 -0.215 0.000 2.325 156 Q HA 0.669 5.010 4.340 0.000 0.000 0.262 156 Q C -0.741 175.023 176.000 -0.393 0.000 0.968 156 Q CA -0.515 55.066 55.803 -0.369 0.000 0.877 156 Q CB 1.795 30.277 28.738 -0.426 0.000 1.253 156 Q HN 0.729 nan 8.270 nan 0.000 0.448 157 S N 1.602 116.947 115.700 -0.592 0.000 2.677 157 S HA 0.725 5.195 4.470 0.000 0.000 0.304 157 S C -0.204 174.189 174.600 -0.345 0.000 1.108 157 S CA -0.692 57.215 58.200 -0.487 0.000 0.944 157 S CB 1.246 64.107 63.200 -0.565 0.000 1.127 157 S HN 0.416 nan 8.310 nan 0.000 0.511 158 L N 1.176 122.328 121.223 -0.118 0.000 2.330 158 L HA 0.906 5.246 4.340 0.000 0.000 0.271 158 L C -0.234 176.703 176.870 0.112 0.000 1.013 158 L CA -0.700 54.140 54.840 -0.000 0.000 0.816 158 L CB 1.644 43.696 42.059 -0.012 0.000 1.287 158 L HN 0.755 nan 8.230 nan 0.000 0.435 159 A N 1.856 124.750 122.820 0.124 0.000 2.574 159 A HA 0.781 5.101 4.320 0.000 0.000 0.297 159 A C -1.446 176.245 177.584 0.177 0.000 1.062 159 A CA -0.447 51.685 52.037 0.158 0.000 0.686 159 A CB 1.942 21.056 19.000 0.191 0.000 1.285 159 A HN 0.329 nan 8.150 nan 0.000 0.403 160 V N 1.101 121.073 119.914 0.097 0.000 2.667 160 V HA 0.704 4.824 4.120 0.000 0.000 0.308 160 V C 0.770 176.686 176.094 -0.297 0.000 1.048 160 V CA -0.221 62.055 62.300 -0.039 0.000 0.928 160 V CB 1.792 33.552 31.823 -0.106 0.000 1.004 160 V HN 1.453 nan 8.190 nan 0.000 0.444 161 A N 5.753 128.186 122.820 -0.646 0.000 2.450 161 A HA 0.681 5.001 4.320 0.000 0.000 0.255 161 A C 0.083 177.355 177.584 -0.521 0.000 1.096 161 A CA -0.210 51.161 52.037 -1.110 0.000 0.778 161 A CB 0.106 18.463 19.000 -1.073 0.000 1.031 161 A HN 0.710 nan 8.150 nan 0.000 0.494 162 R N 1.295 121.535 120.500 -0.433 0.000 2.888 162 R HA 0.363 4.703 4.340 0.000 0.000 0.266 162 R C -0.759 175.441 176.300 -0.166 0.000 1.020 162 R CA -0.725 55.239 56.100 -0.227 0.000 0.963 162 R CB 0.736 30.939 30.300 -0.161 0.000 1.197 162 R HN 0.876 nan 8.270 nan 0.000 0.481 163 D N 0.588 120.929 120.400 -0.099 0.000 2.740 163 D HA -0.170 4.470 4.640 0.000 0.000 0.231 163 D C 0.677 176.954 176.300 -0.039 0.000 1.194 163 D CA 1.759 55.726 54.000 -0.056 0.000 0.673 163 D CB -0.960 39.815 40.800 -0.041 0.000 0.995 163 D HN 0.936 nan 8.370 nan 0.000 0.411 164 G N -0.301 108.476 108.800 -0.038 0.000 2.225 164 G HA2 0.038 3.999 3.960 0.000 0.000 0.267 164 G HA3 0.038 3.999 3.960 0.000 0.000 0.267 164 G C 1.422 176.364 174.900 0.070 0.000 1.024 164 G CA 0.854 45.965 45.100 0.019 0.000 0.784 164 G HN 1.815 nan 8.290 nan 0.000 0.507 165 G N -1.243 107.516 108.800 -0.068 0.000 2.179 165 G HA2 -0.326 3.634 3.960 0.000 0.000 0.260 165 G HA3 -0.326 3.634 3.960 0.000 0.000 0.260 165 G C 1.024 175.949 174.900 0.043 0.000 0.977 165 G CA 1.107 46.163 45.100 -0.073 0.000 0.641 165 G HN 0.959 nan 8.290 nan 0.000 0.533 166 R N -0.289 120.223 120.500 0.020 0.000 2.339 166 R HA 0.180 4.520 4.340 0.000 0.000 0.199 166 R C 1.169 177.488 176.300 0.031 0.000 1.018 166 R CA 1.030 57.156 56.100 0.043 0.000 1.036 166 R CB 0.154 30.470 30.300 0.025 0.000 0.899 166 R HN 0.485 nan 8.270 nan 0.000 0.473 167 R N -0.582 119.895 120.500 -0.039 0.000 2.687 167 R HA 0.185 4.525 4.340 0.000 0.000 0.265 167 R C -1.948 174.258 176.300 -0.157 0.000 1.048 167 R CA -0.566 55.532 56.100 -0.004 0.000 0.884 167 R CB 0.991 31.283 30.300 -0.014 0.000 1.258 167 R HN -0.100 nan 8.270 nan 0.000 0.469 168 F N 1.873 121.787 119.950 -0.060 0.000 2.460 168 F HA 0.340 4.867 4.527 0.000 0.000 0.341 168 F C -0.299 175.450 175.800 -0.085 0.000 1.130 168 F CA -0.529 57.415 58.000 -0.094 0.000 0.962 168 F CB 1.783 40.699 39.000 -0.140 0.000 1.171 168 F HN 0.255 nan 8.300 nan 0.000 0.436 169 D N 4.334 124.749 120.400 0.025 0.000 2.249 169 D HA 0.159 4.799 4.640 0.000 0.000 0.246 169 D C -0.188 176.142 176.300 0.050 0.000 1.114 169 D CA -0.352 53.658 54.000 0.017 0.000 0.854 169 D CB 1.358 42.143 40.800 -0.026 0.000 1.132 169 D HN 0.399 nan 8.370 nan 0.000 0.461 170 K N 1.911 122.345 120.400 0.055 0.000 2.412 170 K HA 0.184 4.504 4.320 0.000 0.000 0.281 170 K C 0.409 177.035 176.600 0.044 0.000 1.027 170 K CA -0.323 56.014 56.287 0.085 0.000 0.989 170 K CB 0.941 33.498 32.500 0.095 0.000 0.935 170 K HN 0.258 nan 8.250 nan 0.000 0.475 171 L N 2.292 123.538 121.223 0.038 0.000 2.485 171 L HA -0.047 4.293 4.340 0.000 0.000 0.275 171 L C 0.644 177.518 176.870 0.005 0.000 1.207 171 L CA 0.009 54.854 54.840 0.009 0.000 0.855 171 L CB 0.191 42.249 42.059 -0.001 0.000 1.114 171 L HN 0.660 nan 8.230 nan 0.000 0.485 172 D N 3.290 123.688 120.400 -0.003 0.000 2.671 172 D HA 0.142 4.782 4.640 0.000 0.000 0.228 172 D C -0.181 176.115 176.300 -0.007 0.000 1.102 172 D CA 0.079 54.077 54.000 -0.004 0.000 1.044 172 D CB 0.096 40.893 40.800 -0.006 0.000 1.113 172 D HN 0.523 nan 8.370 nan 0.000 0.480 173 Q N -0.504 119.290 119.800 -0.009 0.000 2.738 173 Q HA 0.558 4.898 4.340 0.000 0.000 0.301 173 Q C -0.090 175.899 176.000 -0.018 0.000 0.901 173 Q CA -1.393 54.403 55.803 -0.012 0.000 0.756 173 Q CB 0.257 28.986 28.738 -0.015 0.000 1.463 173 Q HN 0.081 nan 8.270 nan 0.000 0.432 174 G N 0.603 109.393 108.800 -0.017 0.000 2.611 174 G HA2 0.481 4.441 3.960 0.000 0.000 0.273 174 G HA3 0.481 4.441 3.960 0.000 0.000 0.273 174 G C -2.250 172.624 174.900 -0.042 0.000 1.305 174 G CA -1.014 44.072 45.100 -0.025 0.000 1.010 174 G HN 0.602 nan 8.290 nan 0.000 0.509 175 P HA 0.033 nan 4.420 nan 0.000 0.269 175 P C 1.161 178.433 177.300 -0.047 0.000 1.209 175 P CA -0.005 63.039 63.100 -0.093 0.000 0.776 175 P CB 1.282 32.921 31.700 -0.102 0.000 0.876 176 V N 0.321 120.203 119.914 -0.054 0.000 3.129 176 V HA 0.145 4.265 4.120 0.000 0.000 0.259 176 V C 1.026 177.173 176.094 0.087 0.000 1.116 176 V CA 0.970 63.295 62.300 0.043 0.000 1.127 176 V CB -0.754 31.171 31.823 0.171 0.000 0.742 176 V HN 0.322 nan 8.190 nan 0.000 0.474 177 I N 1.100 121.648 120.570 -0.037 0.000 2.563 177 I HA 0.550 4.720 4.170 0.000 0.000 0.276 177 I C 0.980 177.102 176.117 0.008 0.000 1.074 177 I CA -0.141 61.145 61.300 -0.024 0.000 1.124 177 I CB 1.436 39.296 38.000 -0.233 0.000 1.225 177 I HN 0.087 nan 8.210 nan 0.000 0.482 178 A N 3.379 126.224 122.820 0.041 0.000 2.238 178 A HA 0.142 4.462 4.320 0.000 0.000 0.208 178 A C 0.281 177.874 177.584 0.015 0.000 1.177 178 A CA 0.747 52.801 52.037 0.028 0.000 0.804 178 A CB -0.216 18.803 19.000 0.032 0.000 0.823 178 A HN 0.657 nan 8.150 nan 0.000 0.482 179 D N -2.130 118.266 120.400 -0.007 0.000 2.683 179 D HA 0.325 4.965 4.640 0.000 0.000 0.246 179 D C -0.650 175.411 176.300 -0.399 0.000 1.238 179 D CA -0.589 53.303 54.000 -0.181 0.000 0.759 179 D CB 0.537 41.206 40.800 -0.218 0.000 1.349 179 D HN 0.336 nan 8.370 nan 0.000 0.426 180 H N -0.944 117.723 119.070 -0.672 0.000 2.581 180 H HA 0.621 5.177 4.556 0.000 0.000 0.369 180 H C -2.349 172.528 175.328 -0.751 0.000 1.351 180 H CA -1.509 53.657 56.048 -1.471 0.000 1.434 180 H CB -1.039 27.811 29.762 -1.521 0.000 1.558 180 H HN 0.021 nan 8.280 nan 0.000 0.608 181 P HA -0.092 nan 4.420 nan 0.000 0.263 181 P C -0.532 176.765 177.300 -0.004 0.000 1.175 181 P CA 0.230 63.122 63.100 -0.347 0.000 0.761 181 P CB 0.049 31.456 31.700 -0.488 0.000 0.794 182 F N 4.181 124.077 119.950 -0.090 0.000 2.580 182 F HA 0.092 4.619 4.527 0.000 0.000 0.398 182 F C 1.297 177.117 175.800 0.034 0.000 1.023 182 F CA 0.933 58.915 58.000 -0.030 0.000 1.188 182 F CB -0.556 38.443 39.000 -0.003 0.000 1.005 182 F HN 0.649 nan 8.300 nan 0.000 0.546 183 A N 3.278 125.675 122.820 -0.706 0.000 2.910 183 A HA -0.223 4.098 4.320 0.000 0.000 0.267 183 A C 0.085 177.548 177.584 -0.202 0.000 1.310 183 A CA 0.955 52.657 52.037 -0.558 0.000 0.934 183 A CB -2.672 15.843 19.000 -0.807 0.000 1.057 183 A HN 0.669 nan 8.150 nan 0.000 0.742 184 V N 1.196 121.052 119.914 -0.098 0.000 2.432 184 V HA 0.330 4.450 4.120 0.000 0.000 0.275 184 V C 0.651 176.575 176.094 -0.283 0.000 1.043 184 V CA 0.273 62.499 62.300 -0.124 0.000 0.925 184 V CB 1.565 33.340 31.823 -0.080 0.000 0.985 184 V HN 0.451 nan 8.190 nan 0.000 0.466 185 D N 4.574 124.873 120.400 -0.169 0.000 2.608 185 D HA 0.122 4.762 4.640 0.000 0.000 0.224 185 D C 0.327 176.541 176.300 -0.142 0.000 1.123 185 D CA -0.190 53.726 54.000 -0.141 0.000 1.030 185 D CB 0.132 40.932 40.800 -0.000 0.000 1.093 185 D HN 0.448 nan 8.370 nan 0.000 0.497 186 V N 0.971 120.599 119.914 -0.476 0.000 2.872 186 V HA 0.147 4.267 4.120 0.000 0.000 0.307 186 V C 1.493 177.362 176.094 -0.375 0.000 1.072 186 V CA 0.386 62.427 62.300 -0.431 0.000 1.148 186 V CB 0.650 32.045 31.823 -0.713 0.000 0.954 186 V HN 0.424 nan 8.190 nan 0.000 0.490 187 T N -0.027 114.364 114.554 -0.272 0.000 3.067 187 T HA 0.626 4.976 4.350 0.000 0.000 0.257 187 T C 0.585 175.320 174.700 0.058 0.000 1.105 187 T CA 0.507 62.459 62.100 -0.246 0.000 1.104 187 T CB 0.037 68.757 68.868 -0.247 0.000 0.925 187 T HN 1.967 nan 8.240 nan 0.000 0.498 188 A N 0.316 123.156 122.820 0.032 0.000 2.569 188 A HA 0.622 4.942 4.320 0.000 0.000 0.292 188 A C -2.170 175.616 177.584 0.336 0.000 1.032 188 A CA -0.901 51.306 52.037 0.284 0.000 0.669 188 A CB 0.571 19.768 19.000 0.327 0.000 1.290 188 A HN 0.299 nan 8.150 nan 0.000 0.422 189 F N 1.649 121.727 119.950 0.213 0.000 3.167 189 F HA 0.585 5.112 4.527 0.000 0.000 0.389 189 F C -0.081 175.854 175.800 0.224 0.000 1.233 189 F CA -0.080 58.017 58.000 0.162 0.000 1.238 189 F CB 0.550 39.558 39.000 0.013 0.000 1.971 189 F HN 0.945 nan 8.300 nan 0.000 0.651 190 R N 2.224 122.749 120.500 0.041 0.000 2.756 190 R HA 0.822 5.162 4.340 0.000 0.000 0.273 190 R C -0.401 175.932 176.300 0.055 0.000 1.030 190 R CA -0.873 55.242 56.100 0.025 0.000 0.887 190 R CB 0.827 31.281 30.300 0.256 0.000 1.274 190 R HN 1.055 nan 8.270 nan 0.000 0.461 191 A N -0.262 122.605 122.820 0.077 0.000 2.648 191 A HA -0.072 4.248 4.320 0.000 0.000 0.297 191 A C -2.092 175.549 177.584 0.094 0.000 1.467 191 A CA 0.245 52.340 52.037 0.097 0.000 0.731 191 A CB -1.778 17.291 19.000 0.114 0.000 1.085 191 A HN 0.626 nan 8.150 nan 0.000 0.437 192 P HA 0.393 nan 4.420 nan 0.000 0.267 192 P C -0.518 176.871 177.300 0.148 0.000 1.205 192 P CA 0.436 63.548 63.100 0.019 0.000 0.765 192 P CB 0.456 32.056 31.700 -0.167 0.000 0.828 193 F N 4.910 124.921 119.950 0.102 0.000 2.518 193 F HA 0.365 4.892 4.527 0.000 0.000 0.323 193 F C -0.499 175.498 175.800 0.328 0.000 1.129 193 F CA -0.894 57.219 58.000 0.189 0.000 0.920 193 F CB 1.565 40.696 39.000 0.217 0.000 1.160 193 F HN 0.203 nan 8.300 nan 0.000 0.440 194 V N 4.735 124.536 119.914 -0.188 0.000 2.539 194 V HA 0.816 4.936 4.120 0.000 0.000 0.292 194 V C -0.948 175.396 176.094 0.417 0.000 1.045 194 V CA -0.656 61.725 62.300 0.135 0.000 0.945 194 V CB 1.154 32.961 31.823 -0.027 0.000 0.993 194 V HN 0.817 nan 8.190 nan 0.000 0.464 195 F N 0.931 121.239 119.950 0.597 0.000 2.713 195 F HA 0.862 5.389 4.527 0.000 0.000 0.311 195 F C -0.757 175.357 175.800 0.524 0.000 1.141 195 F CA -1.392 56.985 58.000 0.628 0.000 0.939 195 F CB 1.643 41.029 39.000 0.643 0.000 1.325 195 F HN 0.527 nan 8.300 nan 0.000 0.453 196 R N 0.805 121.535 120.500 0.382 0.000 2.778 196 R HA 0.770 5.110 4.340 0.000 0.000 0.277 196 R C -1.357 175.036 176.300 0.156 0.000 0.977 196 R CA -1.202 54.985 56.100 0.145 0.000 0.950 196 R CB 2.054 32.309 30.300 -0.076 0.000 1.165 196 R HN 0.827 nan 8.270 nan 0.000 0.474 197 S N 0.419 116.123 115.700 0.007 0.000 2.649 197 S HA 0.394 4.864 4.470 0.000 0.000 0.274 197 S C 0.123 174.294 174.600 -0.714 0.000 1.176 197 S CA -0.264 57.590 58.200 -0.577 0.000 0.988 197 S CB 1.657 64.663 63.200 -0.323 0.000 1.071 197 S HN 0.733 nan 8.310 nan 0.000 0.478 198 A N 4.863 126.780 122.820 -1.506 0.000 1.873 198 A HA 0.006 4.326 4.320 0.000 0.000 0.215 198 A C 2.022 179.180 177.584 -0.711 0.000 1.186 198 A CA 1.484 52.388 52.037 -1.889 0.000 0.616 198 A CB -0.640 17.263 19.000 -1.828 0.000 0.823 198 A HN 0.884 nan 8.150 nan 0.000 0.442 199 R N -0.368 119.835 120.500 -0.495 0.000 2.105 199 R HA -0.074 4.266 4.340 0.000 0.000 0.239 199 R C 1.932 178.167 176.300 -0.109 0.000 1.135 199 R CA 1.432 57.405 56.100 -0.212 0.000 0.967 199 R CB -0.351 29.883 30.300 -0.110 0.000 0.861 199 R HN 0.548 nan 8.270 nan 0.000 0.442 200 L N 0.306 121.447 121.223 -0.136 0.000 2.056 200 L HA -0.165 4.175 4.340 0.000 0.000 0.207 200 L C 1.798 178.728 176.870 0.100 0.000 1.078 200 L CA 1.233 56.022 54.840 -0.086 0.000 0.749 200 L CB -0.484 41.267 42.059 -0.513 0.000 0.901 200 L HN 0.186 nan 8.230 nan 0.000 0.433 201 D N -0.269 120.231 120.400 0.167 0.000 2.144 201 D HA -0.154 4.486 4.640 0.000 0.000 0.199 201 D C 2.279 178.669 176.300 0.151 0.000 0.984 201 D CA 0.972 55.123 54.000 0.251 0.000 0.834 201 D CB -0.218 40.801 40.800 0.365 0.000 0.955 201 D HN 0.058 nan 8.370 nan 0.000 0.465 202 V N 0.786 120.748 119.914 0.080 0.000 2.244 202 V HA -0.199 3.921 4.120 0.000 0.000 0.244 202 V C 2.623 178.751 176.094 0.056 0.000 1.042 202 V CA 1.138 63.474 62.300 0.061 0.000 1.006 202 V CB -0.554 31.279 31.823 0.016 0.000 0.641 202 V HN 0.200 nan 8.190 nan 0.000 0.446 203 L N -0.640 120.611 121.223 0.046 0.000 2.129 203 L HA -0.230 4.110 4.340 0.000 0.000 0.212 203 L C 2.277 179.188 176.870 0.068 0.000 1.087 203 L CA 1.510 56.381 54.840 0.051 0.000 0.757 203 L CB -0.460 41.631 42.059 0.053 0.000 0.896 203 L HN 0.339 nan 8.230 nan 0.000 0.434 204 L N -1.312 119.967 121.223 0.092 0.000 2.307 204 L HA -0.050 4.290 4.340 0.000 0.000 0.211 204 L C 2.707 179.622 176.870 0.075 0.000 1.099 204 L CA 0.844 55.742 54.840 0.097 0.000 0.816 204 L CB -0.270 41.875 42.059 0.143 0.000 0.952 204 L HN 0.322 nan 8.230 nan 0.000 0.455 205 S N -0.183 115.562 115.700 0.075 0.000 2.377 205 S HA 0.050 4.520 4.470 0.000 0.000 0.223 205 S C 1.040 175.666 174.600 0.045 0.000 1.030 205 S CA 0.001 58.236 58.200 0.059 0.000 0.970 205 S CB -0.473 62.769 63.200 0.069 0.000 0.830 205 S HN 0.155 nan 8.310 nan 0.000 0.473 206 L N 2.279 123.529 121.223 0.044 0.000 2.476 206 L HA 0.255 4.595 4.340 0.000 0.000 0.255 206 L C 0.319 177.207 176.870 0.030 0.000 1.218 206 L CA -0.587 54.273 54.840 0.034 0.000 0.819 206 L CB 0.098 42.176 42.059 0.031 0.000 1.119 206 L HN 0.278 nan 8.230 nan 0.000 0.485 207 D N 0.400 120.814 120.400 0.023 0.000 2.357 207 D HA -0.025 4.615 4.640 0.000 0.000 0.242 207 D C 0.804 177.117 176.300 0.021 0.000 1.153 207 D CA -0.083 53.930 54.000 0.020 0.000 0.918 207 D CB 0.788 41.598 40.800 0.016 0.000 1.181 207 D HN 0.615 nan 8.370 nan 0.000 0.435 208 E N -0.134 120.078 120.200 0.020 0.000 2.478 208 E HA -0.158 4.192 4.350 0.000 0.000 0.198 208 E C 0.950 177.560 176.600 0.015 0.000 1.046 208 E CA 0.851 57.262 56.400 0.019 0.000 0.870 208 E CB 0.181 29.892 29.700 0.019 0.000 0.818 208 E HN 0.282 nan 8.360 nan 0.000 0.527 209 E N 0.448 120.655 120.200 0.013 0.000 2.244 209 E HA 0.043 4.393 4.350 0.000 0.000 0.196 209 E C 1.696 178.302 176.600 0.010 0.000 0.939 209 E CA 0.306 56.712 56.400 0.010 0.000 0.884 209 E CB 0.551 30.256 29.700 0.009 0.000 0.850 209 E HN 0.117 nan 8.360 nan 0.000 0.481 210 V N 0.446 120.367 119.914 0.012 0.000 3.235 210 V HA 0.165 4.285 4.120 0.000 0.000 0.259 210 V C 1.607 177.709 176.094 0.013 0.000 1.133 210 V CA 1.176 63.483 62.300 0.012 0.000 1.128 210 V CB 0.261 32.092 31.823 0.013 0.000 0.757 210 V HN 0.313 nan 8.190 nan 0.000 0.469 211 A N -0.425 122.404 122.820 0.015 0.000 2.370 211 A HA 0.164 4.484 4.320 0.000 0.000 0.238 211 A C 1.931 179.523 177.584 0.012 0.000 1.289 211 A CA 0.056 52.103 52.037 0.017 0.000 0.885 211 A CB -0.245 18.770 19.000 0.024 0.000 0.961 211 A HN 0.289 nan 8.150 nan 0.000 0.499 212 R N 0.964 121.469 120.500 0.009 0.000 2.206 212 R HA 0.054 4.394 4.340 0.000 0.000 0.198 212 R C 0.043 176.343 176.300 0.001 0.000 0.986 212 R CA 0.381 56.483 56.100 0.004 0.000 1.029 212 R CB -0.371 29.931 30.300 0.003 0.000 0.966 212 R HN 0.749 nan 8.270 nan 0.000 0.487 213 N N 1.393 120.094 118.700 0.003 0.000 2.426 213 N HA 0.044 4.784 4.740 0.000 0.000 0.275 213 N C 0.014 175.524 175.510 0.001 0.000 1.019 213 N CA -0.081 52.970 53.050 0.001 0.000 0.941 213 N CB 1.571 40.059 38.487 0.002 0.000 1.123 213 N HN -0.021 nan 8.380 nan 0.000 0.486 214 E N 1.156 121.355 120.200 -0.002 0.000 2.265 214 E HA -0.138 4.212 4.350 0.000 0.000 0.196 214 E C 0.781 177.381 176.600 0.001 0.000 0.996 214 E CA 1.292 57.691 56.400 -0.002 0.000 0.832 214 E CB -0.079 29.617 29.700 -0.006 0.000 0.756 214 E HN 0.677 nan 8.360 nan 0.000 0.491 215 T N 1.042 115.597 114.554 0.002 0.000 2.674 215 T HA -0.198 4.152 4.350 0.000 0.000 0.265 215 T C 2.071 176.776 174.700 0.007 0.000 1.039 215 T CA 1.433 63.535 62.100 0.004 0.000 1.150 215 T CB -0.241 68.630 68.868 0.004 0.000 0.864 215 T HN 0.321 nan 8.240 nan 0.000 0.427 216 A N 0.975 123.800 122.820 0.008 0.000 1.873 216 A HA -0.016 4.305 4.320 0.000 0.000 0.215 216 A C 2.584 180.176 177.584 0.013 0.000 1.186 216 A CA 1.373 53.416 52.037 0.011 0.000 0.616 216 A CB -1.083 17.924 19.000 0.012 0.000 0.823 216 A HN 0.321 nan 8.150 nan 0.000 0.442 217 V N 0.056 119.976 119.914 0.010 0.000 2.214 217 V HA -0.365 3.755 4.120 0.000 0.000 0.247 217 V C 2.722 178.819 176.094 0.005 0.000 1.051 217 V CA 2.547 64.852 62.300 0.007 0.000 1.003 217 V CB -1.037 30.787 31.823 0.001 0.000 0.635 217 V HN 0.695 nan 8.190 nan 0.000 0.447 218 Q N 0.013 119.813 119.800 0.000 0.000 2.156 218 Q HA -0.298 4.042 4.340 0.000 0.000 0.211 218 Q C 2.169 178.175 176.000 0.010 0.000 0.995 218 Q CA 2.304 58.106 