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 1cw3_1_H DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT EVKTVTVKVP QKNS 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.569 177.584 -0.025 0.000 1.274 7 A CA 0.000 52.045 52.037 0.014 0.000 0.836 7 A CB 0.000 19.014 19.000 0.023 0.000 0.831 8 V N 4.021 123.887 119.914 -0.080 0.000 2.459 8 V HA 0.635 4.756 4.120 0.001 0.000 0.295 8 V C -1.824 174.156 176.094 -0.189 0.000 1.029 8 V CA -1.390 60.748 62.300 -0.269 0.000 0.874 8 V CB 1.443 33.120 31.823 -0.244 0.000 0.985 8 V HN 0.861 nan 8.190 nan 0.000 0.438 9 P HA 0.286 nan 4.420 nan 0.000 0.271 9 P C -0.338 176.974 177.300 0.019 0.000 1.218 9 P CA -0.216 62.839 63.100 -0.075 0.000 0.780 9 P CB 0.575 32.257 31.700 -0.029 0.000 0.901 10 A N 4.529 127.354 122.820 0.009 0.000 2.522 10 A HA 0.313 4.633 4.320 0.001 0.000 0.256 10 A C -1.531 175.998 177.584 -0.091 0.000 1.086 10 A CA -0.743 51.278 52.037 -0.027 0.000 0.763 10 A CB -1.146 17.832 19.000 -0.037 0.000 1.024 10 A HN 0.461 nan 8.150 nan 0.000 0.502 11 P HA 0.117 nan 4.420 nan 0.000 0.276 11 P C -0.802 176.282 177.300 -0.361 0.000 1.244 11 P CA -0.627 62.165 63.100 -0.513 0.000 0.801 11 P CB 0.736 31.699 31.700 -1.229 0.000 1.006 12 N N 1.607 120.129 118.700 -0.295 0.000 2.500 12 N HA 0.036 4.777 4.740 0.001 0.000 0.236 12 N C 0.779 175.992 175.510 -0.494 0.000 1.022 12 N CA -0.008 52.885 53.050 -0.262 0.000 0.935 12 N CB 0.340 38.771 38.487 -0.093 0.000 1.147 12 N HN 0.244 nan 8.380 nan 0.000 0.512 13 Q N 1.692 121.077 119.800 -0.692 0.000 2.561 13 Q HA -0.078 4.263 4.340 0.001 0.000 0.217 13 Q C -0.265 175.331 176.000 -0.673 0.000 0.980 13 Q CA 0.984 56.084 55.803 -1.171 0.000 0.927 13 Q CB 0.157 28.368 28.738 -0.877 0.000 0.980 13 Q HN 0.643 nan 8.270 nan 0.000 0.525 14 Q N 0.591 120.173 119.800 -0.362 0.000 3.557 14 Q HA 0.214 4.555 4.340 0.001 0.000 0.264 14 Q C -2.477 173.452 176.000 -0.119 0.000 0.850 14 Q CA -1.291 54.398 55.803 -0.190 0.000 0.833 14 Q CB 1.346 29.994 28.738 -0.149 0.000 1.505 14 Q HN 0.103 nan 8.270 nan 0.000 0.402 15 P HA -0.050 nan 4.420 nan 0.000 0.268 15 P C -0.297 176.994 177.300 -0.016 0.000 1.205 15 P CA 0.073 63.176 63.100 0.006 0.000 0.771 15 P CB 1.151 32.814 31.700 -0.062 0.000 0.858 16 E N 0.997 121.196 120.200 -0.002 0.000 2.366 16 E HA 0.216 4.566 4.350 0.001 0.000 0.266 16 E C -0.647 175.702 176.600 -0.419 0.000 1.051 16 E CA -0.628 55.598 56.400 -0.289 0.000 0.884 16 E CB 0.849 30.250 29.700 -0.498 0.000 1.006 16 E HN 0.174 nan 8.360 nan 0.000 0.417 17 V N 5.161 124.800 