55.803 -0.001 0.000 0.877 218 Q CB -0.481 28.258 28.738 0.001 0.000 0.920 218 Q HN 0.750 nan 8.270 nan 0.000 0.416 219 Q N -1.163 118.647 119.800 0.015 0.000 2.084 219 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 219 Q C 2.056 178.077 176.000 0.035 0.000 0.978 219 Q CA 1.434 57.251 55.803 0.023 0.000 0.844 219 Q CB -0.280 28.470 28.738 0.020 0.000 0.898 219 Q HN 0.524 nan 8.270 nan 0.000 0.426 220 A N 0.447 123.289 122.820 0.037 0.000 1.898 220 A HA -0.105 4.215 4.320 0.000 0.000 0.216 220 A C 2.341 179.974 177.584 0.083 0.000 1.181 220 A CA 1.077 53.149 52.037 0.058 0.000 0.620 220 A CB -0.626 18.408 19.000 0.055 0.000 0.819 220 A HN 0.206 nan 8.150 nan 0.000 0.442 221 V N 1.089 121.030 119.914 0.045 0.000 2.453 221 V HA -0.288 3.832 4.120 0.000 0.000 0.252 221 V C 1.897 178.042 176.094 0.085 0.000 1.068 221 V CA 2.259 64.572 62.300 0.021 0.000 1.070 221 V CB -0.830 30.964 31.823 -0.048 0.000 0.664 221 V HN 0.536 nan 8.190 nan 0.000 0.461 222 D N 0.635 121.079 120.400 0.074 0.000 2.224 222 D HA -0.062 4.579 4.640 0.000 0.000 0.205 222 D C 2.139 178.505 176.300 0.109 0.000 0.965 222 D CA 1.517 55.566 54.000 0.082 0.000 0.852 222 D CB -0.110 40.721 40.800 0.052 0.000 0.947 222 D HN 0.552 nan 8.370 nan 0.000 0.494 223 G N -0.110 108.758 108.800 0.115 0.000 2.777 223 G HA2 -0.105 3.855 3.960 0.000 0.000 0.211 223 G HA3 -0.105 3.855 3.960 0.000 0.000 0.211 223 G C 0.283 175.261 174.900 0.130 0.000 1.149 223 G CA -0.571 44.587 45.100 0.097 0.000 0.785 223 G HN 0.133 nan 8.290 nan 0.000 0.536 224 W N 3.255 124.545 121.300 -0.016 0.000 2.377 224 W HA 0.281 4.941 4.660 -0.000 0.000 0.341 224 W C 0.326 176.829 176.519 -0.027 0.000 1.240 224 W CA 0.729 58.059 57.345 -0.025 0.000 1.311 224 W CB 0.603 30.042 29.460 -0.035 0.000 1.175 224 W HN 0.010 nan 8.180 nan 0.000 0.571 225 T N 3.620 117.732 114.554 -0.737 0.000 2.892 225 T HA 0.118 4.468 4.350 0.000 0.000 0.311 225 T C 0.620 174.597 174.700 -1.205 0.000 1.033 225 T CA -0.803 60.883 62.100 -0.690 0.000 0.991 225 T CB 1.609 70.250 68.868 -0.378 0.000 0.981 225 T HN 0.630 nan 8.240 nan 0.000 0.457 226 E N 2.477 121.994 120.200 -1.137 0.000 2.219 226 E HA -0.193 4.158 4.350 0.000 0.000 0.198 226 E C 1.444 177.750 176.600 -0.491 0.000 0.998 226 E CA 1.328 57.176 56.400 -0.919 0.000 0.818 226 E CB 0.101 29.682 29.700 -0.198 0.000 0.741 226 E HN 0.725 nan 8.360 nan 0.000 0.477 227 K N -0.030 120.159 120.400 -0.351 0.000 2.097 227 K HA -0.135 4.185 4.320 0.000 0.000 0.205 227 K C 1.141 177.629 176.600 -0.186 0.000 1.050 227 K CA 1.544 57.714 56.287 -0.194 0.000 0.938 227 K CB -0.067 32.357 32.500 -0.126 0.000 0.718 227 K HN 0.132 nan 8.250 nan 0.000 0.442 228 N N -0.237 118.305 118.700 -0.263 0.000 2.234 228 N HA 0.155 4.895 4.740 0.000 0.000 0.227 228 N C -0.588 174.774 175.510 -0.246 0.000 1.151 228 N CA -0.212 52.717 53.050 -0.201 0.000 0.865 228 N CB 0.857 39.246 38.487 -0.164 0.000 1.066 228 N HN 0.012 nan 8.380 nan 0.000 0.515 229 A N 1.848 124.460 122.820 -0.347 0.000 2.407 229 A HA 0.407 4.727 4.320 0.000 0.000 0.248 229 A C -2.124 175.308 177.584 -0.253 0.000 1.082 229 A CA -1.023 50.855 52.037 -0.265 0.000 0.785 229 A CB 0.112 18.989 19.000 -0.205 0.000 1.020 229 A HN 0.116 nan 8.150 nan 0.000 0.489 230 P HA 0.145 nan 4.420 nan 0.000 0.278 230 P C -1.168 175.945 177.300 -0.311 0.000 1.238 230 P CA -0.256 62.695 63.100 -0.248 0.000 0.794 230 P CB 0.525 32.061 31.700 -0.273 0.000 0.955 231 W N 1.833 123.044 121.300 -0.149 0.000 2.272 231 W HA 0.302 4.962 4.660 0.000 0.000 0.318 231 W C 0.232 176.638 176.519 -0.189 0.000 1.255 231 W CA 0.221 57.541 57.345 -0.041 0.000 1.200 231 W CB 0.242 29.816 29.460 0.191 0.000 1.170 231 W HN 0.337 nan 8.180 nan 0.000 0.549 232 Y N 1.233 121.512 120.300 -0.036 0.000 2.403 232 Y HA 0.589 5.139 4.550 0.000 0.000 0.323 232 Y C 0.077 175.907 175.900 -0.116 0.000 1.226 232 Y CA -0.985 56.955 58.100 -0.267 0.000 1.235 232 Y CB 1.148 38.991 38.460 -1.029 0.000 1.248 232 Y HN -0.048 nan 8.280 nan 0.000 0.489 233 V N 1.766 121.830 119.914 0.250 0.000 2.569 233 V HA 0.673 4.793 4.120 0.000 0.000 0.301 233 V C -0.728 175.614 176.094 0.413 0.000 1.044 233 V CA -1.094 61.371 62.300 0.275 0.000 0.874 233 V CB 1.381 33.232 31.823 0.047 0.000 1.002 233 V HN 0.845 nan 8.190 nan 0.000 0.424 234 A N 4.765 127.874 122.820 0.482 0.000 2.276 234 A HA 0.866 5.186 4.320 0.000 0.000 0.316 234 A C -0.642 177.163 177.584 0.369 0.000 1.229 234 A CA -0.495 51.796 52.037 0.423 0.000 0.851 234 A CB 1.221 20.461 19.000 0.401 0.000 1.165 234 A HN 0.704 nan 8.150 nan 0.000 0.513 235 V N 2.355 122.519 119.914 0.416 0.000 2.513 235 V HA 0.464 4.584 4.120 0.000 0.000 0.299 235 V C 0.409 176.757 176.094 0.422 0.000 1.035 235 V CA -0.433 62.047 62.300 0.301 0.000 0.889 235 V CB 1.858 33.760 31.823 0.132 0.000 0.988 235 V HN 0.920 nan 8.190 nan 0.000 0.440 236 S N 2.224 118.104 115.700 0.300 0.000 2.617 236 S HA 0.928 5.398 4.470 0.000 0.000 0.283 236 S C 0.528 175.352 174.600 0.374 0.000 1.189 236 S CA 0.344 58.720 58.200 0.293 0.000 1.036 236 S CB 1.685 65.004 63.200 0.199 0.000 1.014 236 S HN 1.324 nan 8.310 nan 0.000 0.522 237 G N 0.251 109.228 108.800 0.294 0.000 2.564 237 G HA2 0.550 4.510 3.960 0.000 0.000 0.139 237 G HA3 0.550 4.510 3.960 0.000 0.000 0.139 237 G C -0.460 174.471 174.900 0.051 0.000 1.147 237 G CA 0.077 45.355 45.100 0.296 0.000 1.031 237 G HN 1.214 nan 8.290 nan 0.000 0.482 238 G N -2.212 106.642 108.800 0.090 0.000 2.427 238 G HA2 0.633 4.593 3.960 0.000 0.000 0.306 238 G HA3 0.633 4.593 3.960 0.000 0.000 0.306 238 G C -2.101 172.790 174.900 -0.014 0.000 1.280 238 G CA 0.460 45.490 45.100 -0.117 0.000 0.837 238 G HN 1.544 nan 8.290 nan 0.000 0.482 239 V N 1.210 121.057 119.914 -0.112 0.000 2.569 239 V HA 0.387 4.507 4.120 0.000 0.000 0.301 239 V C -0.501 175.552 176.094 -0.069 0.000 1.044 239 V CA -1.035 61.226 62.300 -0.065 0.000 0.874 239 V CB 1.320 33.135 31.823 -0.012 0.000 1.002 239 V HN 0.752 nan 8.190 nan 0.000 0.424 240 H N 3.202 122.274 119.070 0.003 0.000 3.140 240 H HA 0.060 4.616 4.556 0.000 0.000 0.316 240 H C 1.498 176.842 175.328 0.027 0.000 0.986 240 H CA 2.034 58.109 56.048 0.045 0.000 1.397 240 H CB 0.663 30.453 29.762 0.047 0.000 1.377 240 H HN 1.151 nan 8.280 nan 0.000 0.585 241 G N 2.424 111.324 108.800 0.166 0.000 2.175 241 G HA2 -0.299 3.661 3.960 0.000 0.000 0.265 241 G HA3 -0.299 3.661 3.960 0.000 0.000 0.265 241 G C 0.767 175.682 174.900 0.026 0.000 0.979 241 G CA 0.706 45.863 45.100 0.096 0.000 0.663 241 G HN 0.518 nan 8.290 nan 0.000 0.533 242 V N -1.240 118.665 119.914 -0.016 0.000 3.658 242 V HA 0.763 4.883 4.120 0.000 0.000 0.197 242 V C 1.214 177.233 176.094 -0.124 0.000 1.295 242 V CA 1.419 63.687 62.300 -0.054 0.000 1.298 242 V CB 0.729 32.528 31.823 -0.040 0.000 1.347 242 V HN 1.690 nan 8.190 nan 0.000 0.548 243 G N 0.719 109.417 108.800 -0.171 0.000 2.355 243 G HA2 0.424 4.384 3.960 0.000 0.000 0.296 243 G HA3 0.424 4.384 3.960 0.000 0.000 0.296 243 G C -3.424 171.227 174.900 -0.415 0.000 1.507 243 G CA -0.578 44.341 45.100 -0.302 0.000 0.823 243 G HN 0.081 nan 8.290 nan 0.000 0.569 244 P HA 0.523 nan 4.420 nan 0.000 0.272 244 P C -0.160 176.450 177.300 -1.151 0.000 1.223 244 P CA 0.320 62.850 63.100 -0.951 0.000 0.784 244 P CB 1.833 32.705 31.700 -1.381 0.000 0.923 245 A N 1.916 124.191 122.820 -0.909 0.000 2.544 245 A HA 0.441 4.761 4.320 0.000 0.000 0.291 245 A C -1.628 175.739 177.584 -0.363 0.000 1.055 245 A CA -0.625 51.033 52.037 -0.632 0.000 0.651 245 A CB 1.049 19.708 19.000 -0.569 0.000 1.296 245 A HN 0.507 nan 8.150 nan 0.000 0.431 246 Q N 0.133 119.835 119.800 -0.164 0.000 2.333 246 Q HA 0.599 4.939 4.340 0.000 0.000 0.267 246 Q C -1.743 174.306 176.000 0.082 0.000 1.012 246 Q CA -0.296 55.563 55.803 0.094 0.000 0.824 246 Q CB 1.939 31.005 28.738 0.547 0.000 1.290 246 Q HN 0.538 nan 8.270 nan 0.000 0.449 247 F N 2.057 122.307 119.950 0.499 0.000 2.404 247 F HA 0.361 4.888 4.527 0.000 0.000 0.345 247 F C -0.157 175.929 175.800 0.477 0.000 1.110 247 F CA -0.841 57.500 58.000 0.568 0.000 1.130 247 F CB 0.623 40.068 39.000 0.742 0.000 1.129 247 F HN 0.306 nan 8.300 nan 0.000 0.500 248 L N 5.054 126.518 121.223 0.402 0.000 2.322 248 L HA 0.581 4.921 4.340 0.000 0.000 0.281 248 L C -1.505 175.418 176.870 0.088 0.000 1.014 248 L CA -0.803 54.144 54.840 0.179 0.000 0.815 248 L CB 0.660 42.653 42.059 -0.110 0.000 1.247 248 L HN 0.510 nan 8.230 nan 0.000 0.421 249 Y N 3.651 124.156 120.300 0.341 0.000 2.605 249 Y HA 0.789 5.339 4.550 0.000 0.000 0.343 249 Y C -0.310 175.786 175.900 0.326 0.000 1.036 249 Y CA -1.004 57.323 58.100 0.380 0.000 1.065 249 Y CB 1.916 40.623 38.460 0.412 0.000 1.288 249 Y HN 0.607 nan 8.280 nan 0.000 0.481 250 R N -0.111 120.660 120.500 0.452 0.000 2.710 250 R HA 0.431 4.771 4.340 0.000 0.000 0.270 250 R C -1.783 174.595 176.300 0.130 0.000 1.021 250 R CA -1.138 55.061 56.100 0.165 0.000 0.889 250 R CB 1.284 31.383 30.300 -0.336 0.000 1.243 250 R HN 0.673 nan 8.270 nan 0.000 0.464 251 Q N 1.605 121.317 119.800 -0.146 0.000 2.310 251 Q HA -0.092 4.248 4.340 0.000 0.000 0.315 251 Q C -0.367 175.459 176.000 -0.290 0.000 1.081 251 Q CA 0.429 55.910 55.803 -0.536 0.000 0.981 251 Q CB 0.240 28.627 28.738 -0.586 0.000 1.184 251 Q HN 0.454 nan 8.270 nan 0.000 0.389 252 N N 1.000 119.538 118.700 -0.271 0.000 2.359 252 N HA -0.009 4.731 4.740 0.000 0.000 0.261 252 N C 0.677 176.117 175.510 -0.116 0.000 1.267 252 N CA 1.559 54.544 53.050 -0.108 0.000 0.864 252 N CB 0.199 38.658 38.487 -0.047 0.000 1.063 252 N HN 0.760 nan 8.380 nan 0.000 0.474 253 G N 2.439 111.198 108.800 -0.067 0.000 2.187 253 G HA2 -0.212 3.748 3.960 0.000 0.000 0.261 253 G HA3 -0.212 3.748 3.960 0.000 0.000 0.261 253 G C 0.880 175.730 174.900 -0.084 0.000 1.000 253 G CA 0.655 45.718 45.100 -0.062 0.000 0.718 253 G HN 1.686 nan 8.290 nan 0.000 0.519 254 G N -0.998 107.730 108.800 -0.119 0.000 2.203 254 G HA2 -0.332 3.628 3.960 0.000 0.000 0.263 254 G HA3 -0.332 3.628 3.960 0.000 0.000 0.263 254 G C 0.207 175.012 174.900 -0.158 0.000 1.012 254 G CA 0.821 45.837 45.100 -0.141 0.000 0.749 254 G HN 1.486 nan 8.290 nan 0.000 0.512 255 N N 0.561 119.146 118.700 -0.191 0.000 2.406 255 N HA 0.512 5.252 4.740 0.000 0.000 0.251 255 N C 1.412 176.751 175.510 -0.284 0.000 1.069 255 N CA 0.449 53.376 53.050 -0.205 0.000 0.947 255 N CB 0.910 39.278 38.487 -0.198 0.000 1.111 255 N HN 0.437 nan 8.380 nan 0.000 0.497 256 A N 2.752 125.436 122.820 -0.225 0.000 2.225 256 A HA -0.047 4.273 4.320 0.000 0.000 0.215 256 A C 1.445 178.826 177.584 -0.338 0.000 1.164 256 A CA 0.994 52.904 52.037 -0.213 0.000 0.710 256 A CB 0.006 18.935 19.000 -0.117 0.000 0.780 256 A HN 0.608 nan 8.150 nan 0.000 0.473 257 S N -0.808 114.667 115.700 -0.376 0.000 2.554 257 S HA 0.149 4.619 4.470 0.000 0.000 0.226 257 S C 0.220 174.448 174.600 -0.619 0.000 0.980 257 S CA -0.247 57.705 58.200 -0.413 0.000 0.939 257 S CB 0.168 63.282 63.200 -0.143 0.000 0.832 257 S HN 0.590 nan 8.310 nan 0.000 0.486 258 E N 0.808 120.567 120.200 -0.736 0.000 2.081 258 E HA 0.352 4.702 4.350 0.000 0.000 0.281 258 E C -0.471 175.558 176.600 -0.953 0.000 0.986 258 E CA -0.291 55.735 56.400 -0.623 0.000 0.796 258 E CB 0.067 29.499 29.700 -0.447 0.000 1.085 258 E HN 0.159 nan 8.360 nan 0.000 0.398 259 F N 2.661 122.429 119.950 -0.303 0.000 2.682 259 F HA 0.213 4.740 4.527 0.000 0.000 0.308 259 F C 1.720 177.432 175.800 -0.146 0.000 1.093 259 F CA -0.245 57.607 58.000 -0.246 0.000 1.244 259 F CB 0.385 39.361 39.000 -0.040 0.000 1.052 259 F HN 0.446 nan 8.300 nan 0.000 0.573 260 Q N -0.111 119.578 119.800 -0.185 0.000 2.134 260 Q HA 0.067 4.407 4.340 0.000 0.000 0.195 260 Q C -0.503 175.229 176.000 -0.447 0.000 0.958 260 Q CA 1.404 57.000 55.803 -0.345 0.000 0.840 260 Q CB 0.046 28.399 28.738 -0.642 0.000 0.918 260 Q HN 0.299 nan 8.270 nan 0.000 0.467 261 Y N -0.939 119.267 120.300 -0.158 0.000 2.341 261 Y HA 0.429 4.979 4.550 0.000 0.000 0.337 261 Y C -1.164 174.542 175.900 -0.323 0.000 1.014 261 Y CA -1.058 56.992 58.100 -0.084 0.000 1.111 261 Y CB 0.897 39.330 38.460 -0.046 0.000 1.194 261 Y HN 0.014 nan 8.280 nan 0.000 0.462 262 W N 2.957 124.406 121.300 0.247 0.000 2.475 262 W HA 0.411 5.071 4.660 0.000 0.000 0.320 262 W C -0.437 176.290 176.519 0.347 0.000 1.022 262 W CA -1.150 56.338 57.345 0.239 0.000 1.240 262 W CB 0.967 30.546 29.460 0.198 0.000 1.328 262 W HN 0.485 nan 8.180 nan 0.000 0.439 263 E N 2.342 122.780 120.200 0.396 0.000 2.316 263 E HA 0.059 4.409 4.350 0.000 0.000 0.275 263 E C -0.946 175.889 176.600 0.391 0.000 1.029 263 E CA -0.716 55.886 56.400 0.336 0.000 0.871 263 E CB 1.020 30.819 29.700 0.166 0.000 1.022 263 E HN 0.434 nan 8.360 nan 0.000 0.418 264 Y N 4.671 125.072 120.300 0.168 0.000 2.480 264 Y HA 0.109 4.659 4.550 0.000 0.000 0.341 264 Y C 0.230 176.092 175.900 -0.063 0.000 1.031 264 Y CA -0.611 57.390 58.100 -0.166 0.000 1.295 264 Y CB 0.557 38.951 38.460 -0.110 0.000 1.162 264 Y HN 0.660 nan 8.280 nan 0.000 0.523 265 L N 5.690 126.678 121.223 -0.392 0.000 2.567 265 L HA 0.305 4.645 4.340 0.000 0.000 0.225 265 L C 1.201 177.775 176.870 -0.492 0.000 1.119 265 L CA 0.514 55.185 54.840 -0.282 0.000 0.871 265 L CB -0.712 41.327 42.059 -0.033 0.000 1.036 265 L HN 0.989 nan 8.230 nan 0.000 0.459 266 G N 0.672 108.736 108.800 -1.228 0.000 2.566 266 G HA2 -0.180 3.780 3.960 0.000 0.000 0.599 266 G HA3 -0.180 3.780 3.960 0.000 0.000 0.599 266 G C -0.582 174.248 174.900 -0.117 0.000 1.292 266 G CA -0.839 43.746 45.100 -0.858 0.000 0.922 266 G HN 0.194 nan 8.290 nan 0.000 0.514 267 E N 1.403 121.692 120.200 0.149 0.000 1.802 267 E HA 0.118 4.468 4.350 0.000 0.000 0.265 267 E C 1.367 178.137 176.600 0.283 0.000 1.168 267 E CA -0.276 56.262 56.400 0.229 0.000 1.033 267 E CB -0.017 29.758 29.700 0.125 0.000 1.095 267 E HN 0.572 nan 8.360 nan 0.000 0.436 268 W N 3.169 124.527 121.300 0.097 0.000 2.424 268 W HA -0.126 4.534 4.660 0.000 0.000 0.264 268 W C -0.412 176.265 176.519 0.263 0.000 1.229 268 W CA 0.224 57.655 57.345 0.143 0.000 1.208 268 W CB -0.356 29.199 29.460 0.159 0.000 1.127 268 W HN 0.395 nan 8.180 nan 0.000 0.588 269 W N 3.340 124.541 121.300 -0.165 0.000 3.326 269 W HA 0.402 5.062 4.660 0.000 0.000 0.333 269 W C -1.434 174.985 176.519 -0.167 0.000 1.108 269 W CA -1.810 55.351 57.345 -0.306 0.000 1.245 269 W CB 0.124 29.270 29.460 -0.524 0.000 1.331 269 W HN 0.121 nan 8.180 nan 0.000 0.464 270 Q N 3.705 123.405 119.800 -0.166 0.000 2.418 270 Q HA 0.738 5.078 4.340 0.000 0.000 0.282 270 Q C -1.287 174.445 176.000 -0.446 0.000 1.044 270 Q CA -0.908 54.632 55.803 -0.438 0.000 0.813 270 Q CB 3.350 31.934 28.738 -0.257 0.000 1.428 270 Q HN 0.291 nan 8.270 nan 0.000 0.402 271 E N 0.483 120.324 120.200 -0.597 0.000 2.393 271 E HA 0.605 4.955 4.350 0.000 0.000 0.273 271 E C -1.114 175.288 176.600 -0.330 0.000 0.918 271 E CA -0.813 55.329 56.400 -0.429 0.000 0.773 271 E CB 2.251 31.579 29.700 -0.619 0.000 1.275 271 E HN 0.794 nan 8.360 nan 0.000 0.451 272 A N 1.102 123.817 122.820 -0.175 0.000 2.462 272 A HA 0.283 4.603 4.320 0.000 0.000 0.243 272 A C 0.199 177.650 177.584 -0.221 0.000 1.076 272 A CA -0.025 51.915 52.037 -0.161 0.000 0.773 272 A CB -0.271 18.675 19.000 -0.090 0.000 1.010 272 A HN 0.479 nan 8.150 nan 0.000 0.493 273 T N 2.695 117.093 114.554 -0.260 0.000 2.891 273 T HA -0.002 4.348 4.350 0.000 0.000 0.296 273 T C 1.049 175.472 174.700 -0.462 0.000 1.025 273 T CA 1.300 63.162 62.100 -0.396 0.000 1.149 273 T CB -0.251 68.439 68.868 -0.297 0.000 1.007 273 T HN 0.947 nan 8.240 nan 0.000 0.528 274 N N 1.273 119.536 118.700 -0.728 0.000 2.701 274 N HA -0.211 4.529 4.740 0.000 0.000 0.250 274 N C 0.286 175.628 175.510 -0.281 0.000 1.046 274 N CA 0.891 53.556 53.050 -0.642 0.000 0.733 274 N CB -0.905 37.085 38.487 -0.828 0.000 0.973 274 N HN 0.819 nan 8.380 nan 0.000 0.541 275 S N -1.854 113.762 115.700 -0.140 0.000 2.666 275 S HA 0.828 5.298 4.470 0.000 0.000 0.279 275 S C 0.231 174.819 174.600 -0.019 0.000 1.149 275 S CA 0.127 58.320 58.200 -0.011 0.000 1.020 275 S CB 1.932 65.195 63.200 0.104 0.000 1.127 275 S HN 0.914 nan 8.310 nan 0.000 0.537 276 S N -1.245 114.430 115.700 -0.042 0.000 2.565 276 S HA 0.328 4.798 4.470 0.000 0.000 0.274 276 S C -1.294 173.180 174.600 -0.209 0.000 1.144 276 S CA -0.961 56.992 58.200 -0.412 0.000 0.849 276 S CB 0.217 63.224 63.200 -0.323 0.000 1.103 276 S HN 0.969 nan 8.310 nan 0.000 0.455 277 W N 2.998 123.913 121.300 -0.642 0.000 2.322 277 W HA 0.417 5.077 4.660 0.000 0.000 0.328 277 W C 0.664 177.097 176.519 -0.144 0.000 1.395 277 W CA 1.955 59.156 57.345 -0.241 0.000 1.267 277 W CB -0.154 29.093 29.460 -0.355 0.000 1.259 277 W HN 1.695 nan 8.180 nan 0.000 0.560 278 G N 4.769 113.158 108.800 -0.685 0.000 2.787 278 G HA2 -0.283 3.677 3.960 0.000 0.000 0.685 278 G HA3 -0.283 3.677 3.960 0.000 0.000 0.685 278 G C 0.347 175.104 174.900 -0.239 0.000 1.437 278 G CA -0.173 44.632 45.100 -0.492 0.000 0.872 278 G HN 0.590 nan 8.290 nan 0.000 0.566 279 D N 0.581 120.877 120.400 -0.173 0.000 2.084 279 D HA -0.053 4.587 4.640 0.000 0.000 0.196 279 D C 2.078 178.333 176.300 -0.076 0.000 0.985 279 D CA 1.686 55.621 54.000 -0.108 0.000 0.826 279 D CB 0.112 40.862 40.800 -0.083 0.000 0.978 279 D HN 0.721 nan 8.370 nan 0.000 0.456 280 E N 0.000 120.167 120.200 -0.055 0.000 2.489 280 E HA 0.206 4.556 4.350 0.000 0.000 0.193 280 E C 0.592 177.169 176.600 -0.038 0.000 1.057 280 E