119.914 -0.458 0.000 2.394 17 V HA 0.146 4.267 4.120 0.001 0.000 0.282 17 V C -0.027 175.784 176.094 -0.472 0.000 1.031 17 V CA -0.066 62.053 62.300 -0.301 0.000 0.881 17 V CB 0.988 32.714 31.823 -0.162 0.000 0.982 17 V HN 0.688 nan 8.190 nan 0.000 0.451 18 F N 1.424 121.412 119.950 0.064 0.000 2.712 18 F HA 0.269 4.798 4.527 0.003 0.000 0.297 18 F C 0.856 176.542 175.800 -0.191 0.000 1.114 18 F CA -0.113 57.882 58.000 -0.009 0.000 1.305 18 F CB 0.442 39.501 39.000 0.097 0.000 1.086 18 F HN 0.385 nan 8.300 nan 0.000 0.599 19 C N 1.281 120.548 119.300 -0.054 0.000 2.346 19 C HA 0.381 4.842 4.460 0.001 0.000 0.326 19 C C 0.369 175.146 174.990 -0.355 0.000 1.224 19 C CA -0.970 57.740 59.018 -0.514 0.000 1.408 19 C CB -0.276 27.181 27.740 -0.471 0.000 2.089 19 C HN 0.664 nan 8.230 nan 0.000 0.456 20 N N 0.980 119.430 118.700 -0.416 0.000 2.381 20 N HA 0.148 4.888 4.740 0.001 0.000 0.257 20 N C -0.444 174.999 175.510 -0.112 0.000 1.409 20 N CA -0.458 52.470 53.050 -0.203 0.000 0.836 20 N CB 0.487 38.865 38.487 -0.182 0.000 1.384 20 N HN 0.741 nan 8.380 nan 0.000 0.490 21 Q N 0.296 120.075 119.800 -0.035 0.000 2.962 21 Q HA 0.551 4.892 4.340 0.001 0.000 0.282 21 Q C -0.726 175.581 176.000 0.511 0.000 1.058 21 Q CA -0.983 54.967 55.803 0.245 0.000 0.854 21 Q CB 2.020 30.946 28.738 0.314 0.000 1.441 21 Q HN 0.166 nan 8.270 nan 0.000 0.497 22 I N 1.154 121.985 120.570 0.434 0.000 2.365 22 I HA 0.200 4.371 4.170 0.001 0.000 0.291 22 I C -0.834 175.397 176.117 0.190 0.000 1.004 22 I CA -0.230 61.264 61.300 0.324 0.000 1.311 22 I CB 0.547 38.689 38.000 0.237 0.000 1.401 22 I HN 0.373 nan 8.210 nan 0.000 0.491 23 F N 8.026 127.884 119.950 -0.153 0.000 2.361 23 F HA 0.598 5.125 4.527 0.001 0.000 0.364 23 F C -0.440 175.144 175.800 -0.360 0.000 1.120 23 F CA -0.317 57.353 58.000 -0.549 0.000 1.102 23 F CB 0.373 38.969 39.000 -0.673 0.000 1.183 23 F HN 0.188 nan 8.300 nan 0.000 0.476 24 I N 5.308 125.453 120.570 -0.708 0.000 2.619 24 I HA 0.208 4.379 4.170 0.001 0.000 0.292 24 I C -0.288 175.500 176.117 -0.549 0.000 1.100 24 I CA -1.097 59.956 61.300 -0.411 0.000 1.043 24 I CB 1.877 39.845 38.000 -0.053 0.000 1.239 24 I HN 0.454 nan 8.210 nan 0.000 0.420 25 N N 4.605 123.079 118.700 -0.376 0.000 2.710 25 N HA -0.262 4.479 4.740 0.001 0.000 0.249 25 N C 0.127 175.353 175.510 -0.473 0.000 1.059 25 N CA 1.401 54.268 53.050 -0.305 0.000 0.720 25 N CB -1.064 37.341 38.487 -0.136 0.000 0.983 25 N HN 0.936 nan 8.380 nan 0.000 0.544 26 N N -1.985 116.183 118.700 -0.887 0.000 2.828 26 N HA -0.235 4.506 4.740 0.001 0.000 0.248 26 N C -0.858 174.055 175.510 -0.994 0.000 1.044 26 N CA 1.208 53.662 53.050 -0.993 0.000 0.851 26 N CB -0.413 37.890 38.487 -0.308 0.000 1.136 26 N HN 0.604 nan 8.380 nan 0.000 0.572 27 E N -0.822 118.713 120.200 -1.108 0.000 2.277 27 E HA 0.391 4.741 4.350 0.001 0.000 0.266 27 E C -0.954 174.992 176.600 -1.090 0.000 0.901 27 E CA -0.699 55.225 56.400 -0.792 0.000 0.782 27 E CB 1.116 30.605 29.700 -0.351 0.000 1.228 27 E HN 0.122 nan 8.360 nan 0.000 0.424 28 W N 1.655 122.736 121.300 -0.366 0.000 2.351 28 W HA 0.279 4.940 4.660 0.002 0.000 0.311 28 W C 0.026 176.456 176.519 -0.149 0.000 1.168 28 W CA -0.276 56.938 57.345 -0.217 0.000 1.200 28 W CB 0.825 30.285 29.460 -0.000 0.000 1.221 28 W HN 0.378 nan 8.180 nan 0.000 0.519 29 H N 1.349 120.573 119.070 0.256 0.000 2.821 29 H HA 0.290 4.847 4.556 0.001 0.000 0.373 29 H C -0.519 174.909 175.328 0.166 0.000 1.165 29 H CA -1.102 55.038 56.048 0.153 0.000 1.154 29 H CB 1.323 31.130 29.762 0.075 0.000 1.765 29 H HN 0.300 nan 8.280 nan 0.000 0.549 30 D N 0.315 120.867 120.400 0.254 0.000 2.348 30 D HA 0.386 5.027 4.640 0.001 0.000 0.249 30 D C 0.448 176.845 176.300 0.162 0.000 1.110 30 D CA -0.500 53.603 54.000 0.172 0.000 0.967 30 D CB 1.532 42.402 40.800 0.117 0.000 1.139 30 D HN 0.626 nan 8.370 nan 0.000 0.466 31 A N 0.717 123.622 122.820 0.143 0.000 2.466 31 A HA 0.074 4.395 4.320 0.001 0.000 0.238 31 A C 1.539 179.182 177.584 0.099 0.000 1.074 31 A CA -0.387 51.730 52.037 0.134 0.000 0.774 31 A CB 0.294 19.379 19.000 0.143 0.000 1.015 31 A HN 0.421 nan 8.150 nan 0.000 0.498 32 V N 2.126 122.090 119.914 0.084 0.000 2.469 32 V HA -0.241 3.880 4.120 0.001 0.000 0.251 32 V C 2.629 178.756 176.094 0.054 0.000 1.064 32 V CA 2.716 65.049 62.300 0.056 0.000 1.066 32 V CB -0.814 31.037 31.823 0.047 0.000 0.667 32 V HN 1.111 nan 8.190 nan 0.000 0.461 33 S N -1.196 114.544 115.700 0.066 0.000 2.527 33 S HA -0.067 4.404 4.470 0.001 0.000 0.222 33 S C 1.303 175.941 174.600 0.063 0.000 0.985 33 S CA 0.161 58.397 58.200 0.061 0.000 0.921 33 S CB -0.031 63.210 63.200 0.069 0.000 0.772 33 S HN 0.505 nan 8.310 nan 0.000 0.529 34 R N -0.139 120.404 120.500 0.072 0.000 3.977 34 R HA -0.114 4.227 4.340 0.001 0.000 0.428 34 R C -0.538 175.806 176.300 0.073 0.000 1.079 34 R CA 1.272 57.413 56.100 0.067 0.000 1.269 34 R CB -2.308 28.022 30.300 0.050 0.000 1.856 34 R HN 0.579 nan 8.270 nan 0.000 0.551 35 K N 1.451 121.906 120.400 0.092 0.000 2.355 35 K HA 0.225 4.546 4.320 0.001 0.000 0.270 35 K C 0.894 177.576 176.600 0.137 0.000 