CA -0.060 56.318 56.400 -0.038 0.000 0.866 280 E CB 0.315 30.002 29.700 -0.021 0.000 0.916 280 E HN 0.208 nan 8.360 nan 0.000 0.500 281 G N 1.824 110.595 108.800 -0.050 0.000 2.372 281 G HA2 -0.307 3.653 3.960 0.000 0.000 0.297 281 G HA3 -0.307 3.653 3.960 0.000 0.000 0.297 281 G C 0.624 175.529 174.900 0.008 0.000 1.005 281 G CA 0.740 45.814 45.100 -0.044 0.000 1.173 281 G HN 0.260 nan 8.290 nan 0.000 0.511 282 T N -1.512 113.059 114.554 0.027 0.000 3.033 282 T HA 0.092 4.442 4.350 0.000 0.000 0.248 282 T C 1.813 176.449 174.700 -0.108 0.000 1.040 282 T CA 1.489 63.527 62.100 -0.103 0.000 1.133 282 T CB 0.010 68.731 68.868 -0.245 0.000 0.895 282 T HN 0.559 nan 8.240 nan 0.000 0.465 283 W N 1.210 122.672 121.300 0.270 0.000 2.907 283 W HA 0.612 5.272 4.660 0.000 0.000 0.271 283 W C 1.409 178.142 176.519 0.356 0.000 1.253 283 W CA -0.173 57.422 57.345 0.416 0.000 1.501 283 W CB 0.572 30.208 29.460 0.293 0.000 1.047 283 W HN 0.097 nan 8.180 nan 0.000 0.610 284 A N 0.053 123.046 122.820 0.288 0.000 2.806 284 A HA 0.636 4.957 4.320 0.000 0.000 0.266 284 A C 0.994 178.355 177.584 -0.371 0.000 0.926 284 A CA 0.204 52.115 52.037 -0.209 0.000 1.068 284 A CB -0.833 17.905 19.000 -0.437 0.000 1.189 284 A HN 0.308 nan 8.150 nan 0.000 0.481 285 G N 1.134 109.976 108.800 0.070 0.000 2.602 285 G HA2 -0.279 3.681 3.960 0.000 0.000 0.317 285 G HA3 -0.279 3.681 3.960 0.000 0.000 0.317 285 G C 0.073 174.820 174.900 -0.255 0.000 1.327 285 G CA 0.682 45.776 45.100 -0.010 0.000 0.971 285 G HN 0.889 nan 8.290 nan 0.000 0.540 286 R N -1.572 118.759 120.500 -0.283 0.000 2.854 286 R HA 0.435 4.775 4.340 0.000 0.000 0.271 286 R C 0.513 176.648 176.300 -0.276 0.000 0.994 286 R CA -0.656 55.237 56.100 -0.344 0.000 0.945 286 R CB 1.291 31.482 30.300 -0.181 0.000 1.194 286 R HN 0.594 nan 8.270 nan 0.000 0.476 287 W N 1.060 122.328 121.300 -0.053 0.000 2.699 287 W HA 0.046 4.706 4.660 0.000 0.000 0.249 287 W C 1.328 177.785 176.519 -0.105 0.000 1.280 287 W CA 0.539 57.902 57.345 0.029 0.000 1.345 287 W CB 0.031 29.487 29.460 -0.006 0.000 1.128 287 W HN 1.018 nan 8.180 nan 0.000 0.642 288 G N 1.035 109.791 108.800 -0.073 0.000 2.578 288 G HA2 -0.371 3.589 3.960 0.000 0.000 0.275 288 G HA3 -0.371 3.589 3.960 0.000 0.000 0.275 288 G C -0.036 174.481 174.900 -0.638 0.000 1.271 288 G CA 0.586 45.508 45.100 -0.296 0.000 0.941 288 G HN 0.228 nan 8.290 nan 0.000 0.564 289 F N 0.761 120.326 119.950 -0.642 0.000 2.717 289 F HA 0.393 4.920 4.527 0.000 0.000 0.295 289 F C 1.163 176.509 175.800 -0.758 0.000 1.117 289 F CA 0.689 58.158 58.000 -0.886 0.000 1.361 289 F CB 0.514 38.422 39.000 -1.820 0.000 1.112 289 F HN 0.521 nan 8.300 nan 0.000 0.594 290 N N -1.022 117.409 118.700 -0.449 0.000 2.431 290 N HA 0.262 5.002 4.740 0.000 0.000 0.275 290 N C -1.685 173.837 175.510 0.022 0.000 1.091 290 N CA -0.422 52.486 53.050 -0.237 0.000 0.922 290 N CB 1.062 39.484 38.487 -0.108 0.000 1.666 290 N HN -0.298 nan 8.380 nan 0.000 0.484 291 F N 1.384 121.253 119.950 -0.134 0.000 2.385 291 F HA 0.492 5.019 4.527 0.000 0.000 0.336 291 F C 0.658 176.445 175.800 -0.022 0.000 1.100 291 F CA -0.431 57.493 58.000 -0.127 0.000 1.116 291 F CB 1.038 39.887 39.000 -0.251 0.000 1.166 291 F HN 0.381 nan 8.300 nan 0.000 0.511 292 E N -0.360 119.929 120.200 0.147 0.000 2.369 292 E HA 0.270 4.620 4.350 0.000 0.000 0.270 292 E C -0.444 176.137 176.600 -0.031 0.000 0.909 292 E CA -0.772 55.682 56.400 0.090 0.000 0.775 292 E CB 1.988 31.770 29.700 0.136 0.000 1.270 292 E HN 0.632 nan 8.360 nan 0.000 0.445 293 T N -1.054 113.503 114.554 0.006 0.000 3.479 293 T HA -0.214 4.136 4.350 0.000 0.000 0.396 293 T C 0.472 175.138 174.700 -0.057 0.000 0.768 293 T CA 0.294 62.392 62.100 -0.004 0.000 1.954 293 T CB -2.073 66.774 68.868 -0.035 0.000 1.731 293 T HN 0.703 nan 8.240 nan 0.000 0.661 294 G N 0.936 109.716 108.800 -0.033 0.000 2.484 294 G HA2 0.451 4.411 3.960 0.000 0.000 0.235 294 G HA3 0.451 4.411 3.960 0.000 0.000 0.235 294 G C -0.087 174.637 174.900 -0.293 0.000 1.282 294 G CA -0.574 44.464 45.100 -0.104 0.000 0.857 294 G HN 0.687 nan 8.290 nan 0.000 0.571 295 N N -0.739 117.664 118.700 -0.495 0.000 2.249 295 N HA 0.470 5.210 4.740 0.000 0.000 0.296 295 N C -0.905 174.196 175.510 -0.683 0.000 1.051 295 N CA -0.496 51.883 53.050 -1.119 0.000 0.815 295 N CB 2.425 40.438 38.487 -0.790 0.000 1.487 295 N HN 0.252 nan 8.380 nan 0.000 0.475 296 V N 2.696 122.240 119.914 -0.616 0.000 2.357 296 V HA 0.522 4.642 4.120 0.000 0.000 0.284 296 V C -0.583 175.201 176.094 -0.517 0.000 1.018 296 V CA -0.687 61.240 62.300 -0.622 0.000 0.841 296 V CB 0.799 31.915 31.823 -1.178 0.000 0.991 296 V HN 0.396 nan 8.190 nan 0.000 0.437 297 L N 4.774 125.600 121.223 -0.663 0.000 2.322 297 L HA 0.702 5.042 4.340 0.000 0.000 0.269 297 L C -0.747 175.633 176.870 -0.817 0.000 1.012 297 L CA -0.439 54.044 54.840 -0.594 0.000 0.815 297 L CB 1.435 43.077 42.059 -0.695 0.000 1.295 297 L HN 0.418 nan 8.230 nan 0.000 0.438 298 F N 2.224 122.029 119.950 -0.242 0.000 2.577 298 F HA 0.543 5.070 4.527 0.000 0.000 0.344 298 F C -0.546 175.047 175.800 -0.345 0.000 1.145 298 F CA -0.580 57.254 58.000 -0.277 0.000 0.996 298 F CB 1.210 39.998 39.000 -0.353 0.000 1.248 298 F HN 0.058 nan 8.300 nan 0.000 0.447 299 L N 1.893 123.103 121.223 -0.022 0.000 2.376 299 L HA 0.820 5.160 4.340 0.000 0.000 0.267 299 L C 0.495 177.371 176.870 0.010 0.000 1.035 299 L CA -0.598 54.200 54.840 -0.071 0.000 0.800 299 L CB 1.737 43.624 42.059 -0.287 0.000 1.290 299 L HN 0.702 nan 8.230 nan 0.000 0.462 300 T N -4.116 110.435 114.554 -0.004 0.000 2.754 300 T HA 0.384 4.734 4.350 0.000 0.000 0.296 300 T C 0.272 174.973 174.700 0.002 0.000 1.205 300 T CA -0.634 61.477 62.100 0.019 0.000 1.009 300 T CB 1.004 69.888 68.868 0.028 0.000 1.368 300 T HN 0.465 nan 8.240 nan 0.000 0.509 301 E N -0.067 120.141 120.200 0.014 0.000 2.512 301 E HA 0.071 4.421 4.350 0.000 0.000 0.195 301 E C 0.380 176.981 176.600 0.003 0.000 1.083 301 E CA 0.481 56.884 56.400 0.006 0.000 0.873 301 E CB 0.107 29.816 29.700 0.015 0.000 0.897 301 E HN 0.583 nan 8.360 nan 0.000 0.514 302 E N -1.418 118.788 120.200 0.009 0.000 2.568 302 E HA 0.215 4.565 4.350 0.000 0.000 0.220 302 E C 0.517 177.131 176.600 0.022 0.000 0.869 302 E CA 0.334 56.742 56.400 0.013 0.000 1.268 302 E CB 1.673 31.385 29.700 0.021 0.000 1.252 302 E HN 0.171 nan 8.360 nan 0.000 0.606 303 G N -0.623 108.199 108.800 0.036 0.000 2.586 303 G HA2 0.047 4.007 3.960 0.000 0.000 0.105 303 G HA3 0.047 4.007 3.960 0.000 0.000 0.105 303 G C -1.607 173.373 174.900 0.134 0.000 1.129 303 G CA -0.677 44.471 45.100 0.079 0.000 1.127 303 G HN 0.086 nan 8.290 nan 0.000 0.532 304 H N 1.297 120.427 119.070 0.101 0.000 2.505 304 H HA 0.634 5.190 4.556 0.000 0.000 0.338 304 H C -1.890 173.537 175.328 0.164 0.000 1.057 304 H CA -0.197 55.945 56.048 0.156 0.000 1.202 304 H CB 2.062 31.975 29.762 0.252 0.000 1.466 304 H HN 0.433 nan 8.280 nan 0.000 0.499 305 D N 7.416 127.759 120.400 -0.095 0.000 2.375 305 D HA 0.126 4.766 4.640 0.000 0.000 0.241 305 D C -2.134 174.089 176.300 -0.129 0.000 1.361 305 D CA -1.546 52.459 54.000 0.009 0.000 0.995 305 D CB 2.467 43.290 40.800 0.039 0.000 1.312 305 D HN 0.314 nan 8.370 nan 0.000 0.576 306 P HA -0.136 nan 4.420 nan 0.000 0.231 306 P C 0.950 177.820 177.300 -0.717 0.000 1.158 306 P CA 0.837 63.644 63.100 -0.490 0.000 0.763 306 P CB 0.675 32.264 31.700 -0.184 0.000 0.805 307 Q N 0.484 120.059 119.800 -0.374 0.000 2.287 307 Q HA -0.018 4.322 4.340 0.000 0.000 0.201 307 Q C 1.804 177.676 176.000 -0.213 0.000 0.946 307 Q CA 1.573 57.152 55.803 -0.372 0.000 0.868 307 Q CB 0.036 28.756 28.738 -0.030 0.000 0.967 307 Q HN 0.204 nan 8.270 nan 0.000 0.516 308 T N -2.890 111.606 114.554 -0.096 0.000 3.001 308 T HA 0.325 4.675 4.350 0.000 0.000 0.251 308 T C 0.878 175.576 174.700 -0.003 0.000 1.040 308 T CA 0.140 62.217 62.100 -0.038 0.000 0.985 308 T CB 0.412 69.281 68.868 0.001 0.000 1.011 308 T HN 0.250 nan 8.240 nan 0.000 0.509 309 G N 0.962 109.768 108.800 0.009 0.000 2.594 309 G HA2 0.371 4.331 3.960 0.000 0.000 0.243 309 G HA3 0.371 4.331 3.960 0.000 0.000 0.243 309 G C -0.549 174.444 174.900 0.154 0.000 1.229 309 G CA -0.539 44.607 45.100 0.077 0.000 0.843 309 G HN 0.521 nan 8.290 nan 0.000 0.578 310 E N -0.245 120.057 120.200 0.169 0.000 2.343 310 E HA 0.274 4.624 4.350 0.000 0.000 0.269 310 E C -0.181 176.519 176.600 0.166 0.000 1.047 310 E CA -0.651 55.845 56.400 0.160 0.000 0.874 310 E CB 1.046 30.851 29.700 0.175 0.000 1.033 310 E HN 0.135 nan 8.360 nan 0.000 0.409 311 V N 4.962 124.884 119.914 0.012 0.000 2.508 311 V HA 0.155 4.275 4.120 0.000 0.000 0.281 311 V C -0.357 175.565 176.094 -0.287 0.000 1.041 311 V CA 0.476 62.662 62.300 -0.191 0.000 1.016 311 V CB -0.291 31.463 31.823 -0.115 0.000 0.984 311 V HN 0.496 nan 8.190 nan 0.000 0.478 312 F N 3.171 122.850 119.950 -0.452 0.000 2.576 312 F HA 0.739 5.266 4.527 0.000 0.000 0.313 312 F C -0.215 175.283 175.800 -0.504 0.000 1.078 312 F CA -0.749 57.043 58.000 -0.347 0.000 0.921 312 F CB 2.397 41.221 39.000 -0.293 0.000 1.232 312 F HN 0.157 nan 8.300 nan 0.000 0.459 313 V N 1.330 121.106 119.914 -0.231 0.000 2.686 313 V HA 0.537 4.658 4.120 0.000 0.000 0.306 313 V C -0.641 175.396 176.094 -0.094 0.000 1.065 313 V CA -0.809 61.297 62.300 -0.323 0.000 0.894 313 V CB 2.297 33.773 31.823 -0.578 0.000 1.004 313 V HN 0.819 nan 8.190 nan 0.000 0.424 314 T N 3.660 118.143 114.554 -0.118 0.000 2.888 314 T HA 0.936 5.286 4.350 0.000 0.000 0.284 314 T C -0.706 173.926 174.700 -0.114 0.000 1.017 314 T CA -0.634 61.447 62.100 -0.031 0.000 1.022 314 T CB 1.761 70.625 68.868 -0.006 0.000 1.013 314 T HN 0.974 nan 8.240 nan 0.000 0.465 315 L N -1.009 120.139 121.223 -0.125 0.000 2.775 315 L HA 0.935 5.275 4.340 0.000 0.000 0.263 315 L C -0.502 176.226 176.870 -0.235 0.000 1.017 315 L CA -1.353 53.359 54.840 -0.214 0.000 0.891 315 L CB 1.364 43.214 42.059 -0.349 0.000 1.482 315 L HN 0.918 nan 8.230 nan 0.000 0.410 316 G N -0.078 108.544 108.800 -0.296 0.000 2.400 316 G HA2 0.672 4.632 3.960 0.000 0.000 0.333 316 G HA3 0.672 4.632 3.960 0.000 0.000 0.333 316 G C -0.687 174.225 174.900 0.020 0.000 1.143 316 G CA -0.114 44.786 45.100 -0.333 0.000 0.914 316 G HN 0.927 nan 8.290 nan 0.000 0.480 317 T N -0.969 113.725 114.554 0.233 0.000 2.861 317 T HA 0.593 4.943 4.350 0.000 0.000 0.287 317 T C -0.627 174.162 174.700 0.148 0.000 1.003 317 T CA -0.831 61.399 62.100 0.216 0.000 0.977 317 T CB 2.323 71.303 68.868 0.188 0.000 0.996 317 T HN 0.446 nan 8.240 nan 0.000 0.448 318 E N 1.696 121.917 120.200 0.034 0.000 2.115 318 E HA 0.524 4.874 4.350 0.000 0.000 0.282 318 E C 0.277 176.810 176.600 -0.112 0.000 0.987 318 E CA -0.974 55.349 56.400 -0.129 0.000 0.797 318 E CB 1.477 31.152 29.700 -0.042 0.000 1.086 318 E HN 0.847 nan 8.360 nan 0.000 0.397 319 G N 1.203 109.959 108.800 -0.073 0.000 2.552 319 G HA2 0.526 4.487 3.960 0.000 0.000 0.324 319 G HA3 0.526 4.487 3.960 0.000 0.000 0.324 319 G C -0.796 174.194 174.900 0.150 0.000 1.217 319 G CA -0.461 44.694 45.100 0.091 0.000 0.989 319 G HN 0.354 nan 8.290 nan 0.000 0.490 320 S N -1.603 114.243 115.700 0.244 0.000 2.542 320 S HA 0.649 5.119 4.470 0.000 0.000 0.276 320 S C 0.198 174.906 174.600 0.179 0.000 1.148 320 S CA 0.115 58.408 58.200 0.155 0.000 0.886 320 S CB 1.007 64.243 63.200 0.060 0.000 1.109 320 S HN 1.280 nan 8.310 nan 0.000 0.458 321 G N 1.826 110.695 108.800 0.116 0.000 2.509 321 G HA2 0.711 4.671 3.960 0.000 0.000 0.269 321 G HA3 0.711 4.671 3.960 0.000 0.000 0.269 321 G C -1.166 173.790 174.900 0.094 0.000 1.416 321 G CA -0.657 44.507 45.100 0.106 0.000 1.052 321 G HN 0.749 nan 8.290 nan 0.000 0.542 322 L N 1.008 122.277 121.223 0.077 0.000 2.401 322 L HA 0.393 4.733 4.340 0.000 0.000 0.266 322 L C -1.567 175.328 176.870 0.042 0.000 0.991 322 L CA -1.494 53.385 54.840 0.064 0.000 0.818 322 L CB 2.269 44.376 42.059 0.080 0.000 1.321 322 L HN 0.511 nan 8.230 nan 0.000 0.413 323 P HA 0.278 nan 4.420 nan 0.000 0.271 323 P C -0.759 176.552 177.300 0.019 0.000 1.244 323 P CA -0.334 62.782 63.100 0.028 0.000 0.793 323 P CB 0.962 32.671 31.700 0.015 0.000 0.984 324 I N 0.091 120.665 120.570 0.008 0.000 2.428 324 I HA 0.116 4.286 4.170 0.000 0.000 0.289 324 I C 0.064 176.145 176.117 -0.060 0.000 1.019 324 I CA -0.975 60.310 61.300 -0.024 0.000 1.351 324 I CB 1.481 39.459 38.000 -0.036 0.000 1.412 324 I HN 0.020 nan 8.210 nan 0.000 0.513 325 V N 8.131 127.996 119.914 -0.083 0.000 2.334 325 V HA 0.200 4.320 4.120 0.000 0.000 0.267 325 V C -2.142 173.833 176.094 -0.198 0.000 1.040 325 V CA -1.856 60.382 62.300 -0.104 0.000 0.866 325 V CB 0.541 32.321 31.823 -0.071 0.000 1.019 325 V HN 0.602 nan 8.190 nan 0.000 0.468 326 P HA -0.027 nan 4.420 nan 0.000 0.257 326 P C 0.399 177.481 177.300 -0.363 0.000 1.162 326 P CA 0.694 63.641 63.100 -0.255 0.000 0.762 326 P CB 0.025 31.632 31.700 -0.156 0.000 0.753 327 Q N -1.421 117.992 119.800 -0.644 0.000 2.489 327 Q HA -0.150 4.190 4.340 0.000 0.000 0.259 327 Q C -0.725 174.731 176.000 -0.905 0.000 0.934 327 Q CA 0.354 55.560 55.803 -0.996 0.000 1.131 327 Q CB -1.891 26.586 28.738 -0.435 0.000 1.472 327 Q HN 0.270 nan 8.270 nan 0.000 0.560 328 V N 0.694 120.202 119.914 -0.677 0.000 2.531 328 V HA 0.417 4.537 4.120 0.000 0.000 0.301 328 V C 0.023 176.096 176.094 -0.036 0.000 1.034 328 V CA -0.486 61.665 62.300 -0.249 0.000 0.865 328 V CB 2.183 33.937 31.823 -0.115 0.000 0.995 328 V HN 0.073 nan 8.190 nan 0.000 0.424 329 S N 2.090 117.886 115.700 0.159 0.000 2.520 329 S HA 0.178 4.648 4.470 0.000 0.000 0.324 329 S C 1.183 175.819 174.600 0.059 0.000 1.069 329 S CA -0.079 58.229 58.200 0.181 0.000 1.121 329 S CB 1.401 64.596 63.200 -0.008 0.000 0.971 329 S HN 1.009 nan 8.310 nan 0.000 0.463 330 S N 2.914 118.661 115.700 0.078 0.000 2.402 330 S HA 0.044 4.515 4.470 0.000 0.000 0.229 330 S C 0.619 175.241 174.600 0.037 0.000 1.021 330 S CA 0.660 58.917 58.200 0.095 0.000 0.974 330 S CB -0.243 63.013 63.200 0.094 0.000 0.800 330 S HN 0.555 nan 8.310 nan 0.000 0.484 331 I N 2.006 122.512 120.570 -0.107 0.000 2.465 331 I HA 0.420 4.590 4.170 0.000 0.000 0.291 331 I C -1.241 174.590 176.117 -0.476 0.000 1.014 331 I CA -0.784 60.400 61.300 -0.194 0.000 1.093 331 I CB 1.305 39.268 38.000 -0.063 0.000 1.267 331 I HN 0.153 nan 8.210 nan 0.000 0.431 332 H N 3.299 122.043 119.070 -0.542 0.000 2.791 332 H HA 0.382 4.939 4.556 0.000 0.000 0.272 332 H C -1.028 174.196 175.328 -0.172 0.000 1.188 332 H CA -0.557 55.054 56.048 -0.728 0.000 1.436 332 H CB 0.660 29.369 29.762 -1.755 0.000 1.467 332 H HN 0.321 nan 8.280 nan 0.000 0.500 333 D N 2.403 122.892 120.400 0.148 0.000 2.264 333 D HA 0.104 4.744 4.640 0.000 0.000 0.250 333 D C 0.070 176.489 176.300 0.198 0.000 1.113 333 D CA -0.552 53.562 54.000 0.190 0.000 0.871 333 D CB 1.303 42.084 40.800 -0.031 0.000 1.167 333 D HN 0.311 nan 8.370 nan 0.000 0.447 334 M N 4.126 123.831 119.600 0.175 0.000 2.365 334 M HA 0.284 4.764 4.480 0.000 0.000 0.350 334 M C -1.525 174.689 176.300 -0.144 0.000 1.274 334 M CA -0.229 55.117 55.300 0.077 0.000 1.252 334 M CB -0.355 32.360 32.600 0.192 0.000 1.297 334 M HN 0.228 nan 8.290 nan 0.000 0.438 335 L N 3.901 124.966 121.223 -0.264 0.000 2.335 335 L HA 0.770 5.110 4.340 0.000 0.000 0.268 335 L C -0.644 176.188 176.870 -0.064 0.000 1.016 335 L CA -0.875 53.740 54.840 -0.375 0.000 0.805 335 L CB 1.492 43.262 42.059 -0.482 0.000 1.311 335 L HN 0.721 nan 8.230 nan 0.000 0.456 336 W N 0.044 121.252 121.300 -0.154 0.000 3.217 336 W HA 0.845 5.505 4.660 0.000 0.000 0.323 336 W C -1.833 174.651 176.519 -0.059 0.000 1.216 336 W CA -1.148 56.159 57.345 -0.063 0.000 1.194 336 W CB 1.496 30.961 29.460 0.009 0.000 1.397 336 W HN 0.610 nan 8.180 nan 0.000 0.537 337 A N 1.649 124.580 122.820 0.185 0.000 2.539 337 A HA 0.960 5.280 4.320 0.000 0.000 0.296 337 A C -1.596 176.005 177.584 0.028 0.000 1.073 337 A CA -0.457 51.502 52.037 -0.131 0.000 0.700 337 A CB 1.498 20.376 19.000 -0.203 0.000 1.296 337 A HN 1.516 nan 8.150 nan 0.000 0.405 338 A N -0.173 122.518 122.820 -0.216 0.000 2.515 338 A HA 1.023 5.343 4.320 0.000 0.000 0.296 338 A C 0.127 177.449 177.584 -0.437 0.000 1.094 338 A CA 0.045 51.745 52.037 -0.560 0.000 0.718 338 A CB 1.553 19.847 19.000 -1.177 0.000 1.307 338 A HN 2.655 nan 8.150 nan 0.000 0.408 339 G N -0.064 108.518 108.800 -0.364 0.000 2.441 339 G HA2 0.515 4.475 3.960 0.000 0.000 0.225 339 G HA3 0.515 4.475 3.960 0.000 0.000 0.225 339 G C -1.700 173.054 174.900 -0.243 0.000 1.200 339 G CA -0.405 44.461 45.100 -0.390 0.000 0.947 339 G HN 0.764 nan 8.290 nan 0.000 0.484 340 E N -1.420 118.609 120.200 -0.285 0.000 2.359 340 E HA 0.694 5.044 4.350 0.000 0.000 0.266 340 E C -0.909 175.628 176.600 -0.105 0.000 0.920 340 E CA -0.620 55.698 56.400 -0.138 0.000 0.788 340 E CB 2.710 32.337 29.700 -0.123 0.000 1.279 340 E HN 0.414 nan 8.360 nan 0.000 0.438 341 V N 1.236 121.154 119.914 0.007 0.000 2.448 341 V HA 0.848 4.968 4.120 0.000 0.000 0.295 341 V C 0.252 176.368 176.094 0.036 0.000 1.025 341 V CA -0.430 61.910 62.300 0.068 0.000 0.859 341 V CB 1.483 33.426 31.823 0.201 0.000 0.988 341 V HN 0.711 nan 8.190 nan 0.000 0.431 342 G N 2.226 111.040 108.800 0.023 0.000 3.015 342 G HA2 0.705 4.665 3.960 0.000 0.000 0.281 342 G HA3 0.705 4.665 3.960 0.000 0.000 0.281 342 G C -0.318 174.606 174.900 0.040 0.000 1.386 342 G CA -0.382 44.728 45.100 0.016 0.000 0.959 342 G HN 0.938 nan 8.290 nan 0.000 0.522 343 V N -1.728 118.204 119.914 0.029 0.000 3.332 343 V HA 0.497 4.617 4.120 0.000 0.000 0.305 343 V C 1.287 177.404 176.094 0.037 0.000 1.114 343 V CA 0.273 62.595 62.300 0.037 0.000 1.194 343 V CB 0.523 32.362 31.823 0.025 0.000 1.027 343 V HN 1.210 nan 8.190 nan 0.000 0.492 344 G N 1.418 110.244 108.800 0.044 0.000 3.090 344 G HA2 0.359 4.319 3.960 0.000 0.000 0.259 344 G HA3 0.359 4.319 3.960 0.000 0.000 0.259 344 G C 0.543 175.458 174.900 0.025 0.000 0.797 344 G CA 0.716 45.841 45.100 0.042 0.000 2.032 344 G HN 1.452 nan 8.290 nan 0.000 0.614 345 S N -0.241 115.467 115.700 0.014 0.000 2.865 345 S HA -0.269 4.201 4.470 0.000 0.000 0.630 345 S C 1.551 176.156 174.600 0.009 0.000 3.160 345 S CA 1.566 59.770 58.200 0.006 0.000 3.629 345 S CB -0.595 62.606 63.200 0.003 0.000 0.312 345 S HN 0.664 nan 8.310 nan 0.000 1.632 346 E N 0.303 120.507 120.200 0.007 0.000 2.372 346 E HA 0.060 4.410 4.350 0.000 0.000 0.201 346 E C 0.897 177.504 176.600 0.012 0.000 0.938 346 E CA 0.288 56.693 56.400 0.008 0.000 0.944 346 E CB 0.125 29.828 29.700 0.005 0.000 0.937 346 E HN 0.589 nan 8.360 nan 0.000 0.495 347 Q N 1.023 120.830 119.800 0.012 0.000 2.677 347 Q HA 0.042 4.382 4.340 0.000 0.000 0.187 347 Q C 0.739 176.751 176.000 0.021 0.000 1.146 347 Q CA 0.201 56.013 55.803 0.016 0.000 1.224 347 Q CB 0.172 28.919 28.738 0.015 0.000 1.268 347 Q HN -0.197 nan 8.270 nan 0.000 0.674 348 E N -0.407 119.808 120.200 0.025 0.000 2.394 348 E HA 0.191 4.541 4.350 0.000 0.000 0.191 348 E C 0.420 177.041 176.600 0.035 0.000 1.044 348 E CA 0.140 56.558 56.400 0.031 0.000 0.939 348 E CB -0.242 29.479 29.700 0.036 0.000 1.089 348 E HN 0.655 nan 8.360 nan 0.000 0.456 349 G N 0.729 109.548 108.800 0.032 0.000 2.608 349 G HA2 0.270 4.230 3.960 0.000 0.000 0.212 349 G HA3 0.270 4.230 3.960 0.000 0.000 0.212 349 G C 0.169 175.083 174.900 0.023 0.000 1.572 349 G CA 0.160 45.282 45.100 0.036 0.000 1.064 349 G HN 0.295 nan 8.290 nan 0.000 0.556 350 A N -1.049 121.789 122.820 0.030 0.000 2.466 350 A HA 0.350 4.670 4.320 0.000 0.000 0.238 350 A C 1.628 179.233 177.584 0.035 0.000 1.074 350 A CA -0.015 52.035 52.037 0.021 0.000 0.774 350 A CB 0.381 19.438 19.000 0.095 0.000 1.015 350 A HN 0.487 nan 8.150 nan 0.000 0.498 351 K N -0.036 120.379 120.400 0.024 0.000 2.147 351 K HA -0.041 4.279 4.320 0.000 0.000 0.205 351 K C 0.705 177.355 176.600 0.083 0.000 1.049 351 K CA 1.687 58.002 56.287 0.046 0.000 0.936 351 K CB -0.773 31.755 32.500 0.047 0.000 0.722 351 K HN 0.838 nan 8.250 nan 0.000 0.446 352 V N -1.754 118.238 119.914 0.130 0.000 3.007 352 V HA 0.520 4.640 4.120 0.000 0.000 0.311 352 V C -1.064 175.169 176.094 0.233 0.000 1.120 352 V CA -1.109 61.295 62.300 0.173 0.000 0.980 352 V CB 2.606 34.557 31.823 0.214 0.000 1.033 352 V HN 0.032 nan 8.190 nan 0.000 0.429 353 E N 1.888 122.190 120.200 0.169 0.000 2.272 353 E HA 0.517 4.867 4.350 0.000 0.000 0.269 353 E C -1.946 174.636 176.600 -0.029 0.000 0.877 353 E CA -0.550 55.903 56.400 0.089 0.000 0.755 353 E CB 3.130 32.834 29.700 0.007 0.000 1.192 353 E HN 0.730 nan 8.360 nan 0.000 0.422 354 F N 1.908 121.576 119.950 -0.469 0.000 2.405 354 F HA 0.391 4.918 4.527 0.000 0.000 0.355 354 F C -0.765 174.602 175.800 -0.722 0.000 1.121 354 F CA -0.477 57.053 58.000 -0.785 0.000 1.112 354 F CB 1.103 39.141 39.000 -1.605 0.000 1.126 354 F HN 0.148 nan 8.300 nan 0.000 0.481 355 S N 7.916 122.917 115.700 -1.165 0.000 2.530 355 S HA 0.448 4.918 4.470 0.000 0.000 0.322 355 S C -2.695 171.141 174.600 -1.273 0.000 1.085 355 S CA -1.239 56.355 58.200 -1.010 0.000 1.096 355 S CB 1.375 64.283 63.200 -0.486 0.000 0.988 355 S HN 0.426 nan 8.310 nan 0.000 0.466 356 P HA 0.178 nan 4.420 nan 0.000 0.271 356 P C 0.406 177.387 177.300 -0.531 0.000 1.216 356 P CA -0.207 62.262 63.100 -1.052 0.000 0.776 356 P CB 0.834 31.970 31.700 -0.939 0.000 0.881 357 S N 2.292 117.717 115.700 -0.457 0.000 2.539 357 S HA 0.272 4.742 4.470 0.000 0.000 0.226 357 S C 0.527 175.071 174.600 -0.093 0.000 1.054 357 S CA -0.023 58.082 58.200 -0.159 0.000 0.910 357 S CB -0.303 62.799 63.200 -0.164 0.000 0.818 357 S HN 0.522 nan 8.310 nan 0.000 0.490 358 M N -0.178 119.158 119.600 -0.439 0.000 2.644 358 M HA 0.886 5.366 4.480 0.000 0.000 0.273 358 M C -1.836 173.854 176.300 -1.016 0.000 1.253 358 M CA -1.036 53.979 55.300 -0.475 0.000 0.852 358 M CB 1.750 34.287 32.600 -0.105 0.000 1.708 358 M HN 0.169 nan 8.290 nan 0.000 0.471 359 A N 0.179 122.263 122.820 -1.226 0.000 2.605 359 A HA 0.966 5.286 4.320 0.000 0.000 0.294 359 A C -0.862 175.976 177.584 -1.243 0.000 1.062 359 A CA 0.027 51.155 52.037 -1.515 0.000 0.682 359 A CB 1.444 19.663 19.000 -1.302 0.000 1.278 359 A HN 1.580 nan 8.150 nan 0.000 0.410 360 G N -0.511 107.292 108.800 -1.661 0.000 2.772 360 G HA2 0.641 4.601 3.960 0.000 0.000 0.284 360 G HA3 0.641 4.601 3.960 0.000 0.000 0.284 360 G C -1.679 172.811 174.900 -0.683 0.000 1.217 360 G CA -0.504 44.176 45.100 -0.700 0.000 0.831 360 G HN 0.653 nan 8.290 nan 0.000 0.523 361 F N 0.188 119.978 119.950 -0.267 0.000 2.469 361 F HA 0.453 4.980 4.527 0.000 0.000 0.332 361 F C 1.026 176.908 175.800 0.136 0.000 1.103 361 F CA -0.652 57.127 58.000 -0.367 0.000 0.979 361 F CB 2.380 40.580 39.000 -1.333 0.000 1.137 361 F HN 0.330 nan 8.300 nan 0.000 0.463 362 L N 1.276 122.682 121.223 0.305 0.000 2.179 362 L HA 0.159 4.499 4.340 0.000 0.000 0.208 362 L C 0.008 176.958 176.870 0.133 0.000 1.096 362 L CA 1.776 56.767 54.840 0.250 0.000 0.779 362 L CB -0.207 41.956 42.059 0.174 0.000 0.922 362 L HN 0.530 nan 8.230 nan 0.000 0.443 363 D N -2.534 117.933 120.400 0.111 0.000 2.966 363 D HA 0.035 4.675 4.640 0.000 0.000 0.222 363 D C -0.503 175.840 176.300 0.070 0.000 1.292 363 D CA -0.391 53.637 54.000 0.046 0.000 0.907 363 D CB 0.612 41.441 40.800 0.048 0.000 1.621 363 D HN 0.068 nan 8.370 nan 0.000 0.557 364 W N 2.321 123.538 121.300 -0.137 0.000 3.077 364 W HA 0.214 4.874 4.660 0.000 0.000 0.245 364 W C 1.615 178.079 176.519 -0.093 0.000 1.316 364 W CA -0.112 57.074 57.345 -0.266 0.000 1.537 364 W CB 0.287 29.512 29.460 -0.391 0.000 1.131 364 W HN 0.362 nan 8.180 nan 0.000 0.695 365 G N 0.208 109.110 108.800 0.170 0.000 2.398 365 G HA2 -0.019 3.941 3.960 0.000 0.000 0.246 365 G HA3 -0.019 3.941 3.960 0.000 0.000 0.246 365 G C 0.285 175.356 174.900 0.285 0.000 1.289 365 G CA -0.549 44.666 45.100 0.192 0.000 0.869 365 G HN 0.220 nan 8.290 nan 0.000 0.543 366 F N 2.042 122.125 119.950 0.221 0.000 2.126 366 F HA -0.144 4.383 4.527 0.000 0.000 0.299 366 F C 2.407 178.392 175.800 0.309 0.000 1.096 366 F CA 2.103 60.276 58.000 0.288 0.000 1.255 366 F CB 0.296 39.555 39.000 0.431 0.000 0.997 366 F HN 0.360 nan 8.300 nan 0.000 0.479 367 S N 0.310 116.269 115.700 0.432 0.000 2.631 367 S HA 0.389 4.859 4.470 0.000 0.000 0.217 367 S C 0.506 175.105 174.600 -0.001 0.000 0.958 367 S CA 0.132 58.394 58.200 0.103 0.000 0.920 367 S CB -0.484 62.746 63.200 0.051 0.000 0.776 367 S HN 0.426 nan 8.310 nan 0.000 0.517 368 A N 1.452 124.363 122.820 0.153 0.000 2.289 368 A HA 0.756 5.076 4.320 0.000 0.000 0.298 368 A C -0.657 177.171 177.584 0.406 0.000 1.208 368 A CA -0.259 51.892 52.037 0.190 0.000 0.845 368 A CB 0.355 19.444 19.000 0.149 0.000 1.125 368 A HN 0.467 nan 8.150 nan 0.000 0.517 369 Y N 0.955 121.421 120.300 0.277 0.000 2.818 369 Y HA 0.404 4.954 4.550 0.000 0.000 0.341 369 Y C 0.514 176.692 175.900 0.464 0.000 1.283 369 Y CA -0.037 58.284 58.100 0.368 0.000 1.075 369 Y CB 0.866 39.616 38.460 0.483 0.000 1.370 369 Y HN 1.751 nan 8.280 nan 0.000 0.448 370 A N 0.761 123.515 122.820 -0.109 0.000 2.596 370 A HA -0.011 4.309 4.320 0.000 0.000 0.300 370 A C 0.142 177.804 177.584 0.131 0.000 1.495 370 A CA 0.954 52.982 52.037 -0.015 0.000 0.769 370 A CB -2.152 16.963 19.000 0.192 0.000 1.047 370 A HN 1.733 nan 8.150 nan 0.000 0.436 371 A N -0.451 122.436 122.820 0.112 0.000 2.498 371 A HA 0.615 4.935 4.320 0.000 0.000 0.239 371 A C 0.751 178.450 177.584 0.192 0.000 1.068 371 A CA 0.738 52.889 52.037 0.191 0.000 0.766 371 A CB 0.223 19.318 19.000 0.158 0.000 1.003 371 A HN 2.367 nan 8.150 nan 0.000 0.497 372 A N 2.345 125.365 122.820 0.334 0.000 2.385 372 A HA 0.712 5.032 4.320 0.000 0.000 0.290 372 A C 0.266 178.224 177.584 0.624 0.000 1.094 372 A CA 0.160 52.433 52.037 0.393 0.000 0.729 372 A CB 0.878 20.056 19.000 0.297 0.000 1.194 372 A HN 1.748 nan 8.150 nan 0.000 0.442 373 G N 0.547 109.677 108.800 0.549 0.000 2.887 373 G HA2 0.727 4.687 3.960 0.000 0.000 0.277 373 G HA3 0.727 4.687 3.960 0.000 0.000 0.277 373 G C -0.830 174.302 174.900 0.387 0.000 1.346 373 G CA -0.736 44.561 45.100 0.329 0.000 1.058 373 G HN 0.795 nan 8.290 nan 0.000 0.535 374 K N -1.424 118.856 120.400 -0.200 0.000 2.610 374 K HA 0.416 4.736 4.320 0.000 0.000 0.278 374 K C -0.956 175.584 176.600 -0.100 0.000 0.964 374 K CA -0.572 55.820 56.287 0.173 0.000 0.859 374 K CB 1.655 34.483 32.500 0.546 0.000 1.434 374 K HN 0.410 nan 8.250 nan 0.000 0.410 375 V N 3.243 123.243 119.914 0.143 0.000 2.637 375 V HA 0.253 4.373 4.120 0.000 0.000 0.296 375 V C -0.139 176.017 176.094 0.103 0.000 1.046 375 V CA -0.372 61.938 62.300 0.017 0.000 1.066 375 V CB 0.757 32.564 31.823 -0.026 0.000 0.968 375 V HN 0.588 nan 8.190 nan 0.000 0.483 376 L N 8.879 130.101 121.223 -0.002 0.000 2.356 376 L HA 0.584 4.924 4.340 0.000 0.000 0.264 376 L C -2.467 174.419 176.870 0.027 0.000 1.029 376 L CA -1.895 52.921 54.840 -0.039 0.000 0.897 376 L CB 1.199 43.088 42.059 -0.283 0.000 1.256 376 L HN 0.399 nan 8.230 nan 0.000 0.444 377 P HA 0.054 nan 4.420 nan 0.000 0.266 377 P C 0.244 177.586 177.300 0.069 0.000 1.193 377 P CA 0.275 63.439 63.100 0.106 0.000 0.770 377 P CB 0.810 32.592 31.700 0.138 0.000 0.836 378 A N 2.312 125.174 122.820 0.069 0.000 2.067 378 A HA -0.122 4.198 4.320 0.000 0.000 0.219 378 A C 1.919 179.530 177.584 0.045 0.000 1.158 378 A CA 1.765 53.830 52.037 0.046 0.000 0.661 378 A CB -1.350 17.680 19.000 0.049 0.000 0.801 378 A HN 0.588 nan 8.150 nan 0.000 0.452 379 S N 0.444 116.182 115.700 0.063 0.000 2.561 379 S HA 0.039 4.509 4.470 0.000 0.000 0.225 379 S C 1.064 175.701 174.600 0.062 0.000 0.977 379 S CA 0.400 58.636 58.200 0.061 0.000 0.926 379 S CB -0.912 62.332 63.200 0.073 0.000 0.769 379 S HN 0.749 nan 8.310 nan 0.000 0.533 380 S N 1.033 116.774 115.700 0.067 0.000 2.584 380 S HA 0.594 5.064 4.470 0.000 0.000 0.270 380 S C 1.301 175.926 174.600 0.042 0.000 1.346 380 S CA -0.290 57.954 58.200 0.073 0.000 1.018 380 S CB 0.935 64.183 63.200 0.080 0.000 0.899 380 S HN 0.522 nan 8.310 nan 0.000 0.542 381 A N 1.952 124.798 122.820 0.044 0.000 2.067 381 A HA 0.064 4.384 4.320 0.000 0.000 0.219 381 A C 1.930 179.509 177.584 -0.008 0.000 1.158 381 A CA 1.211 53.258 52.037 0.016 0.000 0.661 381 A CB -0.931 18.079 19.000 0.016 0.000 0.801 381 A HN 0.762 nan 8.150 nan 0.000 0.452 382 V N -0.628 119.281 119.914 -0.009 0.000 2.302 382 V HA -0.154 3.966 4.120 0.000 0.000 0.243 382 V C 2.707 178.770 176.094 -0.053 0.000 1.036 382 V CA 2.235 64.507 62.300 -0.048 0.000 1.020 382 V CB -0.772 31.007 31.823 -0.073 0.000 0.657 382 V HN 0.528 nan 8.190 nan 0.000 0.453 383 S N -0.490 115.186 115.700 -0.039 0.000 2.402 383 S HA -0.154 4.316 4.470 0.000 0.000 0.229 383 S C 1.948 176.535 174.600 -0.022 0.000 1.021 383 S CA 1.221 59.401 58.200 -0.034 0.000 0.974 383 S CB -0.218 62.971 63.200 -0.018 0.000 0.800 383 S HN 0.545 nan 8.310 nan 0.000 0.484 384 K N 0.840 121.233 120.400 -0.012 0.000 2.002 384 K HA -0.061 4.259 4.320 0.000 0.000 0.209 384 K C 2.276 178.864 176.600 -0.021 0.000 1.048 384 K CA 1.643 57.925 56.287 -0.009 0.000 0.930 384 K CB -0.578 31.922 32.500 -0.001 0.000 0.714 384 K HN 0.231 nan 8.250 nan 0.000 0.438 385 T N 0.831 115.367 114.554 -0.029 0.000 2.833 385 T HA -0.108 4.242 4.350 0.000 0.000 0.269 385 T C 1.933 176.605 174.700 -0.048 0.000 1.054 385 T CA 1.714 63.790 62.100 -0.040 0.000 1.135 385 T CB -0.136 68.701 68.868 -0.051 0.000 0.869 385 T HN 0.354 nan 8.240 nan 0.000 0.466 386 S N -0.142 115.527 115.700 -0.052 0.000 2.556 386 S HA 0.401 4.871 4.470 0.000 0.000 0.216 386 S C 1.754 176.328 174.600 -0.044 0.000 0.970 386 S CA 0.523 58.689 58.200 -0.057 0.000 0.912 386 S CB 0.090 63.248 63.200 -0.071 0.000 0.790 386 S HN 0.654 nan 8.310 nan 0.000 0.504 387 G N 0.623 109.404 108.800 -0.033 0.000 2.143 387 G HA2 -0.234 3.726 3.960 0.000 0.000 0.249 387 G HA3 -0.234 3.726 3.960 0.000 0.000 0.249 387 G C 0.009 174.898 174.900 -0.019 0.000 0.981 387 G CA 0.025 45.111 45.100 -0.023 0.000 0.665 387 G HN 0.672 nan 8.290 nan 0.000 0.528 388 V N 1.509 121.410 119.914 -0.023 0.000 2.508 388 V HA 0.412 4.532 4.120 0.000 0.000 0.281 388 V C 1.021 177.114 176.094 -0.002 0.000 1.041 388 V CA 0.845 63.135 62.300 -0.017 0.000 1.016 388 V CB 1.305 33.111 31.823 -0.027 0.000 0.984 388 V HN 0.576 nan 8.190 nan 0.000 0.478 389 E N 4.242 124.446 120.200 0.006 0.000 2.989 389 E HA 0.398 4.748 4.350 0.000 0.000 0.207 389 E C -0.557 176.061 176.600 0.030 0.000 0.989 389 E CA -0.249 56.162 56.400 0.018 0.000 1.186 389 E CB 1.141 30.850 29.700 0.016 0.000 1.141 389 E HN 0.505 nan 8.360 nan 0.000 0.454 390 V N -2.696 117.239 119.914 0.034 0.000 3.078 390 V HA 0.492 4.612 4.120 0.000 0.000 0.311 390 V C -1.049 175.086 176.094 0.068 0.000 1.138 390 V CA -1.191 61.141 62.300 0.053 0.000 1.007 390 V CB 2.102 33.953 31.823 0.047 0.000 1.045 390 V HN -0.027 nan 8.190 nan 0.000 0.432 391 D N 2.213 122.677 120.400 0.107 0.000 2.304 391 D HA 0.503 5.143 4.640 0.000 0.000 0.250 391 D C -0.018 176.371 176.300 0.150 0.000 1.107 391 D CA 0.118 54.201 54.000 0.138 0.000 0.885 391 D CB 1.449 42.377 40.800 0.213 0.000 1.192 391 D HN 0.573 nan 8.370 nan 0.000 0.436 392 R N 0.896 121.459 120.500 0.104 0.000 2.923 392 R HA 0.463 4.803 4.340 0.000 0.000 0.252 392 R C -0.975 175.400 176.300 0.124 0.000 1.130 392 R CA -0.971 55.188 56.100 0.097 0.000 1.043 392 R CB 1.567 31.863 30.300 -0.006 0.000 1.205 392 R HN 0.418 nan 8.270 nan 0.000 0.495 393 Y N 0.826 121.138 120.300 0.021 0.000 2.363 393 Y HA 0.335 4.885 4.550 0.000 0.000 0.325 393 Y C -1.208 174.672 175.900 -0.033 0.000 0.984 393 Y CA -0.681 57.429 58.100 0.018 0.000 1.248 393 Y CB 1.174 39.705 38.460 0.118 0.000 1.116 393 Y HN 0.195 nan 8.280 nan 0.000 0.470 394 V N 4.992 124.613 119.914 -0.489 0.000 2.439 394 V HA 0.455 4.575 4.120 0.000 0.000 0.282 394 V C -0.119 175.674 176.094 -0.503 0.000 1.039 394 V CA -0.446 61.584 62.300 -0.450 0.000 0.913 394 V CB 1.492 33.014 31.823 -0.501 0.000 0.983 394 V HN 0.758 nan 8.190 nan 0.000 0.460 395 S N 4.315 119.791 115.700 -0.373 0.000 2.473 395 S HA 0.741 5.212 4.470 0.000 0.000 0.307 395 S C -1.156 173.268 174.600 -0.295 0.000 1.094 395 S CA -0.456 57.656 58.200 -0.148 0.000 1.070 395 S CB 0.589 63.839 63.200 0.084 0.000 1.019 395 S HN 0.403 nan 8.310 nan 0.000 0.480 396 F N 3.939 123.969 119.950 0.134 0.000 2.347 396 F HA 0.444 4.971 4.527 0.000 0.000 0.366 396 F C 0.109 176.037 175.800 0.212 0.000 1.107 396 F CA -0.740 57.352 58.000 0.154 0.000 1.058 396 F CB 1.494 40.585 39.000 0.151 0.000 1.236 396 F HN 0.218 nan 8.300 nan 0.000 0.456 397 V N 2.815 122.917 119.914 0.313 0.000 2.567 397 V HA 0.118 4.238 4.120 0.000 0.000 0.289 397 V C -0.504 175.817 176.094 0.379 0.000 1.049 397 V CA -0.789 61.691 62.300 0.300 0.000 0.969 397 V CB 1.247 33.190 31.823 0.201 0.000 0.995 397 V HN 0.716 nan 8.190 nan 0.000 0.471 398 W N 5.920 127.334 121.300 0.189 0.000 2.316 398 W HA 0.597 5.257 4.660 0.000 0.000 0.321 398 W C -0.818 175.791 176.519 0.149 0.000 1.203 398 W CA -1.189 56.261 57.345 0.175 0.000 1.214 398 W CB 1.189 30.774 29.460 0.208 0.000 1.169 398 W HN 0.391 nan 8.180 nan 0.000 0.561 399 L N 7.178 128.325 121.223 -0.126 0.000 2.384 399 L HA 0.260 4.601 4.340 0.000 0.000 0.261 399 L C 0.412 176.908 176.870 -0.622 0.000 1.024 399 L CA -0.233 54.400 54.840 -0.344 0.000 0.899 399 L CB 0.728 42.609 42.059 -0.297 0.000 1.243 399 L HN 0.479 nan 8.230 nan 0.000 0.449 400 T N 2.123 115.901 114.554 -1.293 0.000 2.946 400 T HA 0.208 4.558 4.350 0.000 0.000 0.312 400 T C 1.317 175.768 174.700 -0.415 0.000 1.066 400 T CA 0.765 62.094 62.100 -1.286 0.000 1.138 400 T CB 0.838 68.665 68.868 -1.735 0.000 1.014 400 T HN 0.803 nan 8.240 nan 0.000 0.544 401 G N 2.367 110.972 108.800 -0.325 0.000 2.662 401 G HA2 0.063 4.023 3.960 0.000 0.000 0.212 401 G HA3 0.063 4.023 3.960 0.000 0.000 0.212 401 G C 0.527 174.911 174.900 -0.861 0.000 1.141 401 G CA 0.400 45.154 45.100 -0.577 0.000 0.797 401 G HN 0.842 nan 8.290 nan 0.000 0.531 402 D N -0.722 119.331 120.400 -0.579 0.000 2.804 402 D HA 0.127 4.767 4.640 0.000 0.000 0.308 402 D C 0.280 176.404 176.300 -0.293 0.000 1.371 402 D CA -0.687 53.025 54.000 -0.481 0.000 0.823 402 D CB -0.710 39.894 40.800 -0.328 0.000 1.126 402 D HN 0.268 nan 8.370 nan 0.000 0.467 403 Q N 0.126 119.719 119.800 -0.345 0.000 2.452 403 Q HA -0.267 4.074 4.340 0.000 0.000 0.318 403 Q C -0.732 175.175 176.000 -0.155 0.000 1.386 403 Q CA 0.342 56.038 55.803 -0.177 0.000 0.872 403 Q CB -2.299 26.515 28.738 0.127 0.000 1.151 403 Q HN 0.496 nan 8.270 nan 0.000 0.417 404 Y N -2.245 117.955 120.300 -0.168 0.000 3.589 404 Y HA -0.332 4.218 4.550 0.000 0.000 0.218 404 Y C 0.551 176.450 175.900 -0.002 0.000 1.234 404 Y CA 1.338 59.353 58.100 -0.141 0.000 1.576 404 Y CB -2.527 35.690 38.460 -0.406 0.000 1.487 404 Y HN 0.613 nan 8.280 nan 0.000 0.616 405 E N -2.049 118.179 