1.003 35 K CA 0.886 57.239 56.287 0.110 0.000 0.957 35 K CB 0.612 33.188 32.500 0.127 0.000 0.939 35 K HN 0.307 nan 8.250 nan 0.000 0.482 36 T N -1.081 113.553 114.554 0.134 0.000 2.883 36 T HA 0.700 5.051 4.350 0.001 0.000 0.296 36 T C -0.924 173.903 174.700 0.212 0.000 1.117 36 T CA -1.052 61.106 62.100 0.097 0.000 1.006 36 T CB 0.813 69.674 68.868 -0.012 0.000 1.191 36 T HN 0.464 nan 8.240 nan 0.000 0.508 37 F N -0.881 119.143 119.950 0.124 0.000 2.578 37 F HA 0.831 5.358 4.527 0.000 0.000 0.311 37 F C -3.163 172.690 175.800 0.088 0.000 1.094 37 F CA -2.894 55.199 58.000 0.156 0.000 0.923 37 F CB 1.478 40.664 39.000 0.311 0.000 1.230 37 F HN 0.420 nan 8.300 nan 0.000 0.450 38 P HA 0.187 nan 4.420 nan 0.000 0.282 38 P C -0.855 176.555 177.300 0.184 0.000 1.249 38 P CA -0.112 63.048 63.100 0.101 0.000 0.806 38 P CB 1.946 33.702 31.700 0.093 0.000 0.984 39 T N 1.769 116.366 114.554 0.071 0.000 2.797 39 T HA 0.406 4.756 4.350 0.001 0.000 0.279 39 T C -0.493 174.234 174.700 0.045 0.000 0.991 39 T CA -0.518 61.636 62.100 0.091 0.000 0.979 39 T CB 0.325 69.229 68.868 0.059 0.000 0.943 39 T HN 0.075 nan 8.240 nan 0.000 0.444 40 V N 5.575 125.516 119.914 0.044 0.000 2.617 40 V HA 0.427 4.548 4.120 0.001 0.000 0.298 40 V C 0.605 176.715 176.094 0.027 0.000 1.048 40 V CA -1.070 61.253 62.300 0.040 0.000 0.964 40 V CB 1.596 33.460 31.823 0.068 0.000 1.004 40 V HN 0.947 nan 8.190 nan 0.000 0.466 41 N N 4.793 123.508 118.700 0.026 0.000 2.406 41 N HA 0.243 4.984 4.740 0.001 0.000 0.251 41 N C -1.569 173.953 175.510 0.020 0.000 1.069 41 N CA -1.541 51.519 53.050 0.016 0.000 0.947 41 N CB 1.491 39.990 38.487 0.020 0.000 1.111 41 N HN 0.421 nan 8.380 nan 0.000 0.497 42 P HA -0.064 nan 4.420 nan 0.000 0.230 42 P C 0.441 177.640 177.300 -0.169 0.000 1.158 42 P CA 0.879 64.014 63.100 0.060 0.000 0.769 42 P CB 0.374 32.083 31.700 0.015 0.000 0.807 43 S N -0.436 115.207 115.700 -0.096 0.000 2.446 43 S HA -0.037 4.433 4.470 0.001 0.000 0.225 43 S C 1.862 176.498 174.600 0.059 0.000 1.016 43 S CA 1.723 59.947 58.200 0.040 0.000 0.943 43 S CB -0.696 62.590 63.200 0.143 0.000 0.786 43 S HN 0.427 nan 8.310 nan 0.000 0.508 44 T N -2.768 111.764 114.554 -0.038 0.000 2.971 44 T HA 0.462 4.813 4.350 0.001 0.000 0.252 44 T C 1.576 176.197 174.700 -0.131 0.000 1.022 44 T CA 0.796 62.860 62.100 -0.060 0.000 0.980 44 T CB 0.293 69.148 68.868 -0.020 0.000 1.044 44 T HN 0.500 nan 8.240 nan 0.000 0.501 45 G N 1.635 110.335 108.800 -0.166 0.000 2.184 45 G HA2 -0.221 3.740 3.960 0.001 0.000 0.264 45 G HA3 -0.221 