120.200 0.047 0.000 2.694 405 E HA -0.319 4.031 4.350 0.000 0.000 0.272 405 E C 0.740 177.385 176.600 0.075 0.000 1.040 405 E CA 0.652 57.089 56.400 0.061 0.000 0.809 405 E CB -0.604 29.157 29.700 0.103 0.000 1.389 405 E HN 0.606 nan 8.360 nan 0.000 0.413 406 Q N -1.719 118.131 119.800 0.083 0.000 2.189 406 Q HA 0.293 4.633 4.340 0.000 0.000 0.223 406 Q C 0.512 176.554 176.000 0.069 0.000 0.828 406 Q CA 0.677 56.537 55.803 0.096 0.000 0.967 406 Q CB 1.060 29.893 28.738 0.158 0.000 1.139 406 Q HN 0.364 nan 8.270 nan 0.000 0.497 407 A N 1.651 124.493 122.820 0.037 0.000 2.555 407 A HA -0.032 4.288 4.320 0.000 0.000 0.233 407 A C 0.105 177.713 177.584 0.040 0.000 1.060 407 A CA 0.161 52.214 52.037 0.027 0.000 0.759 407 A CB 0.063 19.059 19.000 -0.005 0.000 0.995 407 A HN 0.048 nan 8.150 nan 0.000 0.506 408 D N 1.263 121.684 120.400 0.035 0.000 2.563 408 D HA 0.408 5.048 4.640 0.000 0.000 0.222 408 D C 1.021 177.327 176.300 0.011 0.000 1.145 408 D CA 1.172 55.183 54.000 0.019 0.000 1.001 408 D CB -0.834 39.970 40.800 0.007 0.000 1.049 408 D HN 1.194 nan 8.370 nan 0.000 0.515 409 G N 3.278 112.091 108.800 0.021 0.000 2.289 409 G HA2 -0.303 3.657 3.960 0.000 0.000 0.280 409 G HA3 -0.303 3.657 3.960 0.000 0.000 0.280 409 G C 0.181 175.077 174.900 -0.008 0.000 1.089 409 G CA -0.222 44.880 45.100 0.003 0.000 0.939 409 G HN 0.488 nan 8.290 nan 0.000 0.499 410 F N 1.576 121.469 119.950 -0.094 0.000 2.553 410 F HA 0.444 4.971 4.527 0.000 0.000 0.356 410 F C -0.907 174.835 175.800 -0.097 0.000 1.142 410 F CA -1.203 56.721 58.000 -0.127 0.000 1.322 410 F CB 0.789 39.673 39.000 -0.193 0.000 1.126 410 F HN 0.081 nan 8.300 nan 0.000 0.599 411 P HA 0.064 nan 4.420 nan 0.000 0.225 411 P C 0.163 177.387 177.300 -0.126 0.000 1.813 411 P CA 0.110 62.994 63.100 -0.361 0.000 1.013 411 P CB 0.103 31.562 31.700 -0.402 0.000 1.961 412 T N 0.997 115.605 114.554 0.089 0.000 2.777 412 T HA -0.118 4.232 4.350 0.000 0.000 0.266 412 T C 1.962 176.691 174.700 0.047 0.000 1.040 412 T CA 1.801 63.981 62.100 0.133 0.000 1.141 412 T CB -0.240 68.694 68.868 0.110 0.000 0.868 412 T HN 0.284 nan 8.240 nan 0.000 0.444 413 A N 1.130 123.971 122.820 0.034 0.000 1.972 413 A HA -0.145 4.175 4.320 0.000 0.000 0.219 413 A C 2.278 179.887 177.584 0.043 0.000 1.169 413 A CA 1.425 53.486 52.037 0.040 0.000 0.635 413 A CB -0.528 18.489 19.000 0.029 0.000 0.810 413 A HN 0.374 nan 8.150 nan 0.000 0.446 414 Q N -0.813 118.994 119.800 0.012 0.000 2.123 414 Q HA -0.123 4.217 4.340 0.000 0.000 0.199 414 Q C 2.150 178.167 176.000 0.028 0.000 0.966 414 Q CA 1.803 57.615 55.803 0.014 0.000 0.845 414 Q CB -0.310 28.413 28.738 -0.025 0.000 0.907 414 Q HN 0.850 nan 8.270 nan 0.000 0.439 415 Q N -0.934 118.857 119.800 -0.016 0.000 2.137 415 Q HA -0.039 4.301 4.340 0.000 0.000 0.198 415 Q C 0.692 176.717 176.000 0.041 0.000 0.960 415 Q CA 1.151 56.896 55.803 -0.096 0.000 0.847 415 Q CB 0.050 28.599 28.738 -0.315 0.000 0.915 415 Q HN 0.472 nan 8.270 nan 0.000 0.448 416 G N -0.231 108.636 108.800 0.112 0.000 2.179 416 G HA2 -0.225 3.735 3.960 0.000 0.000 0.260 416 G HA3 -0.225 3.735 3.960 0.000 0.000 0.260 416 G C -0.333 174.798 174.900 0.386 0.000 0.977 416 G CA 0.490 45.785 45.100 0.325 0.000 0.641 416 G HN 0.429 nan 8.290 nan 0.000 0.533 417 W N -1.553 119.763 121.300 0.026 0.000 3.059 417 W HA 0.694 5.354 4.660 0.000 0.000 0.329 417 W C -1.051 175.438 176.519 -0.051 0.000 1.246 417 W CA -0.470 56.862 57.345 -0.022 0.000 1.190 417 W CB 0.517 29.881 29.460 -0.159 0.000 1.423 417 W HN 0.483 nan 8.180 nan 0.000 0.571 418 T N 1.649 116.319 114.554 0.192 0.000 3.071 418 T HA 0.605 4.955 4.350 0.000 0.000 0.311 418 T C 0.028 174.852 174.700 0.205 0.000 1.042 418 T CA 0.466 62.531 62.100 -0.059 0.000 1.028 418 T CB 1.119 69.945 68.868 -0.071 0.000 1.068 418 T HN 1.534 nan 8.240 nan 0.000 0.451 419 G N 1.927 110.827 108.800 0.167 0.000 2.795 419 G HA2 0.263 4.223 3.960 0.000 0.000 0.664 419 G HA3 0.263 4.223 3.960 0.000 0.000 0.664 419 G C -0.384 174.854 174.900 0.562 0.000 1.381 419 G CA -0.114 45.233 45.100 0.411 0.000 0.853 419 G HN 1.477 nan 8.290 nan 0.000 0.545 420 S N -1.556 114.400 115.700 0.427 0.000 2.615 420 S HA 0.681 5.151 4.470 0.000 0.000 0.268 420 S C -0.764 173.973 174.600 0.228 0.000 1.146 420 S CA -0.306 58.035 58.200 0.235 0.000 0.818 420 S CB 1.000 64.293 63.200 0.156 0.000 1.111 420 S HN 1.205 nan 8.310 nan 0.000 0.465 421 L N 2.493 123.827 121.223 0.185 0.000 2.352 421 L HA 0.597 4.937 4.340 0.000 0.000 0.269 421 L C -0.168 176.871 176.870 0.281 0.000 1.034 421 L CA -1.007 53.991 54.840 0.264 0.000 0.806 421 L CB 1.135 43.341 42.059 0.245 0.000 1.244 421 L HN 0.615 nan 8.230 nan 0.000 0.447 422 L N 1.140 122.528 121.223 0.274 0.000 2.469 422 L HA 0.367 4.707 4.340 0.000 0.000 0.253 422 L C 0.015 177.029 176.870 0.239 0.000 1.143 422 L CA -0.889 54.123 54.840 0.286 0.000 0.804 422 L CB 0.621 42.776 42.059 0.160 0.000 1.214 422 L HN 0.366 nan 8.230 nan 0.000 0.476 423 L N 1.341 122.647 121.223 0.139 0.000 2.514 423 L HA 0.066 4.406 4.340 0.000 0.000 0.280 423 L C -2.055 174.809 176.870 -0.011 0.000 1.223 423 L CA -1.525 53.313 54.840 -0.002 0.000 0.864 423 L CB -0.294 41.768 42.059 0.004 0.000 1.118 423 L HN 0.278 nan 8.230 nan 0.000 0.494 424 P HA 0.129 nan 4.420 nan 0.000 0.267 424 P C -1.009 176.121 177.300 -0.283 0.000 1.200 424 P CA 0.156 62.970 63.100 -0.478 0.000 0.772 424 P CB 0.521 31.951 31.700 -0.450 0.000 0.855 425 R N 1.478 121.791 120.500 -0.311 0.000 2.686 425 R HA 0.361 4.701 4.340 0.000 0.000 0.283 425 R C -0.410 175.800 176.300 -0.149 0.000 0.978 425 R CA -0.795 55.221 56.100 -0.140 0.000 0.897 425 R CB 2.072 32.369 30.300 -0.005 0.000 1.192 425 R HN 0.461 nan 8.270 nan 0.000 0.457 426 E N 2.035 122.173 120.200 -0.102 0.000 2.283 426 E HA 0.241 4.591 4.350 0.000 0.000 0.278 426 E C -0.912 175.663 176.600 -0.041 0.000 1.027 426 E CA -0.490 55.865 56.400 -0.075 0.000 0.843 426 E CB 0.962 30.618 29.700 -0.073 0.000 1.062 426 E HN 0.069 nan 8.360 nan 0.000 0.401 427 L N 4.063 125.285 121.223 -0.003 0.000 2.346 427 L HA 0.482 4.822 4.340 0.000 0.000 0.276 427 L C -0.206 176.581 176.870 -0.138 0.000 1.006 427 L CA -0.185 54.603 54.840 -0.087 0.000 0.817 427 L CB 1.340 43.363 42.059 -0.060 0.000 1.272 427 L HN 0.546 nan 8.230 nan 0.000 0.421 428 K N 0.855 121.103 120.400 -0.254 0.000 2.580 428 K HA 0.677 4.997 4.320 0.000 0.000 0.288 428 K C -1.656 174.746 176.600 -0.329 0.000 1.041 428 K CA -0.960 55.181 56.287 -0.243 0.000 0.855 428 K CB 1.326 33.764 32.500 -0.103 0.000 1.543 428 K HN 0.034 nan 8.250 nan 0.000 0.388 429 V N 1.891 121.683 119.914 -0.204 0.000 2.408 429 V HA 0.176 4.296 4.120 0.000 0.000 0.267 429 V C -0.386 175.684 176.094 -0.040 0.000 1.047 429 V CA -0.115 62.123 62.300 -0.103 0.000 0.937 429 V CB 0.676 32.516 31.823 0.028 0.000 0.999 429 V HN 0.677 nan 8.190 nan 0.000 0.472 430 Q N 4.204 123.993 119.800 -0.019 0.000 2.256 430 Q HA 0.581 4.921 4.340 0.000 0.000 0.257 430 Q C -0.163 175.869 176.000 0.054 0.000 0.936 430 Q CA -0.355 55.459 55.803 0.017 0.000 0.903 430 Q CB 1.796 30.550 28.738 0.027 0.000 1.263 430 Q HN 0.910 nan 8.270 nan 0.000 0.440 431 T N -0.121 114.459 114.554 0.044 0.000 2.888 431 T HA 0.736 5.086 4.350 0.000 0.000 0.284 431 T C -0.709 174.011 174.700 0.033 0.000 1.017 431 T CA -0.825 61.300 62.100 0.042 0.000 1.022 431 T CB 1.261 70.146 68.868 0.029 0.000 1.013 431 T HN 0.313 nan 8.240 nan 0.000 0.465 432 V N 3.199 123.121 119.914 0.012 0.000 2.304 432 V HA 0.353 4.473 4.120 0.000 0.000 0.278 432 V C 0.152 176.225 176.094 -0.035 0.000 1.018 432 V CA -0.777 61.522 62.300 -0.003 0.000 0.814 432 V CB 0.589 32.399 31.823 -0.021 0.000 1.021 432 V HN 0.948 nan 8.190 nan 0.000 0.440 433 E N 2.853 123.045 120.200 -0.013 0.000 2.280 433 E HA 0.405 4.755 4.350 0.000 0.000 0.261 433 E C 0.091 176.679 176.600 -0.021 0.000 1.088 433 E CA -0.675 55.714 56.400 -0.019 0.000 0.915 433 E CB 0.648 30.345 29.700 -0.005 0.000 1.141 433 E HN 0.723 nan 8.360 nan 0.000 0.433 434 N N -1.025 117.662 118.700 -0.022 0.000 2.735 434 N HA -0.169 4.571 4.740 0.000 0.000 0.248 434 N C -0.991 174.506 175.510 -0.022 0.000 1.083 434 N CA -0.108 52.933 53.050 -0.016 0.000 0.703 434 N CB -1.097 37.389 38.487 -0.003 0.000 1.005 434 N HN 0.077 nan 8.380 nan 0.000 0.550 435 V N 0.810 120.692 119.914 -0.054 0.000 2.607 435 V HA 0.237 4.357 4.120 0.000 0.000 0.289 435 V C 0.950 177.007 176.094 -0.061 0.000 1.053 435 V CA -0.687 61.566 62.300 -0.079 0.000 0.996 435 V CB 1.841 33.533 31.823 -0.219 0.000 0.995 435 V HN -0.003 nan 8.190 nan 0.000 0.476 436 V N 3.769 123.668 119.914 -0.024 0.000 2.397 436 V HA 0.060 4.180 4.120 0.000 0.000 0.262 436 V C 0.745 176.829 176.094 -0.016 0.000 1.047 436 V CA -0.184 62.113 62.300 -0.005 0.000 1.003 436 V CB 0.699 32.538 31.823 0.026 0.000 1.037 436 V HN 0.917 nan 8.190 nan 0.000 0.480 437 D N 6.069 126.455 120.400 -0.023 0.000 2.542 437 D HA -0.023 4.617 4.640 0.000 0.000 0.242 437 D C 0.282 176.592 176.300 0.017 0.000 1.207 437 D CA 0.213 54.201 54.000 -0.020 0.000 1.172 437 D CB -0.093 40.698 40.800 -0.014 0.000 1.126 437 D HN 0.758 nan 8.370 nan 0.000 0.500 438 N N 1.169 119.893 118.700 0.040 0.000 2.453 438 N HA 0.107 4.847 4.740 0.000 0.000 0.290 438 N C 0.798 176.374 175.510 0.110 0.000 1.250 438 N CA -0.461 52.632 53.050 0.072 0.000 0.815 438 N CB 0.878 39.413 38.487 0.080 0.000 1.381 438 N HN -0.172 nan 8.380 nan 0.000 0.510 439 E N 0.531 120.796 120.200 0.108 0.000 2.197 439 E HA -0.184 4.166 4.350 0.000 0.000 0.205 439 E C 1.620 178.341 176.600 0.202 0.000 1.029 439 E CA 1.644 58.122 56.400 0.131 0.000 0.828 439 E CB -0.439 29.328 29.700 0.112 0.000 0.737 439 E HN 0.527 nan 8.360 nan 0.000 0.464 440 L N -0.272 121.091 121.223 0.234 0.000 2.189 440 L HA -0.199 4.141 4.340 0.000 0.000 0.214 440 L C 2.004 179.181 176.870 0.511 0.000 1.097 440 L CA 0.777 55.832 54.840 0.358 0.000 0.764 440 L CB -0.291 41.985 42.059 0.361 0.000 0.900 440 L HN 0.110 nan 8.230 nan 0.000 0.436 441 V N -1.630 118.477 119.914 0.322 0.000 2.795 441 V HA 0.017 4.137 4.120 0.000 0.000 0.243 441 V C 1.496 177.805 176.094 0.358 0.000 1.069 441 V CA 0.652 63.120 62.300 0.280 0.000 1.089 441 V CB -0.178 31.626 31.823 -0.031 0.000 0.756 441 V HN 0.303 nan 8.190 nan 0.000 0.471 442 R N 1.561 122.185 120.500 0.206 0.000 3.541 442 R HA 0.291 4.631 4.340 0.000 0.000 0.277 442 R C 0.307 176.668 176.300 0.103 0.000 1.539 442 R CA -0.073 56.104 56.100 0.129 0.000 1.338 442 R CB -0.634 29.713 30.300 0.079 0.000 1.343 442 R HN 0.604 nan 8.270 nan 0.000 0.623 443 E N 0.956 121.234 120.200 0.130 0.000 2.283 443 E HA 0.132 4.482 4.350 0.000 0.000 0.267 443 E C -0.601 175.956 176.600 -0.070 0.000 1.045 443 E CA -0.461 55.978 56.400 0.066 0.000 0.884 443 E CB 1.108 30.898 29.700 0.150 0.000 1.106 443 E HN 0.157 nan 8.360 nan 0.000 0.408 444 E N 0.495 120.644 120.200 -0.085 0.000 2.313 444 E HA 0.312 4.662 4.350 0.000 0.000 0.272 444 E C -0.140 176.291 176.600 -0.282 0.000 1.038 444 E CA -0.037 56.252 56.400 -0.186 0.000 0.863 444 E CB 1.154 30.753 29.700 -0.169 0.000 1.060 444 E HN 0.805 nan 8.360 nan 0.000 0.402 445 G N 1.109 109.626 108.800 -0.472 0.000 2.359 445 G HA2 -0.210 3.750 3.960 0.000 0.000 0.298 445 G HA3 -0.210 3.750 3.960 0.000 0.000 0.298 445 G C 0.118 174.857 174.900 -0.268 0.000 1.030 445 G CA 0.529 45.179 45.100 -0.751 0.000 1.149 445 G HN 0.380 nan 8.290 nan 0.000 0.512 446 V N -3.101 116.615 119.914 -0.329 0.000 3.284 446 V HA 0.911 5.031 4.120 0.000 0.000 0.309 446 V C 0.947 176.732 176.094 -0.515 0.000 1.190 446 V CA 0.004 61.748 62.300 -0.926 0.000 1.038 446 V CB 1.870 32.401 31.823 -2.155 0.000 1.198 446 V HN 0.488 nan 8.190 nan 0.000 0.465 447 S N 1.209 116.545 115.700 -0.608 0.000 2.582 447 S HA 0.414 4.884 4.470 0.000 0.000 0.249 447 S C -0.610 174.269 174.600 0.464 0.000 1.072 447 S CA -0.257 57.992 58.200 0.082 0.000 1.115 447 S CB -1.128 62.394 63.200 0.536 0.000 0.790 447 S HN 0.970 nan 8.310 nan 0.000 0.459 448 W N -0.573 120.846 121.300 0.198 0.000 3.161 448 W HA 0.622 5.282 4.660 0.000 0.000 0.314 448 W C -1.660 174.917 176.519 0.096 0.000 1.245 448 W CA -1.429 56.027 57.345 0.186 0.000 1.191 448 W CB 0.249 29.806 29.460 0.162 0.000 1.392 448 W HN -0.042 nan 8.180 nan 0.000 0.568 449 V N -0.266 119.843 119.914 0.324 0.000 2.914 449 V HA 0.834 4.954 4.120 0.000 0.000 0.314 449 V C -0.654 175.558 176.094 0.196 0.000 1.084 449 V CA -1.479 60.933 62.300 0.186 0.000 0.963 449 V CB 1.170 33.048 31.823 0.091 0.000 1.025 449 V HN 0.705 nan 8.190 nan 0.000 0.432 450 V N 3.419 123.412 119.914 0.130 0.000 2.470 450 V HA 0.415 4.535 4.120 0.000 0.000 0.276 450 V C 1.509 177.632 176.094 0.048 0.000 1.040 450 V CA 1.040 63.384 62.300 0.073 0.000 1.008 450 V CB 0.309 32.161 31.823 0.048 0.000 0.990 450 V HN 1.206 nan 8.190 nan 0.000 0.477 451 G N 4.767 113.588 108.800 0.036 0.000 2.425 451 G HA2 0.081 4.041 3.960 0.000 0.000 0.213 451 G HA3 0.081 4.041 3.960 0.000 0.000 0.213 451 G C 0.312 175.221 174.900 0.015 0.000 1.201 451 G CA 0.664 45.781 45.100 0.028 0.000 0.799 451 G HN 0.844 nan 8.290 nan 0.000 0.534 452 E N -1.336 118.867 120.200 0.005 0.000 2.349 452 E HA 0.574 4.924 4.350 0.000 0.000 0.290 452 E C -1.296 175.300 176.600 -0.006 0.000 0.901 452 E CA -0.739 55.662 56.400 0.002 0.000 0.800 452 E CB 1.538 31.240 29.700 0.003 0.000 1.303 452 E HN 0.056 nan 8.360 nan 0.000 0.397 453 S N 2.059 117.757 115.700 -0.004 0.000 2.540 453 S HA 0.410 4.880 4.470 0.000 0.000 0.275 453 S C -1.094 173.504 174.600 -0.003 0.000 1.123 453 S CA -0.676 57.520 58.200 -0.007 0.000 0.907 453 S CB 1.146 64.342 63.200 -0.007 0.000 1.081 453 S HN 0.522 nan 8.310 nan 0.000 0.476 454 D N 2.717 123.115 120.400 -0.004 0.000 2.538 454 D HA 0.276 4.916 4.640 0.000 0.000 0.231 454 D C 0.215 176.515 176.300 -0.000 0.000 1.229 454 D CA -0.202 53.797 54.000 -0.001 0.000 0.828 454 D CB 0.101 40.900 40.800 -0.002 0.000 1.035 454 D HN 0.663 nan 8.370 nan 0.000 0.495 455 N N 0.543 119.243 118.700 -0.000 0.000 2.900 455 N HA -0.246 4.494 4.740 0.000 0.000 0.240 455 N C 1.274 176.785 175.510 0.002 0.000 0.953 455 N CA 1.708 54.760 53.050 0.002 0.000 0.950 455 N CB -0.519 37.971 38.487 0.004 0.000 1.102 455 N HN 0.413 nan 8.380 nan 0.000 0.593 456 Q N -0.305 119.495 119.800 -0.001 0.000 2.499 456 Q HA 0.203 4.543 4.340 0.000 0.000 0.213 456 Q C 0.843 176.840 176.000 -0.005 0.000 0.929 456 Q CA 1.273 57.076 55.803 -0.000 0.000 0.904 456 Q CB 0.046 28.784 28.738 0.000 0.000 1.052 456 Q HN 0.375 nan 8.270 nan 0.000 0.589 457 T N -1.958 112.590 114.554 -0.010 0.000 2.993 457 T HA 0.876 5.226 4.350 0.000 0.000 0.312 457 T C -1.058 173.627 174.700 -0.025 0.000 1.115 457 T CA -0.395 61.694 62.100 -0.019 0.000 1.027 457 T CB 1.894 70.754 68.868 -0.014 0.000 1.116 457 T HN 0.484 nan 8.240 nan 0.000 0.464 458 A N 1.945 124.739 122.820 -0.045 0.000 2.479 458 A HA 0.894 5.214 4.320 0.000 0.000 0.296 458 A C -0.058 177.488 177.584 -0.064 0.000 1.121 458 A CA -0.974 51.035 52.037 -0.046 0.000 0.743 458 A CB 1.556 20.528 19.000 -0.047 0.000 1.323 458 A HN 0.903 nan 8.150 nan 0.000 0.415 459 T N 1.081 115.608 114.554 -0.044 0.000 2.875 459 T HA 0.564 4.914 4.350 0.000 0.000 0.284 459 T C -0.720 173.951 174.700 -0.048 0.000 0.995 459 T CA -0.033 62.042 62.100 -0.041 0.000 1.060 459 T CB 0.580 69.441 68.868 -0.012 0.000 0.967 459 T HN 0.335 nan 8.240 nan 0.000 0.476 460 L N 2.936 124.120 121.223 -0.066 0.000 2.334 460 L HA 0.545 4.886 4.340 0.000 0.000 0.276 460 L C 0.304 177.205 176.870 0.050 0.000 1.014 460 L CA -0.387 54.425 54.840 -0.045 0.000 0.815 460 L CB 1.566 43.487 42.059 -0.231 0.000 1.268 460 L HN 0.468 nan 8.230 nan 0.000 0.428 461 R N 1.049 121.629 120.500 0.134 0.000 2.494 461 R HA 0.776 5.116 4.340 0.000 0.000 0.305 461 R C -0.677 175.790 176.300 0.278 0.000 0.959 461 R CA -0.538 55.663 56.100 0.169 0.000 0.864 461 R CB 2.140 32.528 30.300 0.147 0.000 1.159 461 R HN 0.657 nan 8.270 nan 0.000 0.446 462 T N 1.416 116.129 114.554 0.266 0.000 2.731 462 T HA 0.284 4.634 4.350 0.000 0.000 0.300 462 T C -1.716 173.053 174.700 0.115 0.000 1.283 462 T CA -0.736 61.569 62.100 0.341 0.000 1.005 462 T CB 1.193 70.329 68.868 0.447 0.000 1.420 462 T HN 0.347 nan 8.240 nan 0.000 0.503 463 L N 2.535 123.637 121.223 -0.201 0.000 2.360 463 L HA 0.679 5.019 4.340 0.000 0.000 0.276 463 L C 0.603 177.288 176.870 -0.309 0.000 1.121 463 L CA 0.349 54.825 54.840 -0.608 0.000 0.845 463 L CB 0.133 41.261 42.059 -1.551 0.000 1.143 463 L HN 0.695 nan 8.230 nan 0.000 0.452 464 G N 6.532 115.176 108.800 -0.259 0.000 2.353 464 G HA2 0.548 4.508 3.960 0.000 0.000 0.284 464 G HA3 0.548 4.508 3.960 0.000 0.000 0.284 464 G C -0.648 174.191 174.900 -0.103 0.000 1.172 464 G CA -0.510 44.525 45.100 -0.109 0.000 0.854 464 G HN 0.674 nan 8.290 nan 0.000 0.485 465 I N 2.462 123.036 120.570 0.007 0.000 2.439 465 I HA 0.367 4.537 4.170 0.000 0.000 0.283 465 I C 0.060 176.251 176.117 0.124 0.000 1.023 465 I CA -0.576 60.760 61.300 0.059 0.000 1.100 465 I CB 2.014 40.086 38.000 0.119 0.000 1.238 465 I HN 0.586 nan 8.210 nan 0.000 0.445 466 T N 2.903 117.489 114.554 0.053 0.000 2.896 466 T HA 0.647 4.997 4.350 0.000 0.000 0.297 466 T C -0.280 174.366 174.700 -0.090 0.000 1.108 466 T CA -0.819 61.269 62.100 -0.021 0.000 1.004 466 T CB 1.805 70.643 68.868 -0.051 0.000 1.159 466 T HN 0.235 nan 8.240 nan 0.000 0.499 467 I N 2.001 122.415 120.570 -0.260 0.000 2.588 467 I HA 0.383 4.553 4.170 0.000 0.000 0.283 467 I C 1.322 177.344 176.117 -0.159 0.000 1.119 467 I CA -0.605 60.548 61.300 -0.245 0.000 1.419 467 I CB 0.577 38.360 38.000 -0.361 0.000 1.394 467 I HN 0.960 nan 8.210 nan 0.000 0.562 468 A N 7.308 130.043 122.820 -0.141 0.000 2.566 468 A HA -0.007 4.313 4.320 0.000 0.000 0.245 468 A C 1.744 179.256 177.584 -0.120 0.000 1.056 468 A CA -0.079 51.875 52.037 -0.139 0.000 0.757 468 A CB 0.019 18.920 19.000 -0.165 0.000 0.979 468 A HN 0.984 nan 8.150 nan 0.000 0.508 469 R N 2.112 122.546 120.500 -0.110 0.000 2.119 469 R HA -0.258 4.082 4.340 0.000 0.000 0.246 469 R C 0.911 177.148 176.300 -0.104 0.000 1.146 469 R CA 2.227 58.268 56.100 -0.098 0.000 0.962 469 R CB -0.474 29.776 30.300 -0.083 0.000 0.863 469 R HN 0.716 nan 8.270 nan 0.000 0.442 470 E N 0.472 120.603 120.200 -0.114 0.000 2.153 470 E HA -0.082 4.268 4.350 0.000 0.000 0.194 470 E C 1.976 178.489 176.600 -0.144 0.000 0.988 470 E CA 1.968 58.288 56.400 -0.132 0.000 0.811 470 E CB -0.157 29.458 29.700 -0.141 0.000 0.746 470 E HN 0.429 nan 8.360 nan 0.000 0.466 471 T N 0.328 114.820 114.554 -0.103 0.000 2.857 471 T HA -0.095 4.255 4.350 0.000 0.000 0.266 471 T C 1.754 176.427 174.700 -0.045 0.000 1.048 471 T CA 1.143 63.214 62.100 -0.047 0.000 1.139 471 T CB -0.064 68.807 68.868 0.005 0.000 0.874 471 T HN 0.078 nan 8.240 nan 0.000 0.455 472 K N 1.046 121.399 120.400 -0.077 0.000 2.057 472 K HA 0.014 4.334 4.320 0.000 0.000 0.206 472 K C 2.479 179.038 176.600 -0.068 0.000 1.050 472 K CA 1.090 57.333 56.287 -0.073 0.000 0.935 472 K CB -0.267 32.172 32.500 -0.101 0.000 0.715 472 K HN 0.255 nan 8.250 nan 0.000 0.439 473 A N 1.162 123.924 122.820 -0.097 0.000 1.858 473 A HA -0.120 4.200 4.320 0.000 0.000 0.216 473 A C 2.355 179.851 177.584 -0.146 0.000 1.190 473 A CA 1.941 53.915 52.037 -0.106 0.000 0.617 473 A CB -0.977 17.954 19.000 -0.115 0.000 0.827 473 A HN 0.466 nan 8.150 nan 0.000 0.443 474 A N -0.480 122.187 122.820 -0.254 0.000 1.978 474 A HA -0.060 4.260 4.320 0.000 0.000 0.220 474 A C 2.125 179.531 177.584 -0.297 0.000 1.170 474 A CA 1.507 53.242 52.037 -0.505 0.000 0.636 474 A CB -0.599 17.767 19.000 -1.057 0.000 0.810 474 A HN 0.489 nan 8.150 nan 0.000 0.448 475 L N -1.160 120.061 121.223 -0.004 0.000 2.201 475 L HA -0.075 4.265 4.340 0.000 0.000 0.212 475 L C 1.801 178.742 176.870 0.119 0.000 1.105 475 L CA 0.844 55.810 54.840 0.211 0.000 0.775 475 L CB -0.188 41.965 42.059 0.158 0.000 0.913 475 L HN 0.388 nan 8.230 nan 0.000 0.440 476 L N -2.095 119.149 121.223 0.035 0.000 2.731 476 L HA 0.229 4.569 4.340 0.000 0.000 0.240 476 L C 2.447 179.321 176.870 0.007 0.000 1.120 476 L CA 0.071 54.929 54.840 0.031 0.000 0.913 476 L CB -0.268 41.800 42.059 0.016 0.000 1.213 476 L HN 0.049 nan 8.230 nan 0.000 0.515 477 A N 1.332 124.135 122.820 -0.028 0.000 1.859 477 A HA -0.191 4.129 4.320 0.000 0.000 0.217 477 A C 1.628 179.204 177.584 -0.013 0.000 1.198 477 A CA 1.912 53.924 52.037 -0.042 0.000 0.629 477 A CB -0.376 18.569 19.000 -0.092 0.000 0.830 477 A HN 0.477 nan 8.150 nan 0.000 0.446 478 N N -0.079 118.625 118.700 0.006 0.000 2.273 478 N HA 0.170 4.910 4.740 0.000 0.000 0.231 478 N C 0.335 175.869 175.510 0.040 0.000 1.134 478 N CA 0.543 53.604 53.050 0.019 0.000 0.856 478 N CB 0.575 39.073 38.487 0.018 0.000 1.068 478 N HN 0.407 nan 8.380 nan 0.000 0.510 479 G N 0.206 109.037 108.800 0.052 0.000 2.415 479 G HA2 0.134 4.094 3.960 0.000 0.000 0.269 479 G HA3 0.134 4.094 3.960 0.000 0.000 0.269 479 G C -0.070 174.865 174.900 0.058 0.000 1.209 479 G CA -0.155 44.988 45.100 0.071 0.000 0.835 479 G HN 0.052 nan 8.290 nan 0.000 0.534 480 S N 0.256 115.994 115.700 0.064 0.000 2.510 480 S HA 0.304 4.774 4.470 0.000 0.000 0.279 480 S C 0.214 174.844 174.600 0.051 0.000 1.284 480 S CA -0.562 57.668 58.200 0.050 0.000 1.059 480 S CB 0.344 63.575 63.200 0.051 0.000 0.901 480 S HN 0.421 nan 8.310 nan 0.000 0.491 481 V N 5.676 125.613 119.914 0.037 0.000 2.398 481 V HA 0.477 4.597 4.120 0.000 0.000 0.286 481 V C 0.040 176.147 176.094 0.022 0.000 1.026 481 V CA -0.572 61.748 62.300 0.033 0.000 0.868 481 V CB 1.656 33.495 31.823 0.026 0.000 0.982 481 V HN 0.940 nan 8.190 nan 0.000 0.443 482 T N 4.329 118.895 114.554 0.019 0.000 2.906 482 T HA 0.670 5.020 4.350 0.000 0.000 0.302 482 T C 0.131 174.823 174.700 -0.015 0.000 1.002 482 T CA -0.217 61.887 62.100 0.006 0.000 0.988 482 T CB 1.528 70.403 68.868 0.012 0.000 0.972 482 T HN 0.900 nan 8.240 nan 0.000 0.447 483 A N 3.149 125.953 122.820 -0.026 0.000 2.272 483 A HA 0.779 5.099 4.320 0.000 0.000 0.275 483 A C -0.056 177.464 177.584 -0.106 0.000 1.096 483 A CA -0.534 51.473 52.037 -0.051 0.000 0.822 483 A CB 0.494 19.479 19.000 -0.026 0.000 1.088 483 A HN 0.648 nan 8.150 nan 0.000 0.495 484 E N 0.464 120.581 120.200 -0.138 0.000 2.292 484 E HA 0.277 4.627 4.350 0.000 0.000 0.272 484 E C -1.091 175.479 176.600 -0.049 0.000 0.881 484 E CA -0.481 55.814 56.400 -0.176 0.000 0.754 484 E CB 1.662 31.089 29.700 -0.454 0.000 1.201 484 E HN 0.718 nan 8.360 nan 0.000 0.425 485 E N 1.598 121.779 120.200 -0.031 0.000 2.392 485 E HA 0.066 4.416 4.350 0.000 0.000 0.264 485 E C -0.459 176.139 176.600 -0.003 0.000 1.024 485 E CA -0.273 56.116 56.400 -0.018 0.000 0.903 485 E CB 0.644 30.325 29.700 -0.033 0.000 0.963 485 E HN 0.244 nan 8.360 nan 0.000 0.432 486 D N 2.523 122.932 120.400 0.013 0.000 2.419 486 D HA 0.035 4.675 4.640 0.000 0.000 0.236 486 D C 0.514 176.796 176.300 -0.031 0.000 1.165 486 D CA 0.717 54.739 54.000 0.037 0.000 0.882 486 D CB 0.599 41.417 40.800 0.029 0.000 1.201 486 D HN 0.416 nan 8.370 nan 0.000 0.443 487 R N -0.846 119.635 120.500 -0.032 0.000 2.690 487 R HA 0.439 4.779 4.340 0.000 0.000 0.269 487 R C -1.692 174.579 176.300 -0.048 0.000 1.037 487 R CA -0.690 55.341 56.100 -0.115 0.000 0.877 487 R CB 0.884 30.997 30.300 -0.312 0.000 1.255 487 R HN 0.334 nan 8.270 nan 0.000 0.467 488 T N 2.332 116.836 114.554 -0.084 0.000 2.912 488 T HA 0.606 4.956 4.350 0.000 0.000 0.288 488 T C -0.554 174.086 174.700 -0.100 0.000 1.030 488 T CA -0.713 61.331 62.100 -0.094 0.000 1.020 488 T CB 1.249 70.053 68.868 -0.107 0.000 1.056 488 T HN 0.375 nan 8.240 nan 0.000 0.480 489 L N 2.260 123.389 121.223 -0.156 0.000 2.439 489 L HA 0.417 4.757 4.340 0.000 0.000 0.270 489 L C 0.634 177.327 176.870 -0.295 0.000 0.972 489 L CA -0.599 54.148 54.840 -0.154 0.000 0.836 489 L CB 2.172 44.194 42.059 -0.063 0.000 1.255 489 L HN 0.690 nan 8.230 nan 0.000 0.404 490 Q N 0.313 120.075 119.800 -0.064 0.000 2.481 490 Q HA 0.100 4.440 4.340 0.000 0.000 0.219 490 Q C 0.582 176.706 176.000 0.206 0.000 0.920 490 Q CA 0.415 56.234 55.803 0.027 0.000 0.915 490 Q CB 0.712 29.454 28.738 0.006 0.000 1.057 490 Q HN 0.780 nan 8.270 nan 0.000 0.581 491 T N -0.755 113.879 114.554 0.135 0.000 2.913 491 T HA 0.611 4.961 4.350 0.000 0.000 0.287 491 T C 0.210 174.978 174.700 0.114 0.000 1.008 491 T CA -0.566 61.591 62.100 0.096 0.000 1.067 491 T CB 1.365 70.258 68.868 0.043 0.000 0.996 491 T HN 0.228 nan 8.240 nan 0.000 0.513 492 A N 1.444 124.258 122.820 -0.009 0.000 2.567 492 A HA 0.550 4.870 4.320 0.000 0.000 0.240 492 A C 0.634 178.223 177.584 0.008 0.000 1.053 492 A CA 0.067 52.056 52.037 -0.080 0.000 0.755 492 A CB -1.138 17.805 19.000 -0.095 0.000 0.978 492 A HN 1.813 nan 8.150 nan 0.000 0.507 493 A N 1.607 124.441 122.820 0.022 0.000 2.597 493 A HA 0.617 4.937 4.320 0.000 0.000 0.292 493 A C -1.249 176.424 177.584 0.148 0.000 1.057 493 A CA -0.356 51.731 52.037 0.083 0.000 0.674 493 A CB 1.095 20.147 19.000 0.086 0.000 1.278 493 A HN 1.509 nan 8.150 nan 0.000 0.416 494 V N 1.516 121.536 119.914 0.176 0.000 2.398 494 V HA 0.433 4.553 4.120 0.000 0.000 0.282 494 V C -0.757 175.458 176.094 0.202 0.000 1.014 494 V CA -0.455 61.988 62.300 0.238 0.000 0.838 494 V CB 1.258 33.210 31.823 0.215 0.000 1.018 494 V HN 0.749 nan 8.190 nan 0.000 0.432 495 V N 7.455 127.525 119.914 0.260 0.000 2.347 495 V HA 0.405 4.525 4.120 0.000 0.000 0.280 495 V C -1.992 174.322 176.094 0.367 0.000 1.021 495 V CA -1.965 60.497 62.300 0.269 0.000 0.847 495 V CB 1.873 33.829 31.823 0.222 0.000 0.990 495 V HN 0.631 nan 8.190 nan 0.000 0.444 496 P HA 0.104 nan 4.420 nan 0.000 0.268 496 P C -0.231 177.297 177.300 0.380 0.000 1.204 496 P CA -0.224 63.015 63.100 0.233 0.000 0.768 496 P CB 0.568 32.351 31.700 0.138 0.000 0.842 497 F N 1.840 121.825 119.950 0.058 0.000 2.628 497 F HA 0.009 4.536 4.527 0.000 0.000 0.346 497 F C 2.112 177.948 175.800 0.061 0.000 1.188 497 F CA -0.147 57.881 58.000 0.047 0.000 1.376 497 F CB -0.744 38.196 39.000 -0.099 0.000 1.104 497 F HN 0.447 nan 8.300 nan 0.000 0.616 498 A N 1.429 124.355 122.820 0.176 0.000 1.933 498 A HA -0.144 4.176 4.320 0.000 0.000 0.218 498 A C 0.733 178.373 177.584 0.093 0.000 1.175 498 A CA 1.431 53.527 52.037 0.099 0.000 0.628 498 A CB -0.372 18.651 19.000 0.039 0.000 0.814 498 A HN 0.703 nan 8.150 nan 0.000 0.444 499 Q N -0.712 119.155 119.800 0.111 0.000 2.284 499 Q HA 0.506 4.846 4.340 0.000 0.000 0.269 499 Q C -1.582 174.477 176.000 0.097 0.000 1.026 499 Q CA -0.386 55.465 55.803 0.080 0.000 0.831 499 Q CB 1.751 30.516 28.738 0.045 0.000 1.322 499 Q HN 0.302 nan 8.270 nan 0.000 0.419 500 S N 3.305 119.026 115.700 0.035 0.000 2.681 500 S HA 0.676 5.146 4.470 0.000 0.000 0.299 500 S C -2.395 172.158 174.600 -0.078 0.000 1.113 500 S CA -0.979 57.189 58.200 -0.054 0.000 1.013 500 S CB 1.373 64.514 63.200 -0.099 0.000 1.076 500 S HN 0.572 nan 8.310 nan 0.000 0.534 501 P HA 0.198 nan 4.420 nan 0.000 0.273 501 P C -0.241 177.042 177.300 -0.027 0.000 1.250 501 P CA -0.362 62.680 63.100 -0.096 0.000 0.793 501 P CB 0.471 32.060 31.700 -0.185 0.000 1.011 502 S N -2.122 113.601 115.700 0.039 0.000 2.602 502 S HA 0.277 4.747 4.470 0.000 0.000 0.240 502 S C 0.525 175.189 174.600 0.107 0.000 0.992 502 S CA -0.327 57.909 58.200 0.059 0.000 0.971 502 S CB -0.622 62.611 63.200 0.056 0.000 0.855 502 S HN 0.663 nan 8.310 nan 0.000 0.481 503 S N 0.654 116.448 115.700 0.157 0.000 2.638 503 S HA 0.535 5.005 4.470 0.000 0.000 0.274 503 S C -0.815 173.931 174.600 0.243 0.000 1.157 503 S CA -1.069 57.274 58.200 0.239 0.000 0.826 503 S CB 1.145 64.581 63.200 0.392 0.000 1.139 503 S HN 0.123 nan 8.310 nan 0.000 0.474 504 K N 0.428 120.848 120.400 0.033 0.000 2.684 504 K HA 0.305 4.625 4.320 0.000 0.000 0.215 504 K C -1.347 174.900 176.600 -0.588 0.000 1.073 504 K CA 0.099 56.277 56.287 -0.183 0.000 1.197 504 K CB -0.406 31.903 32.500 -0.319 0.000 0.955 504 K HN 0.486 nan 8.250 nan 0.000 0.473 505 F N 1.834 121.889 119.950 0.176 0.000 2.532 505 F HA 0.350 4.877 4.527 0.000 0.000 0.365 505 F C -0.409 175.490 175.800 0.165 0.000 1.112 505 F CA -1.341 56.694 58.000 0.058 0.000 1.082 505 F CB 0.577 39.624 39.000 0.079 0.000 1.319 505 F HN -0.033 nan 8.300 nan 0.000 0.457 506 F N -0.148 119.888 119.950 0.144 0.000 2.773 506 F HA 0.856 5.383 4.527 0.000 0.000 0.314 506 F C -2.103 173.743 175.800 0.076 0.000 1.160 506 F CA -1.701 56.361 58.000 0.104 0.000 0.920 506 F CB 1.074 40.109 39.000 0.059 0.000 1.323 506 F HN -0.122 nan 8.300 nan 0.000 0.457 507 V N 2.584 122.706 119.914 0.348 0.000 2.444 507 V HA 0.557 4.677 4.120 0.000 0.000 0.294 507 V C -1.118 175.141 176.094 0.275 0.000 1.022 507 V CA -0.558 61.876 62.300 0.222 0.000 0.850 507 V CB 1.416 33.320 31.823 0.135 0.000 0.992 507 V HN 0.816 nan 8.190 nan 0.000 0.426 508 L N 6.086 127.457 121.223 0.247 0.000 2.296 508 L HA 0.858 5.198 4.340 0.000 0.000 0.286 508 L C 0.239 177.140 176.870 0.053 0.000 1.023 508 L CA 0.471 55.381 54.840 0.117 0.000 0.812 508 L CB 1.778 43.861 42.059 0.040 0.000 1.223 508 L HN 0.838 nan 8.230 nan 0.000 0.421 509 T N 2.643 117.217 114.554 0.034 0.000 2.863 509 T HA 0.986 5.336 4.350 0.000 0.000 0.285 509 T C -0.495 174.250 174.700 0.075 0.000 1.009 509 T CA -0.273 61.864 62.100 0.062 0.000 0.989 509 T CB 1.756 70.664 68.868 0.066 0.000 1.004 509 T HN 1.094 nan 8.240 nan 0.000 0.455 510 A N 2.145 125.055 122.820 0.150 0.000 2.597 510 A HA 0.684 5.004 4.320 0.000 0.000 0.292 510 A C -1.678 176.054 177.584 0.247 0.000 1.057 510 A CA -1.113 51.081 52.037 0.261 0.000 0.674 510 A CB 1.480 20.779 19.000 0.500 0.000 1.278 510 A HN 0.798 nan 8.150 nan 0.000 0.416 511 Q N 0.378 120.310 119.800 0.220 0.000 2.340 511 Q HA 0.642 4.982 4.340 0.000 0.000 0.268 511 Q C -1.743 174.271 176.000 0.024 0.000 1.031 511 Q CA -0.796 55.068 55.803 0.102 0.000 0.804 511 Q CB 2.394 31.163 28.738 0.052 0.000 1.286 511 Q HN 0.474 nan 8.270 nan 0.000 0.448 512 L N 2.363 123.502 121.223 -0.140 0.000 2.319 512 L HA 0.350 4.690 4.340 0.000 0.000 0.281 512 L C -0.460 176.012 176.870 -0.664 0.000 1.005 512 L CA -0.139 54.391 54.840 -0.516 0.000 0.828 512 L CB 1.649 43.319 42.059 -0.648 0.000 1.227 512 L HN 0.548 nan 8.230 nan 0.000 0.415 513 E N 3.060 122.893 120.200 -0.612 0.000 2.174 513 E HA 0.533 4.884 4.350 0.000 0.000 0.282 513 E C -1.228 175.063 176.600 -0.515 0.000 0.992 513 E CA -0.200 55.952 56.400 -0.412 0.000 0.803 513 E CB 1.078 30.649 29.700 -0.215 0.000 1.090 513 E HN 0.207 nan 8.360 nan 0.000 0.396 514 F N 3.990 123.928 119.950 -0.021 0.000 2.480 514 F HA 0.408 4.935 4.527 0.000 0.000 0.329 514 F C -1.905 173.878 175.800 -0.028 0.000 1.091 514 F CA -2.553 55.458 58.000 0.019 0.000 0.972 514 F CB 1.251 40.393 39.000 0.237 0.000 1.150 514 F HN 0.295 nan 8.300 nan 0.000 0.467 515 P HA 0.202 nan 4.420 nan 0.000 0.282 515 P C 0.005 177.285 177.300 -0.032 0.000 1.249 515 P CA -0.217 62.900 63.100 0.027 0.000 0.806 515 P CB 1.550 33.250 31.700 0.000 0.000 0.984 516 A N 3.015 125.813 122.820 -0.037 0.000 1.997 516 A HA -0.229 4.091 4.320 0.000 0.000 0.221 516 A C 2.107 179.612 177.584 -0.132 0.000 1.172 516 A CA 2.493 54.488 52.037 -0.071 0.000 0.645 516 A CB -1.705 17.275 19.000 -0.034 0.000 0.813 516 A HN 0.691 nan 8.150 nan 0.000 0.454 517 S N -0.674 114.960 115.700 -0.110 0.000 2.547 517 S HA 0.260 4.730 4.470 0.000 0.000 0.235 517 S C 1.705 176.189 174.600 -0.193 0.000 0.980 517 S CA 0.950 59.079 58.200 -0.118 0.000 0.941 517 S CB -0.343 62.815 63.200 -0.070 0.000 0.763 517 S HN 0.866 nan 8.310 nan 0.000 0.532 518 A N 2.175 124.804 122.820 -0.318 0.000 2.021 518 A HA 0.175 4.495 4.320 0.000 0.000 0.216 518 A C 2.311 179.360 177.584 -0.892 0.000 1.163 518 A CA 0.392 52.111 52.037 -0.529 0.000 0.676 518 A CB -0.413 18.240 19.000 -0.578 0.000 0.818 518 A HN 0.512 nan 8.150 nan 0.000 0.453 519 R N 0.621 120.591 120.500 -0.883 0.000 2.103 519 R HA -0.142 4.198 4.340 0.000 0.000 0.242 519 R C 2.169 178.332 176.300 -0.227 0.000 1.142 519 R CA 1.815 57.552 56.100 -0.605 0.000 0.960 519 R CB -0.417 29.735 30.300 -0.248 0.000 0.858 519 R HN 0.670 nan 8.270 nan 0.000 0.439 520 S N -0.058 115.533 115.700 -0.181 0.000 2.593 520 S HA 0.015 4.485 4.470 0.000 0.000 0.217 520 S C 0.799 175.358 174.600 -0.069 0.000 0.966 520 S CA -0.134 58.016 58.200 -0.085 0.000 0.914 520 S CB 0.077 63.238 63.200 -0.065 0.000 0.776 520 S HN 0.240 nan 8.310 nan 0.000 0.523 521 S N 0.987 116.630 115.700 -0.096 0.000 2.722 521 S HA 0.617 5.087 4.470 0.000 0.000 0.292 521 S C -2.842 171.751 174.600 -0.010 0.000 1.135 521 S CA -1.437 56.732 58.200 -0.052 0.000 1.003 521 S CB 0.996 64.161 63.200 -0.059 0.000 1.067 521 S HN 0.008 nan 8.310 nan 0.000 0.546 522 P HA 0.254 nan 4.420 nan 0.000 0.253 522 P C 0.117 177.409 177.300 -0.012 0.000 1.459 522 P CA -0.372 62.721 63.100 -0.011 0.000 0.908 522 P CB -0.258 31.426 31.700 -0.027 0.000 1.470 523 L N 0.516 121.754 121.223 0.025 0.000 2.543 523 L HA -0.039 4.301 4.340 0.000 0.000 0.285 523 L C -0.279 176.609 176.870 0.031 0.000 1.236 523 L CA 0.915 55.785 54.840 0.051 0.000 0.871 523 L CB 0.179 42.339 42.059 0.168 0.000 1.121 523 L HN 0.092 nan 8.230 nan 0.000 0.501 524 Q N 4.481 124.262 119.800 -0.031 0.000 2.295 524 Q HA 0.410 4.750 4.340 0.000 0.000 0.259 524 Q C -1.471 174.522 176.000 -0.011 0.000 0.966 524 Q CA -0.528 55.256 55.803 -0.032 0.000 0.763 524 Q CB 2.067 30.662 28.738 -0.238 0.000 1.283 524 Q HN 0.689 nan 8.270 nan 0.000 0.445 525 S N 0.496 116.371 115.700 0.291 0.000 2.536 525 S HA 0.953 5.423 4.470 0.000 0.000 0.287 525 S C -0.242 174.677 174.600 0.531 0.000 1.101 525 S CA -0.270 58.150 58.200 0.366 0.000 0.950 525 S CB 1.979 65.450 63.200 0.452 0.000 1.056 525 S HN 0.851 nan 8.310 nan 0.000 0.481 526 G N 1.341 110.453 108.800 0.520 0.000 2.586 526 G HA2 0.545 4.505 3.960 0.000 0.000 0.105 526 G HA3 0.545 4.505 3.960 0.000 0.000 0.105 526 G C -2.073 172.720 174.900 -0.179 0.000 1.129 526 G CA -0.431 44.862 45.100 0.322 0.000 1.127 526 G HN 0.497 nan 8.290 nan 0.000 0.532 527 F N 0.101 120.286 119.950 0.392 0.000 2.643 527 F HA 0.710 5.237 4.527 0.000 0.000 0.314 527 F C -0.387 175.455 175.800 0.071 0.000 1.096 527 F CA -0.696 57.398 58.000 0.156 0.000 0.953 527 F CB 2.576 41.567 39.000 -0.014 0.000 1.345 527 F HN 0.313 nan 8.300 nan 0.000 0.468 528 E N 2.351 122.653 120.200 0.171 0.000 2.185 528 E HA 0.551 4.901 4.350 0.000 0.000 0.261 528 E C -1.035 175.557 176.600 -0.015 0.000 0.879 528 E CA -0.463 55.963 56.400 0.042 0.000 0.756 528 E CB 1.684 31.387 29.700 0.005 0.000 1.152 528 E HN 0.551 nan 8.360 nan 0.000 0.416 529 I N -0.221 120.355 120.570 0.010 0.000 3.217 529 I HA 0.439 4.609 4.170 0.000 0.000 0.308 529 I C 0.171 176.312 176.117 0.039 0.000 1.091 529 I CA -1.136 60.166 61.300 0.003 0.000 1.013 529 I CB 0.982 39.051 38.000 0.114 0.000 1.250 529 I HN 0.551 nan 8.210 