3.740 3.960 0.001 0.000 0.264 45 G C -0.120 174.769 174.900 -0.018 0.000 0.975 45 G CA 0.224 45.245 45.100 -0.133 0.000 0.642 45 G HN 0.614 nan 8.290 nan 0.000 0.536 46 E N 0.036 120.224 120.200 -0.020 0.000 2.319 46 E HA 0.496 4.847 4.350 0.001 0.000 0.268 46 E C 0.652 177.257 176.600 0.009 0.000 1.050 46 E CA -0.675 55.722 56.400 -0.005 0.000 0.878 46 E CB 1.766 31.458 29.700 -0.014 0.000 1.066 46 E HN 0.141 nan 8.360 nan 0.000 0.406 47 V N 3.554 123.473 119.914 0.009 0.000 2.572 47 V HA 0.014 4.135 4.120 0.001 0.000 0.291 47 V C 1.666 177.756 176.094 -0.007 0.000 1.039 47 V CA 0.274 62.580 62.300 0.009 0.000 1.055 47 V CB 0.415 32.244 31.823 0.010 0.000 0.969 47 V HN 0.601 nan 8.190 nan 0.000 0.482 48 I N 3.655 124.218 120.570 -0.012 0.000 2.270 48 I HA 0.049 4.220 4.170 0.001 0.000 0.239 48 I C 1.011 177.100 176.117 -0.047 0.000 1.080 48 I CA 1.342 62.626 61.300 -0.028 0.000 1.383 48 I CB 0.193 38.177 38.000 -0.026 0.000 1.097 48 I HN 0.874 nan 8.210 nan 0.000 0.420 49 C N -1.895 117.372 119.300 -0.056 0.000 3.253 49 C HA 0.579 5.040 4.460 0.001 0.000 0.362 49 C C -0.921 174.008 174.990 -0.101 0.000 1.487 49 C CA -1.001 57.970 59.018 -0.078 0.000 1.179 49 C CB 1.145 28.826 27.740 -0.099 0.000 1.660 49 C HN 0.257 nan 8.230 nan 0.000 0.438 50 Q N 0.191 119.916 119.800 -0.125 0.000 2.235 50 Q HA 0.840 5.181 4.340 0.001 0.000 0.256 50 Q C -0.933 174.897 176.000 -0.283 0.000 0.951 50 Q CA -0.335 55.362 55.803 -0.176 0.000 0.890 50 Q CB 1.770 30.443 28.738 -0.108 0.000 1.279 50 Q HN 0.801 nan 8.270 nan 0.000 0.444 51 V N 1.704 121.303 119.914 -0.525 0.000 2.709 51 V HA 0.713 4.834 4.120 0.001 0.000 0.308 51 V C -0.742 175.032 176.094 -0.534 0.000 1.062 51 V CA -1.203 60.730 62.300 -0.613 0.000 0.901 51 V CB 1.853 33.105 31.823 -0.952 0.000 1.003 51 V HN 0.952 nan 8.190 nan 0.000 0.425 52 A N 2.628 125.343 122.820 -0.175 0.000 2.548 52 A HA 0.189 4.510 4.320 0.001 0.000 0.247 52 A C 0.398 178.100 177.584 0.197 0.000 1.067 52 A CA 0.316 52.372 52.037 0.033 0.000 0.757 52 A CB -0.118 18.951 19.000 0.116 0.000 0.996 52 A HN 0.905 nan 8.150 nan 0.000 0.504 53 E N 3.159 123.552 120.200 0.322 0.000 1.998 53 E HA 0.368 4.718 4.350 0.001 0.000 0.257 53 E C 0.698 177.490 176.600 0.320 0.000 1.038 53 E CA -0.290 56.419 56.400 0.515 0.000 0.869 53 E CB 0.157 30.207 29.700 0.582 0.000 1.135 53 E HN 0.818 nan 8.360 nan 0.000 0.430 54 G N 3.191 112.159 108.800 0.281 0.000 2.544 54 G HA2 0.048 4.008 3.960 0.001 0.000 0.242 54 G HA3 0.048 4.008 3.960 0.001 0.000 0.242 54 G C -0.274 174.733 174.900 