nan 0.000 0.496 530 L N 0.586 121.860 121.223 0.084 0.000 3.833 530 L HA -0.233 4.107 4.340 0.000 0.000 0.447 530 L C 0.134 177.042 176.870 0.064 0.000 1.213 530 L CA 0.431 55.329 54.840 0.096 0.000 0.801 530 L CB -1.689 40.430 42.059 0.100 0.000 1.676 530 L HN 0.827 nan 8.230 nan 0.000 0.883 531 A N 0.362 123.197 122.820 0.026 0.000 2.292 531 A HA 0.809 5.130 4.320 0.000 0.000 0.319 531 A C 0.347 177.946 177.584 0.025 0.000 1.206 531 A CA 0.400 52.450 52.037 0.022 0.000 0.835 531 A CB 1.385 20.382 19.000 -0.005 0.000 1.164 531 A HN 0.456 nan 8.150 nan 0.000 0.505 532 S N 0.571 116.291 115.700 0.034 0.000 2.732 532 S HA 0.448 4.919 4.470 0.000 0.000 0.293 532 S C 0.599 175.195 174.600 -0.006 0.000 1.159 532 S CA 0.015 58.217 58.200 0.004 0.000 0.847 532 S CB 1.278 64.474 63.200 -0.007 0.000 1.169 532 S HN 0.750 nan 8.310 nan 0.000 0.501 533 E N -0.354 119.822 120.200 -0.040 0.000 2.285 533 E HA 0.056 4.406 4.350 0.000 0.000 0.194 533 E C 0.874 177.458 176.600 -0.027 0.000 0.997 533 E CA 0.644 57.025 56.400 -0.031 0.000 0.845 533 E CB -0.194 29.479 29.700 -0.045 0.000 0.782 533 E HN 0.710 nan 8.360 nan 0.000 0.491 534 L N 0.605 121.801 121.223 -0.046 0.000 2.640 534 L HA 0.312 4.652 4.340 0.000 0.000 0.230 534 L C 0.056 176.977 176.870 0.084 0.000 1.123 534 L CA 0.134 54.981 54.840 0.012 0.000 0.900 534 L CB 0.208 42.268 42.059 0.001 0.000 1.146 534 L HN -0.039 nan 8.230 nan 0.000 0.484 535 E N 0.684 120.931 120.200 0.079 0.000 2.392 535 E HA 0.607 4.957 4.350 0.000 0.000 0.279 535 E C -1.033 175.605 176.600 0.062 0.000 0.964 535 E CA -0.856 55.605 56.400 0.102 0.000 0.777 535 E CB 2.828 32.642 29.700 0.189 0.000 1.249 535 E HN 0.090 nan 8.360 nan 0.000 0.449 536 R N -0.442 120.086 120.500 0.047 0.000 2.753 536 R HA 0.544 4.884 4.340 0.000 0.000 0.272 536 R C -1.774 174.532 176.300 0.010 0.000 1.034 536 R CA -0.773 55.341 56.100 0.023 0.000 0.869 536 R CB 1.568 31.868 30.300 0.001 0.000 1.264 536 R HN 0.369 nan 8.270 nan 0.000 0.481 537 T N 1.035 115.593 114.554 0.006 0.000 2.881 537 T HA 0.653 5.003 4.350 0.000 0.000 0.291 537 T C -0.945 173.755 174.700 0.000 0.000 0.990 537 T CA -0.445 61.653 62.100 -0.003 0.000 0.976 537 T CB 1.565 70.436 68.868 0.005 0.000 0.970 537 T HN 0.724 nan 8.240 nan 0.000 0.438 538 A N 3.949 126.762 122.820 -0.011 0.000 2.290 538 A HA 0.846 5.166 4.320 0.000 0.000 0.310 538 A C -0.360 177.254 177.584 0.049 0.000 1.202 538 A CA -0.629 51.416 52.037 0.013 0.000 0.837 538 A CB 0.192 19.173 19.000 -0.033 0.000 1.139 538 A HN 0.874 nan 8.150 nan 0.000 0.509 539 I N 3.656 124.313 120.570 0.144 0.000 2.476 539 I HA 0.442 4.612 4.170 0.000 0.000 0.281 539 I C -0.978 175.310 176.117 0.286 0.000 1.040 539 I CA -0.439 60.928 61.300 0.113 0.000 1.094 539 I CB 1.008 39.114 38.000 0.175 0.000 1.219 539 I HN 0.829 nan 8.210 nan 0.000 0.450 540 Y N 4.495 124.904 120.300 0.180 0.000 2.689 540 Y HA 0.624 5.174 4.550 0.000 0.000 0.333 540 Y C -1.753 174.258 175.900 0.185 0.000 1.190 540 Y CA -1.628 56.626 58.100 0.257 0.000 1.063 540 Y CB 1.065 39.743 38.460 0.363 0.000 1.294 540 Y HN 0.361 nan 8.280 nan 0.000 0.466 541 Y N 1.562 122.056 120.300 0.324 0.000 2.360 541 Y HA 0.534 5.084 4.550 0.000 0.000 0.337 541 Y C -0.794 175.124 175.900 0.030 0.000 1.039 541 Y CA -0.796 57.317 58.100 0.023 0.000 1.109 541 Y CB 1.799 40.195 38.460 -0.107 0.000 1.201 541 Y HN 0.726 nan 8.280 nan 0.000 0.458 542 Q N 5.411 124.760 119.800 -0.751 0.000 2.341 542 Q HA 0.227 4.567 4.340 0.000 0.000 0.268 542 Q C -0.299 175.204 176.000 -0.828 0.000 1.013 542 Q CA -0.510 55.001 55.803 -0.487 0.000 0.798 542 Q CB 1.206 29.818 28.738 -0.210 0.000 1.253 542 Q HN 0.898 nan 8.270 nan 0.000 0.457 543 F N 0.467 120.161 119.950 -0.425 0.000 2.325 543 F HA -0.186 4.341 4.527 0.000 0.000 0.299 543 F C 2.523 178.203 175.800 -0.201 0.000 1.090 543 F CA 1.322 59.153 58.000 -0.281 0.000 1.392 543 F CB 0.078 38.980 39.000 -0.163 0.000 1.053 543 F HN 0.575 nan 8.300 nan 0.000 0.521 544 S N 1.267 116.961 115.700 -0.011 0.000 2.365 544 S HA -0.259 4.211 4.470 0.000 0.000 0.225 544 S C 1.560 176.122 174.600 -0.063 0.000 1.039 544 S CA 1.830 60.015 58.200 -0.024 0.000 1.033 544 S CB -0.735 62.443 63.200 -0.036 0.000 0.887 544 S HN 0.566 nan 8.310 nan 0.000 0.447 545 N N 0.348 118.961 118.700 -0.145 0.000 2.159 545 N HA 0.104 4.845 4.740 0.000 0.000 0.217 545 N C -0.684 174.665 175.510 -0.267 0.000 1.223 545 N CA 0.443 53.387 53.050 -0.175 0.000 0.896 545 N CB -0.440 37.941 38.487 -0.176 0.000 1.064 545 N HN 0.653 nan 8.380 nan 0.000 0.518 546 E N 0.138 120.135 120.200 -0.339 0.000 2.305 546 E HA -0.127 4.223 4.350 0.000 0.000 0.242 546 E C -1.268 174.972 176.600 -0.600 0.000 1.143 546 E CA 0.607 56.733 56.400 -0.456 0.000 0.716 546 E CB -2.149 27.485 29.700 -0.110 0.000 1.255 546 E HN 0.631 nan 8.360 nan 0.000 0.391 547 S N -0.500 114.701 115.700 -0.832 0.000 2.572 547 S HA 0.602 5.072 4.470 0.000 0.000 0.274 547 S C -0.129 174.147 174.600 -0.541 0.000 1.150 547 S CA -1.058 56.792 58.200 -0.584 0.000 0.944 547 S CB 1.620 64.537 63.200 -0.471 0.000 1.071 547 S HN 0.238 nan 8.310 nan 0.000 0.479 548 L N 2.533 123.514 121.223 -0.404 0.000 2.416 548 L HA 0.481 4.821 4.340 0.000 0.000 0.272 548 L C -0.627 176.086 176.870 -0.262 0.000 1.161 548 L CA -0.345 54.344 54.840 -0.253 0.000 0.845 548 L CB 0.842 42.738 42.059 -0.273 0.000 1.119 548 L HN 0.553 nan 8.230 nan 0.000 0.464 549 V N 3.991 123.671 119.914 -0.390 0.000 2.735 549 V HA 0.382 4.502 4.120 0.000 0.000 0.310 549 V C -0.275 175.536 176.094 -0.471 0.000 1.061 549 V CA -0.666 61.338 62.300 -0.493 0.000 0.913 549 V CB 2.317 33.658 31.823 -0.803 0.000 1.005 549 V HN 0.374 nan 8.190 nan 0.000 0.428 550 V N 3.179 122.940 119.914 -0.256 0.000 2.284 550 V HA 0.320 4.440 4.120 0.000 0.000 0.274 550 V C -0.303 175.713 176.094 -0.131 0.000 1.023 550 V CA -0.478 61.725 62.300 -0.162 0.000 0.808 550 V CB 1.335 33.109 31.823 -0.081 0.000 1.035 550 V HN 0.910 nan 8.190 nan 0.000 0.445 551 D N 4.465 124.799 120.400 -0.111 0.000 2.325 551 D HA 0.225 4.865 4.640 0.000 0.000 0.251 551 D C 0.782 177.054 176.300 -0.047 0.000 1.196 551 D CA -0.193 53.785 54.000 -0.037 0.000 0.866 551 D CB 1.015 41.848 40.800 0.055 0.000 1.101 551 D HN 0.462 nan 8.370 nan 0.000 0.476 552 R N 1.707 122.166 120.500 -0.069 0.000 2.472 552 R HA 0.039 4.379 4.340 0.000 0.000 0.279 552 R C 1.887 178.142 176.300 -0.075 0.000 0.953 552 R CA -0.001 56.045 56.100 -0.090 0.000 1.088 552 R CB 0.337 30.540 30.300 -0.162 0.000 1.197 552 R HN 0.394 nan 8.270 nan 0.000 0.536 553 S N 0.645 116.317 115.700 -0.046 0.000 2.440 553 S HA -0.200 4.270 4.470 0.000 0.000 0.238 553 S C 1.500 176.084 174.600 -0.027 0.000 1.010 553 S CA 1.060 59.240 58.200 -0.033 0.000 0.972 553 S CB 0.022 63.215 63.200 -0.012 0.000 0.774 553 S HN 0.372 nan 8.310 nan 0.000 0.501 554 Q N -0.327 119.460 119.800 -0.021 0.000 2.139 554 Q HA 0.240 4.580 4.340 0.000 0.000 0.219 554 Q C 0.994 177.000 176.000 0.009 0.000 0.805 554 Q CA 0.090 55.891 55.803 -0.004 0.000 1.024 554 Q CB 0.591 29.328 28.738 -0.002 0.000 1.163 554 Q HN 0.495 nan 8.270 nan 0.000 0.485 555 T N 0.121 114.670 114.554 -0.009 0.000 2.708 555 T HA -0.092 4.258 4.350 0.000 0.000 0.266 555 T C 0.930 175.658 174.700 0.047 0.000 1.037 555 T CA 1.152 63.255 62.100 0.005 0.000 1.146 555 T CB 0.056 68.900 68.868 -0.040 0.000 0.865 555 T HN 0.039 nan 8.240 nan 0.000 0.435 556 S N -0.201 115.514 115.700 0.025 0.000 2.530 556 S HA 0.611 5.081 4.470 0.000 0.000 0.322 556 S C 1.032 175.666 174.600 0.056 0.000 1.085 556 S CA -0.431 57.814 58.200 0.074 0.000 1.096 556 S CB 1.121 64.338 63.200 0.028 0.000 0.988 556 S HN 0.330 nan 8.310 nan 0.000 0.466 557 A N 4.203 127.089 122.820 0.109 0.000 2.131 557 A HA 0.099 4.419 4.320 0.000 0.000 0.220 557 A C 1.972 179.488 177.584 -0.114 0.000 1.158 557 A CA 1.743 53.806 52.037 0.042 0.000 0.665 557 A CB -0.575 18.517 19.000 0.154 0.000 0.795 557 A HN 1.096 nan 8.150 nan 0.000 0.460 558 A N -1.004 121.734 122.820 -0.137 0.000 2.147 558 A HA 0.511 4.832 4.320 0.000 0.000 0.211 558 A C 2.237 179.739 177.584 -0.136 0.000 1.160 558 A CA 1.100 53.002 52.037 -0.225 0.000 0.781 558 A CB -0.528 18.327 19.000 -0.241 0.000 0.842 558 A HN 0.849 nan 8.150 nan 0.000 0.475 559 A N 1.130 123.897 122.820 -0.088 0.000 1.933 559 A HA -0.004 4.316 4.320 0.000 0.000 0.218 559 A C 0.143 177.675 177.584 -0.088 0.000 1.175 559 A CA 1.723 53.704 52.037 -0.093 0.000 0.628 559 A CB -1.524 17.423 19.000 -0.089 0.000 0.814 559 A HN 0.419 nan 8.150 nan 0.000 0.444 560 P HA -0.147 nan 4.420 nan 0.000 0.216 560 P C 1.392 178.647 177.300 -0.076 0.000 1.150 560 P CA 2.157 65.216 63.100 -0.068 0.000 0.843 560 P CB -0.169 31.495 31.700 -0.060 0.000 0.787 561 T N -6.405 108.091 114.554 -0.098 0.000 3.069 561 T HA 0.195 4.545 4.350 0.000 0.000 0.252 561 T C 0.353 174.989 174.700 -0.107 0.000 1.053 561 T CA -0.259 61.781 62.100 -0.100 0.000 0.964 561 T CB -0.770 68.029 68.868 -0.115 0.000 1.005 561 T HN -0.024 nan 8.240 nan 0.000 0.532 562 N N 2.587 121.219 118.700 -0.113 0.000 2.762 562 N HA 0.308 5.048 4.740 0.000 0.000 0.252 562 N C -2.232 173.216 175.510 -0.104 0.000 1.269 562 N CA -1.621 51.356 53.050 -0.122 0.000 0.799 562 N CB 1.997 40.391 38.487 -0.154 0.000 1.173 562 N HN 0.053 nan 8.380 nan 0.000 0.516 563 P HA -0.159 nan 4.420 nan 0.000 0.220 563 P C 1.373 178.647 177.300 -0.043 0.000 1.144 563 P CA 0.974 64.042 63.100 -0.054 0.000 0.800 563 P CB 0.282 31.960 31.700 -0.037 0.000 0.772 564 G N 0.074 108.844 108.800 -0.050 0.000 2.462 564 G HA2 -0.148 3.812 3.960 0.000 0.000 0.220 564 G HA3 -0.148 3.812 3.960 0.000 0.000 0.220 564 G C 0.638 175.578 174.900 0.067 0.000 1.121 564 G CA 0.225 45.336 45.100 0.018 0.000 0.758 564 G HN 0.217 nan 8.290 nan 0.000 0.559 565 L N 3.130 124.320 121.223 -0.055 0.000 2.356 565 L HA 0.213 4.553 4.340 0.000 0.000 0.282 565 L C -0.033 176.748 176.870 -0.148 0.000 1.132 565 L CA -1.017 53.757 54.840 -0.111 0.000 0.923 565 L CB 0.479 42.428 42.059 -0.184 0.000 1.278 565 L HN 0.227 nan 8.230 nan 0.000 0.436 566 D N 0.843 121.133 120.400 -0.184 0.000 2.455 566 D HA -0.019 4.621 4.640 0.000 0.000 0.241 566 D C 0.608 176.684 176.300 -0.374 0.000 1.138 566 D CA 0.054 53.901 54.000 -0.255 0.000 0.877 566 D CB 1.094 41.695 40.800 -0.332 0.000 1.187 566 D HN 0.453 nan 8.370 nan 0.000 0.451 567 S N 0.672 116.187 115.700 -0.310 0.000 2.846 567 S HA 0.167 4.637 4.470 0.000 0.000 0.249 567 S C 0.383 174.836 174.600 -0.245 0.000 1.028 567 S CA -0.975 57.060 58.200 -0.276 0.000 1.043 567 S CB -0.744 62.372 63.200 -0.140 0.000 0.990 567 S HN 0.433 nan 8.310 nan 0.000 0.564 568 F N 2.032 121.906 119.950 -0.126 0.000 2.485 568 F HA 0.651 5.178 4.527 0.000 0.000 0.327 568 F C 0.374 176.117 175.800 -0.095 0.000 1.203 568 F CA -0.829 57.102 58.000 -0.116 0.000 1.295 568 F CB -0.856 38.048 39.000 -0.160 0.000 1.191 568 F HN -0.139 nan 8.300 nan 0.000 0.588 569 T N 2.257 116.948 114.554 0.228 0.000 2.919 569 T HA 0.172 4.522 4.350 0.000 0.000 0.302 569 T C -0.203 174.625 174.700 0.213 0.000 1.031 569 T CA -0.389 61.785 62.100 0.123 0.000 1.127 569 T CB 0.285 69.197 68.868 0.073 0.000 0.952 569 T HN 0.505 nan 8.240 nan 0.000 0.540 570 E N 1.560 121.811 120.200 0.086 0.000 2.244 570 E HA 0.651 5.002 4.350 0.000 0.000 0.266 570 E C -0.575 176.038 176.600 0.022 0.000 0.914 570 E CA -0.745 55.727 56.400 0.119 0.000 0.794 570 E CB 2.122 31.866 29.700 0.074 0.000 1.210 570 E HN 0.757 nan 8.360 nan 0.000 0.414 571 S N -0.435 115.284 115.700 0.032 0.000 2.586 571 S HA 0.702 5.172 4.470 0.000 0.000 0.277 571 S C -0.680 173.839 174.600 -0.136 0.000 1.131 571 S CA -0.849 57.306 58.200 -0.075 0.000 0.848 571 S CB 1.526 64.637 63.200 -0.149 0.000 1.091 571 S HN 0.615 nan 8.310 nan 0.000 0.453 572 G N 0.956 109.554 108.800 -0.336 0.000 2.667 572 G HA2 0.619 4.579 3.960 0.000 0.000 0.298 572 G HA3 0.619 4.579 3.960 0.000 0.000 0.298 572 G C -1.504 172.686 174.900 -1.182 0.000 1.377 572 G CA -0.934 43.447 45.100 -1.198 0.000 0.964 572 G HN 0.584 nan 8.290 nan 0.000 0.493 573 K N 0.773 120.073 120.400 -1.835 0.000 2.349 573 K HA 0.291 4.611 4.320 0.000 0.000 0.288 573 K C -0.992 175.532 176.600 -0.127 0.000 1.058 573 K CA -0.439 55.398 56.287 -0.750 0.000 0.953 573 K CB 1.794 33.887 32.500 -0.679 0.000 0.997 573 K HN 0.313 nan 8.250 nan 0.000 0.477 574 L N 3.401 124.581 121.223 -0.073 0.000 2.457 574 L HA 0.313 4.653 4.340 0.000 0.000 0.266 574 L C -0.534 176.419 176.870 0.138 0.000 0.979 574 L CA -0.449 54.431 54.840 0.066 0.000 0.857 574 L CB 1.350 43.199 42.059 -0.351 0.000 1.213 574 L HN 0.541 nan 8.230 nan 0.000 0.418 575 R N 4.921 125.526 120.500 0.175 0.000 2.297 575 R HA 0.644 4.984 4.340 0.000 0.000 0.308 575 R C -1.423 174.593 176.300 -0.473 0.000 1.029 575 R CA -0.495 55.544 56.100 -0.102 0.000 0.929 575 R CB 0.752 30.927 30.300 -0.210 0.000 1.046 575 R HN 0.771 nan 8.270 nan 0.000 0.461 576 L N 5.905 126.932 121.223 -0.327 0.000 2.262 576 L HA 0.390 4.730 4.340 0.000 0.000 0.288 576 L C -0.698 176.028 176.870 -0.240 0.000 1.035 576 L CA -0.682 54.002 54.840 -0.260 0.000 0.820 576 L CB 0.743 42.738 42.059 -0.108 0.000 1.204 576 L HN 0.553 nan 8.230 nan 0.000 0.424 577 F N 0.980 120.913 119.950 -0.029 0.000 2.382 577 F HA 0.195 4.722 4.527 0.000 0.000 0.331 577 F C 0.992 176.791 175.800 -0.001 0.000 1.121 577 F CA -0.526 57.449 58.000 -0.042 0.000 1.183 577 F CB 0.468 39.387 39.000 -0.135 0.000 1.207 577 F HN 0.406 nan 8.300 nan 0.000 0.555 578 D N 1.763 122.298 120.400 0.225 0.000 2.351 578 D HA 0.386 5.026 4.640 0.000 0.000 0.251 578 D C -0.091 176.268 176.300 0.099 0.000 1.137 578 D CA 0.339 54.415 54.000 0.127 0.000 0.879 578 D CB 1.293 42.152 40.800 0.098 0.000 1.181 578 D HN 0.338 nan 8.370 nan 0.000 0.448 579 V N -0.991 118.966 119.914 0.071 0.000 3.165 579 V HA 0.562 4.682 4.120 0.000 0.000 0.309 579 V C -0.929 175.182 176.094 0.029 0.000 1.267 579 V CA -1.033 61.294 62.300 0.045 0.000 1.067 579 V CB 2.272 34.124 31.823 0.048 0.000 1.082 579 V HN 0.194 nan 8.190 nan 0.000 0.451 580 I N 1.446 122.027 120.570 0.018 0.000 2.359 580 I HA 0.532 4.702 4.170 0.000 0.000 0.284 580 I C 0.601 176.725 176.117 0.011 0.000 1.018 580 I CA 0.069 61.377 61.300 0.013 0.000 1.173 580 I CB 0.705 38.709 38.000 0.007 0.000 1.326 580 I HN 1.068 nan 8.210 nan 0.000 0.462 581 E N 4.941 125.147 120.200 0.011 0.000 2.045 581 E HA 0.053 4.403 4.350 0.000 0.000 0.195 581 E C 1.020 177.624 176.600 0.006 0.000 0.953 581 E CA 0.427 56.833 56.400 0.009 0.000 0.859 581 E CB 0.439 30.144 29.700 0.009 0.000 0.854 581 E HN 0.494 nan 8.360 nan 0.000 0.471 582 N N -0.785 117.917 118.700 0.004 0.000 2.412 582 N HA 0.079 4.819 4.740 0.000 0.000 0.184 582 N C 0.371 175.882 175.510 0.002 0.000 1.101 582 N CA 1.016 54.068 53.050 0.002 0.000 0.881 582 N CB 1.575 40.062 38.487 0.000 0.000 0.969 582 N HN 0.387 nan 8.380 nan 0.000 0.459 583 G N 0.336 109.138 108.800 0.003 0.000 2.276 583 G HA2 -0.149 3.811 3.960 0.000 0.000 0.177 583 G HA3 -0.149 3.811 3.960 0.000 0.000 0.177 583 G C -0.238 174.664 174.900 0.003 0.000 1.017 583 G CA -0.443 44.659 45.100 0.003 0.000 0.750 583 G HN 0.337 nan 8.290 nan 0.000 0.506 584 Q N -0.057 119.745 119.800 0.004 0.000 2.528 584 Q HA 0.613 4.953 4.340 0.000 0.000 0.289 584 Q C -0.937 175.068 176.000 0.008 0.000 1.091 584 Q CA -0.781 55.025 55.803 0.005 0.000 0.797 584 Q CB 1.873 30.612 28.738 0.002 0.000 1.466 584 Q HN 0.244 nan 8.270 nan 0.000 0.436 585 E N 0.893 121.099 120.200 0.010 0.000 2.319 585 E HA 0.248 4.598 4.350 0.000 0.000 0.268 585 E C -1.379 175.232 176.600 0.017 0.000 1.050 585 E CA -0.067 56.343 56.400 0.016 0.000 0.878 585 E CB 1.020 30.730 29.700 0.017 0.000 1.066 585 E HN 0.560 nan 8.360 nan 0.000 0.406 586 Q N 0.246 120.063 119.800 0.027 0.000 2.702 586 Q HA 0.324 4.664 4.340 0.000 0.000 0.289 586 Q C -1.665 174.366 176.000 0.052 0.000 0.923 586 Q CA -0.956 54.865 55.803 0.031 0.000 0.787 586 Q CB 0.944 29.695 28.738 0.022 0.000 1.476 586 Q HN 0.289 nan 8.270 nan 0.000 0.402 587 V N 1.861 121.816 119.914 0.068 0.000 2.521 587 V HA 0.061 4.181 4.120 0.000 0.000 0.286 587 V C 0.446 176.600 176.094 0.100 0.000 1.034 587 V CA 0.089 62.454 62.300 0.109 0.000 1.045 587 V CB 0.838 32.767 31.823 0.175 0.000 0.974 587 V HN 0.842 nan 8.190 nan 0.000 0.480 588 E N 3.548 123.803 120.200 0.093 0.000 2.568 588 E HA -0.066 4.284 4.350 0.000 0.000 0.262 588 E C -0.068 176.556 176.600 0.041 0.000 0.961 588 E CA -0.146 56.292 56.400 0.064 0.000 0.945 588 E CB 0.457 30.197 29.700 0.067 0.000 0.924 588 E HN 0.751 nan 8.360 nan 0.000 0.467 589 T N 4.745 119.309 114.554 0.016 0.000 2.916 589 T HA 0.087 4.437 4.350 0.000 0.000 0.303 589 T C -0.070 174.611 174.700 -0.032 0.000 1.025 589 T CA -0.395 61.695 62.100 -0.017 0.000 1.142 589 T CB 0.353 69.211 68.868 -0.017 0.000 0.947 589 T HN 0.376 nan 8.240 nan 0.000 0.544 590 L N 3.980 125.161 121.223 -0.069 0.000 2.295 590 L HA 0.374 4.714 4.340 0.000 0.000 0.288 590 L C -0.294 176.569 176.870 -0.012 0.000 1.079 590 L CA -0.383 54.408 54.840 -0.082 0.000 0.830 590 L CB 0.298 42.288 42.059 -0.115 0.000 1.200 590 L HN 0.494 nan 8.230 nan 0.000 0.438 591 D N 4.837 125.250 120.400 0.021 0.000 2.443 591 D HA 0.346 4.986 4.640 0.000 0.000 0.221 591 D C -0.764 175.603 176.300 0.111 0.000 1.097 591 D CA -0.057 53.984 54.000 0.068 0.000 0.865 591 D CB 0.465 41.303 40.800 0.063 0.000 1.034 591 D HN 0.512 nan 8.370 nan 0.000 0.511 592 L N 2.819 124.132 121.223 0.149 0.000 2.334 592 L HA 0.580 4.920 4.340 0.000 0.000 0.275 592 L C -0.020 176.959 176.870 0.182 0.000 1.036 592 L CA -0.522 54.434 54.840 0.193 0.000 0.807 592 L CB 1.984 44.195 42.059 0.253 0.000 1.231 592 L HN 0.302 nan 8.230 nan 0.000 0.438 593 T N 1.798 116.482 114.554 0.216 0.000 3.170 593 T HA 0.354 4.704 4.350 0.000 0.000 0.315 593 T C -0.711 174.145 174.700 0.260 0.000 0.967 593 T CA -0.376 61.839 62.100 0.191 0.000 1.024 593 T CB 1.523 70.475 68.868 0.140 0.000 1.018 593 T HN 0.142 nan 8.240 nan 0.000 0.449 594 V N 3.933 123.959 119.914 0.187 0.000 2.357 594 V HA 0.462 4.582 4.120 0.000 0.000 0.284 594 V C 0.007 176.168 176.094 0.112 0.000 1.018 594 V CA -0.795 61.606 62.300 0.170 0.000 0.841 594 V CB 1.632 33.528 31.823 0.122 0.000 0.991 594 V HN 0.704 nan 8.190 nan 0.000 0.437 595 V N 5.898 125.888 119.914 0.127 0.000 2.383 595 V HA 0.391 4.511 4.120 0.000 0.000 0.275 595 V C -0.014 176.022 176.094 -0.097 0.000 1.036 595 V CA -0.497 61.828 62.300 0.042 0.000 0.889 595 V CB 1.674 33.583 31.823 0.144 0.000 0.985 595 V HN 0.597 nan 8.190 nan 0.000 0.459 596 V N 4.135 123.839 119.914 -0.351 0.000 2.313 596 V HA 0.357 4.477 4.120 0.000 0.000 0.278 596 V C -0.303 175.555 176.094 -0.393 0.000 1.017 596 V CA -0.414 61.576 62.300 -0.516 0.000 0.823 596 V CB 1.476 32.622 31.823 -1.127 0.000 1.010 596 V HN 0.822 nan 8.190 nan 0.000 0.443 597 D N 5.035 125.320 120.400 -0.191 0.000 2.443 597 D HA 0.217 4.857 4.640 0.000 0.000 0.221 597 D C 1.074 177.271 176.300 -0.171 0.000 1.097 597 D CA 0.076 54.042 54.000 -0.055 0.000 0.865 597 D CB 0.735 41.587 40.800 0.085 0.000 1.034 597 D HN 0.497 nan 8.370 nan 0.000 0.511 598 N N 3.361 121.820 118.700 -0.402 0.000 1.770 598 N HA -0.400 4.340 4.740 0.000 0.000 0.139 598 N C 0.937 176.367 175.510 -0.134 0.000 0.246 598 N CA 3.150 55.914 53.050 -0.477 0.000 1.362 598 N CB -0.695 37.678 38.487 -0.190 0.000 1.285 598 N HN 0.496 nan 8.380 nan 0.000 0.429 599 A N -0.151 122.719 122.820 0.084 0.000 2.220 599 A HA 0.381 4.701 4.320 0.000 0.000 0.211 599 A C 0.494 178.075 177.584 -0.006 0.000 1.176 599 A CA 0.240 52.369 52.037 0.152 0.000 0.834 599 A CB 0.413 19.651 19.000 0.396 0.000 0.868 599 A HN 0.178 nan 8.150 nan 0.000 0.488 600 V N 1.672 121.469 119.914 -0.196 0.000 2.408 600 V HA 0.285 4.405 4.120 0.000 0.000 0.267 600 V C -0.408 175.471 176.094 -0.359 0.000 1.047 600 V CA -0.124 61.862 62.300 -0.524 0.000 0.937 600 V CB 0.951 32.298 31.823 -0.793 0.000 0.999 600 V HN 0.126 nan 8.190 nan 0.000 0.472 601 V N 5.359 125.081 119.914 -0.321 0.000 2.448 601 V HA 0.468 4.588 4.120 0.000 0.000 0.295 601 V C -0.124 175.874 176.094 -0.159 0.000 1.025 601 V CA -0.643 61.537 62.300 -0.199 0.000 0.859 601 V CB 1.810 33.543 31.823 -0.151 0.000 0.988 601 V HN 0.911 nan 8.190 nan 0.000 0.431 602 E N 3.314 123.471 120.200 -0.071 0.000 2.191 602 E HA 0.533 4.883 4.350 0.000 0.000 0.263 602 E C -1.427 175.153 176.600 -0.032 0.000 0.881 602 E CA -0.594 55.756 56.400 -0.084 0.000 0.757 602 E CB 2.621 32.332 29.700 0.017 0.000 1.147 602 E HN 0.435 nan 8.360 nan 0.000 0.414 603 V N 4.340 124.200 119.914 -0.090 0.000 2.328 603 V HA 0.276 4.396 4.120 0.000 0.000 0.278 603 V C -0.939 175.189 176.094 0.057 0.000 1.021 603 V CA -0.602 61.744 62.300 0.077 0.000 0.838 603 V CB -0.096 31.825 31.823 0.162 0.000 0.999 603 V HN 0.583 nan 8.190 nan 0.000 0.447 604 Y N 2.677 123.114 120.300 0.229 0.000 2.387 604 Y HA 0.778 5.328 4.550 0.000 0.000 0.336 604 Y C 0.391 176.461 175.900 0.285 0.000 1.067 604 Y CA -0.558 57.699 58.100 0.262 0.000 1.114 604 Y CB 2.097 40.652 38.460 0.158 0.000 1.208 604 Y HN 0.682 nan 8.280 nan 0.000 0.458 605 A N 2.179 125.296 122.820 0.494 0.000 2.459 605 A HA 0.406 4.726 4.320 0.000 0.000 0.296 605 A C -0.367 177.374 177.584 0.261 0.000 1.039 605 A CA -0.983 51.227 52.037 0.288 0.000 0.698 605 A CB 0.545 19.596 19.000 0.084 0.000 1.261 605 A HN 1.004 nan 8.150 nan 0.000 0.405 606 N N 1.274 120.074 118.700 0.166 0.000 2.708 606 N HA -0.274 4.466 4.740 0.000 0.000 0.251 606 N C 1.061 176.669 175.510 0.163 0.000 1.017 606 N CA 1.022 54.154 53.050 0.137 0.000 0.742 606 N CB -0.674 37.877 38.487 0.107 0.000 0.943 606 N HN 2.076 nan 8.380 nan 0.000 0.539 607 G N 0.551 109.455 108.800 0.173 0.000 2.225 607 G HA2 -0.371 3.589 3.960 0.000 0.000 0.272 607 G HA3 -0.371 3.589 3.960 0.000 0.000 0.272 607 G C 0.396 175.394 174.900 0.164 0.000 0.996 607 G CA 1.310 46.495 45.100 0.143 0.000 0.710 607 G HN 0.821 nan 8.290 nan 0.000 0.522 608 R N -2.531 118.113 120.500 0.240 0.000 2.533 608 R HA 0.650 4.991 4.340 0.000 0.000 0.268 608 R C -0.583 175.992 176.300 0.458 0.000 1.303 608 R CA -0.745 55.523 56.100 0.279 0.000 1.429 608 R CB -0.199 30.247 30.300 0.245 0.000 1.361 608 R HN 0.626 nan 8.270 nan 0.000 0.745 609 F N 0.854 120.967 119.950 0.272 0.000 2.690 609 F HA 0.702 5.229 4.527 0.000 0.000 0.311 609 F C -2.005 173.927 175.800 0.220 0.000 1.111 609 F CA -0.423 57.763 58.000 0.309 0.000 1.003 609 F CB 1.937 41.091 39.000 0.257 0.000 1.283 609 F HN 0.290 nan 8.300 nan 0.000 0.442 610 A N 5.107 127.618 122.820 -0.515 0.000 2.437 610 A HA 0.762 5.082 4.320 0.000 0.000 0.293 610 A C -2.661 174.586 177.584 -0.561 0.000 1.038 610 A CA -0.523 51.226 52.037 -0.480 0.000 0.708 610 A CB 1.660 20.478 19.000 -0.303 0.000 1.251 610 A HN 1.140 nan 8.150 nan 0.000 0.409 611 L N 2.074 123.085 121.223 -0.352 0.000 2.446 611 L HA 0.743 5.083 4.340 0.000 0.000 0.268 611 L C -0.843 175.964 176.870 -0.105 0.000 0.975 611 L CA 0.113 54.871 54.840 -0.135 0.000 0.848 611 L CB 1.730 43.816 42.059 0.045 0.000 1.225 611 L HN 0.529 nan 8.230 nan 0.000 0.410 612 S N 2.580 118.222 115.700 -0.098 0.000 2.532 612 S HA 0.926 5.396 4.470 0.000 0.000 0.301 612 S C -0.443 174.074 174.600 -0.139 0.000 1.083 612 S CA -0.512 57.602 58.200 -0.142 0.000 1.025 612 S CB 1.973 65.074 63.200 -0.165 0.000 1.056 612 S HN 0.798 nan 8.310 nan 0.000 0.494 613 T N 0.441 114.859 114.554 -0.227 0.000 2.718 613 T HA 0.530 4.880 4.350 0.000 0.000 0.306 613 T C -2.193 172.291 174.700 -0.359 0.000 1.485 613 T CA -0.648 61.315 62.100 -0.229 0.000 0.997 613 T CB 0.398 69.197 68.868 -0.114 0.000 1.504 613 T HN 0.567 nan 8.240 nan 0.000 0.497 614 W N 1.722 122.890 121.300 -0.220 0.000 2.335 614 W HA 0.690 5.350 4.660 0.000 0.000 0.307 614 W C 0.125 176.480 176.519 -0.274 0.000 1.117 614 W CA -0.682 56.508 57.345 -0.258 0.000 1.228 614 W CB 1.309 30.572 29.460 -0.329 0.000 1.240 614 W HN 0.775 nan 8.180 nan 0.000 0.468 615 A N 4.496 127.309 122.820 -0.011 0.000 2.786 615 A HA 0.435 4.756 4.320 0.000 0.000 0.346 615 A C 0.049 177.580 177.584 -0.089 0.000 1.265 615 A CA -0.855 51.142 52.037 -0.068 0.000 0.858 615 A CB -0.002 18.963 19.000 -0.057 0.000 1.118 615 A HN 0.717 nan 8.150 nan 0.000 0.482 616 R N 2.108 122.455 120.500 -0.255 0.000 4.154 616 R HA 0.129 4.469 4.340 0.000 0.000 0.186 616 R C 0.437 176.731 176.300 -0.011 0.000 1.750 616 R CA 0.160 55.931 56.100 -0.548 0.000 1.431 616 R CB -0.215 29.232 30.300 -1.423 0.000 1.383 616 R HN 0.765 nan 8.270 nan 0.000 0.788 617 S N -0.031 115.781 115.700 0.186 0.000 2.576 617 S HA 0.007 4.478 4.470 0.000 0.000 0.272 617 S C 0.533 175.438 174.600 0.509 0.000 1.352 617 S CA -0.754 57.621 58.200 0.291 0.000 1.021 617 S CB 1.205 64.531 63.200 0.210 0.000 0.887 617 S HN 0.697 nan 8.310 nan 0.000 0.542 618 W N 0.944 122.371 121.300 0.212 0.000 2.922 618 W HA 0.224 4.884 4.660 0.000 0.000 0.260 618 W C -0.623 175.880 176.519 -0.026 0.000 1.088 618 W CA -0.283 57.108 57.345 0.078 0.000 1.694 618 W CB -0.203 29.194 29.460 -0.105 0.000 1.064 618 W HN 0.688 nan 8.180 nan 0.000 0.611 619 Y N 3.543 123.992 120.300 0.249 0.000 2.497 619 Y HA -0.021 4.529 4.550 0.000 0.000 0.334 619 Y C 1.709 177.611 175.900 0.003 0.000 1.199 619 Y CA 0.674 58.836 58.100 0.102 0.000 1.425 619 Y CB 0.405 38.984 38.460 0.199 0.000 1.291 619 Y HN -0.059 nan 8.280 nan 0.000 0.562 620 D N 0.872 121.344 120.400 0.120 0.000 2.264 620 D HA -0.158 4.482 4.640 0.000 0.000 0.208 620 D C 1.108 177.470 176.300 0.105 0.000 0.966 620 D CA 0.951 54.991 54.000 0.067 0.000 0.864 620 D CB 0.019 40.840 40.800 0.036 0.000 0.933 620 D HN 0.567 nan 8.370 nan 0.000 0.499 621 N N 0.374 119.159 118.700 0.143 0.000 2.457 621 N HA -0.040 4.700 4.740 0.000 0.000 0.180 621 N C 0.116 175.676 175.510 0.082 0.000 1.050 621 N CA 0.231 53.335 53.050 0.089 0.000 0.906 621 N CB 0.037 38.552 38.487 0.048 0.000 0.968 621 N HN -0.098 nan 8.380 nan 0.000 0.445 622 S N 0.519 116.300 115.700 0.134 0.000 3.455 622 S HA 0.097 4.567 4.470 0.000 0.000 0.288 622 S C 1.111 175.768 174.600 0.094 0.000 1.231 622 S CA 0.061 58.336 58.200 0.125 0.000 1.031 622 S CB -0.350 62.969 63.200 0.199 0.000 1.570 622 S HN 0.469 nan 8.310 nan 0.000 0.519 623 T N -1.727 112.858 114.554 0.052 0.000 3.412 623 T HA 0.129 4.479 4.350 0.000 0.000 0.305 623 T C 0.027 174.690 174.700 -0.063 0.000 0.892 623 T CA -0.458 61.656 62.100 0.023 0.000 0.936 623 T CB 0.024 68.915 68.868 0.037 0.000 1.202 623 T HN 0.322 nan 8.240 nan 0.000 0.621 624 Q N 1.068 120.833 119.800 -0.058 0.000 2.373 624 Q HA 0.489 4.829 4.340 0.000 0.000 0.255 624 Q C -0.409 175.474 176.000 -0.195 0.000 0.980 624 Q CA 0.240 55.981 55.803 -0.103 0.000 0.882 624 Q CB 1.451 30.159 28.738 -0.049 0.000 1.249 624 Q HN 0.566 nan 8.270 nan 0.000 0.438 625 I N 2.405 122.776 120.570 -0.332 0.000 2.509 625 I HA 0.435 4.605 4.170 0.000 0.000 0.293 625 I C -0.342 175.420 176.117 -0.592 0.000 1.020 625 I CA -0.648 60.288 61.300 -0.607 0.000 1.088 625 I CB 1.763 39.090 38.000 -1.123 0.000 1.267 625 I HN 0.388 nan 8.210 nan 0.000 0.430 626 R N 4.233 124.500 120.500 -0.389 0.000 2.795 626 R HA 0.561 4.901 4.340 0.000 0.000 0.275 626 R C -1.411 174.932 176.300 0.071 0.000 0.981 626 R CA -0.764 55.293 56.100 -0.071 0.000 0.917 626 R CB 2.077 32.419 30.300 0.070 0.000 1.202 626 R HN 0.256 nan 8.270 nan 0.000 0.469 627 F N 1.678 121.757 119.950 0.215 0.000 2.429 627 F HA 0.333 4.860 4.527 0.000 0.000 0.348 627 F C -0.005 175.858 175.800 0.106 0.000 1.109 627 F CA 0.235 58.231 58.000 -0.006 0.000 1.232 627 F CB 0.664 39.568 39.000 -0.160 0.000 1.157 627 F HN 0.317 nan 8.300 nan 0.000 0.564 628 F N 3.529 123.542 119.950 0.106 0.000 2.561 628 F HA 0.491 5.018 4.527 0.000 0.000 0.313 628 F C -1.468 174.504 175.800 0.287 0.000 1.126 628 F CA -0.692 57.407 58.000 0.166 0.000 0.918 628 F CB 0.998 40.064 39.000 0.109 0.000 1.199 628 F HN 0.499 nan 8.300 nan 0.000 0.444 629 H N 4.655 123.286 119.070 -0.732 0.000 2.865 629 H HA 0.316 4.872 4.556 0.000 0.000 0.362 629 H C -0.541 174.307 175.328 -0.800 0.000 1.114 629 H CA -0.935 54.713 56.048 -0.665 0.000 1.208 629 H CB 1.314 30.975 29.762 -0.168 0.000 1.727 629 H HN 0.549 nan 8.280 nan 0.000 0.534 630 N N 2.985 120.973 118.700 -1.188 0.000 2.276 630 N HA 0.143 4.883 4.740 0.000 0.000 0.212 630 N C 1.160 176.290 175.510 -0.633 0.000 1.127 630 N CA 0.525 53.137 53.050 -0.730 0.000 0.834 630 N CB 0.231 38.448 38.487 -0.449 0.000 1.014 630 N HN 0.970 nan 8.380 nan 0.000 0.491 631 G N 0.103 108.292 108.800 -1.018 0.000 2.284 631 G HA2 -0.289 3.671 3.960 0.000 0.000 0.261 631 G HA3 -0.289 3.671 3.960 0.000 0.000 0.261 631 G C -0.283 174.473 174.900 -0.240 0.000 0.997 631 G CA 0.274 45.108 45.100 -0.443 0.000 0.621 631 G HN 0.433 nan 8.290 nan 0.000 0.534 632 E N 1.718 121.734 120.200 -0.306 0.000 2.070 632 E HA 0.502 4.852 4.350 0.000 0.000 0.282 632 E C 1.021 177.646 176.600 0.042 0.000 1.104 632 E CA 0.911 57.253 56.400 -0.097 0.000 0.876 632 E CB 0.370 30.012 29.700 -0.097 0.000 1.055 632 E HN 1.640 nan 8.360 nan 0.000 0.401 633 G N 3.247 112.103 108.800 0.092 0.000 2.660 633 G HA2 -0.229 3.731 3.960 0.000 0.000 0.215 633 G HA3 -0.229 3.731 3.960 0.000 0.000 0.215 633 G C -0.631 174.399 174.900 0.216 0.000 1.345 633 G CA -0.306 44.871 45.100 0.129 0.000 0.877 633 G HN 0.519 nan 8.290 nan 0.000 0.549 634 E N -1.837 118.437 120.200 0.125 0.000 2.314 634 E HA 0.636 4.986 4.350 0.000 0.000 0.272 634 E C -1.373 175.196 176.600 -0.051 0.000 0.884 634 E CA -0.765 55.610 56.400 -0.042 0.000 0.753 634 E CB 2.424 32.099 29.700 -0.042 0.000 1.213 634 E HN 1.338 nan 8.360 nan 0.000 0.432 635 V N 3.463 123.188 119.914 -0.315 0.000 2.841 635 V HA 0.408 4.528 4.120 0.000 0.000 0.310 635 V C -1.691 174.083 176.094 -0.533 0.000 1.090 635 V CA -0.392 61.655 62.300 -0.421 0.000 0.930 635 V CB 2.058 33.588 31.823 -0.488 0.000 1.014 635 V HN 0.764 nan 8.190 nan 0.000 0.425 636 Q N 5.399 124.857 119.800 -0.569 0.000 2.348 636 Q HA 0.490 4.830 4.340 0.000 0.000 0.265 636 Q C -1.639 174.084 176.000 -0.461 0.000 0.998 636 Q CA -0.314 55.251 55.803 -0.397 0.000 0.831 636 Q CB 2.232 30.826 28.738 -0.241 0.000 1.251 636 Q HN 0.687 nan 8.270 nan 0.000 0.456 637 F N 2.729 122.618 119.950 -0.102 0.000 2.411 637 F HA 0.380 4.908 4.527 0.000 0.000 0.355 637 F C 0.527 176.351 175.800 0.039 0.000 1.117 637 F CA -0.394 57.627 58.000 0.035 0.000 1.139 637 F CB 0.783 39.912 39.000 0.216 0.000 1.120 637 F HN 0.187 nan 8.300 nan 0.000 0.493 638 R N 2.035 122.659 120.500 0.208 0.000 2.621 638 R HA 0.332 4.672 4.340 0.000 0.000 0.292 638 R C -0.443 175.946 176.300 0.149 0.000 0.969 638 R CA -1.094 55.083 56.100 0.128 0.000 0.887 638 R CB 1.504 31.829 30.300 0.043 0.000 1.180 638 R HN 0.791 nan 8.270 nan 0.000 0.450 639 N N -0.183 118.582 118.700 0.108 0.000 2.738 639 N HA -0.160 4.580 4.740 0.000 0.000 0.249 639 N C -0.800 174.771 175.510 0.102 0.000 1.047 639 N CA 0.012 53.111 53.050 0.083 0.000 0.707 639 N CB -0.739 37.787 38.487 0.065 0.000 0.937 639 N HN 0.207 nan 8.380 nan 0.000 0.545 640 V N 0.560 120.543 119.914 0.115 0.000 2.461 640 V HA 0.538 4.658 4.120 0.000 0.000 0.275 640 V C 0.531 176.615 176.094 -0.016 0.000 1.047 640 V CA 0.150 62.501 62.300 0.086 0.000 0.955 640 V CB 1.580 33.468 31.823 0.109 0.000 0.988 640 V HN 0.355 nan 8.190 nan 0.000 0.471 641 S N 3.803 119.502 115.700 -0.003 0.000 2.625 641 S HA 0.849 5.319 4.470 0.000 0.000 0.271 641 S C -1.502 173.117 174.600 0.031 0.000 1.161 641 S CA -0.479 57.719 58.200 -0.003 0.000 0.820 641 S CB 2.162 65.370 63.200 0.014 0.000 1.137 641 S HN 0.426 nan 8.310 nan 0.000 0.470 642 V N 2.107 122.044 119.914 0.039 0.000 2.668 642 V HA 0.626 4.746 4.120 0.000 0.000 0.304 642 V C -0.504 175.635 176.094 0.074 0.000 1.071 642 V CA -0.716 61.620 62.300 0.060 0.000 0.894 642 V CB 1.686 33.517 31.823 0.013 0.000 1.008 642 V HN 0.805 nan 8.190 nan 0.000 0.425 643 S N 3.708 119.480 115.700 0.120 0.000 2.438 643 S HA 0.532 5.002 4.470 0.000 0.000 0.316 643 S C -0.577 174.133 174.600 0.183 0.000 1.084 643 S CA -0.475 57.798 58.200 0.121 0.000 1.107 643 S CB 0.873 64.137 63.200 0.107 0.000 0.981 643 S HN 0.881 nan 8.310 nan 0.000 0.466 644 E N 3.353 123.648 120.200 0.159 0.000 2.191 644 E HA 0.608 4.958 4.350 0.000 0.000 0.274 644 E C 0.905 177.616 176.600 0.186 0.000 0.948 644 E CA -0.008 56.520 56.400 0.213 0.000 0.802 644 E CB 0.998 30.797 29.700 0.165 0.000 1.137 644 E HN 0.903 nan 8.360 nan 0.000 0.397 645 G N 3.691 112.631 108.800 0.233 0.000 2.491 645 G HA2 -0.264 3.696 3.960 0.000 0.000 0.203 645 G HA3 -0.264 3.696 3.960 0.000 0.000 0.203 645 G C 0.568 175.559 174.900 0.151 0.000 1.052 645 G CA -0.159 45.039 45.100 0.163 0.000 0.675 645 G HN 0.723 nan 8.290 nan 0.000 0.504 646 L N -2.060 119.273 121.223 0.183 0.000 6.706 646 L HA -0.189 4.151 4.340 0.000 0.000 0.053 646 L C 0.657 177.675 176.870 0.246 0.000 1.950 646 L CA 2.255 57.219 54.840 0.206 0.000 1.620 646 L CB -1.381 40.781 42.059 0.172 0.000 2.781 646 L HN 1.757 nan 8.230 nan 0.000 1.068 647 Y N -1.839 118.475 120.300 0.024 0.000 2.779 647 Y HA 0.555 5.106 4.550 0.000 0.000 0.340 647 Y C -0.802 175.099 175.900 0.002 0.000 1.252 647 Y CA -1.197 56.900 58.100 -0.005 0.000 1.072 647 Y CB 1.025 39.477 38.460 -0.013 0.000 1.343 647 Y HN 0.425 nan 8.280 nan 0.000 0.450 648 N N 0.948 119.653 118.700 0.008 0.000 2.419 648 N HA 0.432 5.172 4.740 0.000 0.000 0.264 648 N C 0.157 175.648 175.510 -0.031 0.000 1.031 648 N CA 0.546 53.561 53.050 -0.059 0.000 0.951 648 N CB 1.908 40.425 38.487 0.051 0.000 1.101 648 N HN 0.945 nan 8.380 nan 0.000 0.488 649 A N 3.479 126.191 122.820 -0.180 0.000 2.132 649 A HA 0.056 4.376 4.320 0.000 0.000 0.213 649 A C -0.082 177.296 177.584 -0.344 0.000 1.154 649 A CA 0.179 52.128 52.037 -0.148 0.000 0.753 649 A CB -0.103 18.794 19.000 -0.172 0.000 0.826 649 A HN 0.712 nan 8.150 nan 0.000 0.469 650 W N -0.385 120.973 121.300 0.096 0.000 2.165 650 W HA 0.431 5.091 4.660 0.000 0.000 0.288 650 W C -2.277 174.277 176.519 0.058 0.000 0.900 650 W CA -1.971 55.429 57.345 0.092 0.000 1.914 650 W CB 0.527 30.024 29.460 0.061 0.000 2.091 650 W HN 0.136 nan 8.180 nan 0.000 0.399 651 P HA -0.205 nan 4.420 nan 0.000 0.216 651 P C 1.147 178.513 177.300 0.111 0.000 1.150 651 P CA 1.657 64.820 63.100 0.104 0.000 0.837 651 P CB 0.493 32.222 31.700 0.049 0.000 0.786 652 E N -1.332 118.949 120.200 0.135 0.000 2.511 652 E HA 0.013 4.363 4.350 0.000 0.000 0.196 652 E C 0.784 177.460 176.600 0.127 0.000 1.066 652 E CA 0.215 56.686 56.400 0.118 0.000 0.871 652 E CB -0.106 29.662 29.700 0.112 0.000 0.863 652 E HN 0.232 nan 8.360 nan 0.000 0.520 653 R N 0.000 120.599 120.500 0.165 0.000 2.786 653 R HA 0.000 4.340 4.340 0.000 0.000 0.208 653 R CA 0.000 56.171 56.100 0.118 0.000 0.921 653 R CB 0.000 30.374 30.300 0.124 0.000 0.687 653 R HN 0.000 nan 8.270 nan 0.000 0.535