0.179 0.000 1.247 54 G CA -0.168 45.053 45.100 0.203 0.000 0.840 54 G HN 0.589 nan 8.290 nan 0.000 0.578 55 D N -0.814 119.671 120.400 0.141 0.000 2.867 55 D HA 0.178 4.819 4.640 0.001 0.000 0.308 55 D C 1.247 177.605 176.300 0.098 0.000 1.202 55 D CA -0.787 53.283 54.000 0.116 0.000 1.035 55 D CB 1.485 42.344 40.800 0.100 0.000 1.427 55 D HN 0.279 nan 8.370 nan 0.000 0.570 56 K N 0.323 120.769 120.400 0.076 0.000 2.089 56 K HA -0.192 4.129 4.320 0.001 0.000 0.210 56 K C 1.519 178.162 176.600 0.072 0.000 1.048 56 K CA 1.735 58.061 56.287 0.066 0.000 0.926 56 K CB 0.064 32.585 32.500 0.034 0.000 0.714 56 K HN 0.316 nan 8.250 nan 0.000 0.448 57 E N 0.088 120.326 120.200 0.064 0.000 2.150 57 E HA -0.176 4.175 4.350 0.001 0.000 0.193 57 E C 1.467 178.113 176.600 0.078 0.000 0.985 57 E CA 1.618 58.055 56.400 0.061 0.000 0.814 57 E CB -0.006 29.724 29.700 0.049 0.000 0.752 57 E HN 0.473 nan 8.360 nan 0.000 0.466 58 D N -0.116 120.339 120.400 0.092 0.000 2.162 58 D HA -0.098 4.543 4.640 0.001 0.000 0.203 58 D C 1.913 178.278 176.300 0.107 0.000 0.967 58 D CA 0.483 54.546 54.000 0.105 0.000 0.840 58 D CB 0.136 41.011 40.800 0.125 0.000 0.972 58 D HN -0.058 nan 8.370 nan 0.000 0.482 59 V N 1.165 121.147 119.914 0.114 0.000 2.358 59 V HA -0.207 3.914 4.120 0.001 0.000 0.246 59 V C 1.523 177.701 176.094 0.141 0.000 1.047 59 V CA 1.678 64.051 62.300 0.121 0.000 1.035 59 V CB -0.334 31.575 31.823 0.142 0.000 0.658 59 V HN 0.140 nan 8.190 nan 0.000 0.452 60 D N -0.234 120.271 120.400 0.175 0.000 2.144 60 D HA -0.138 4.503 4.640 0.001 0.000 0.199 60 D C 2.264 178.646 176.300 0.137 0.000 0.984 60 D CA 1.063 55.201 54.000 0.231 0.000 0.834 60 D CB -0.152 40.738 40.800 0.151 0.000 0.955 60 D HN 0.384 nan 8.370 nan 0.000 0.465 61 K N 0.389 120.845 120.400 0.093 0.000 2.001 61 K HA -0.028 4.293 4.320 0.001 0.000 0.208 61 K C 2.140 178.770 176.600 0.050 0.000 1.048 61 K CA 1.042 57.368 56.287 0.065 0.000 0.932 61 K CB -0.154 32.384 32.500 0.063 0.000 0.715 61 K HN 0.036 nan 8.250 nan 0.000 0.437 62 A N 1.234 124.084 122.820 0.050 0.000 1.883 62 A HA -0.152 4.169 4.320 0.001 0.000 0.217 62 A C 2.405 179.979 177.584 -0.017 0.000 1.186 62 A CA 1.676 53.724 52.037 0.019 0.000 0.624 62 A CB -0.820 18.197 19.000 0.027 0.000 0.822 62 A HN 0.088 nan 8.150 nan 0.000 0.444 63 V N 0.166 120.051 119.914 -0.048 0.000 2.332 63 V HA -0.307 3.814 4.120 0.001 0.000 0.248 63 V C 2.475 178.530 176.094 -0.065 0.000 1.055 63 V CA 2.450 64.665 62.300 -0.142 0.000 1.038 63 V CB -0.696 30.869 31.823 -0.430 0.000 0.651 63 V HN 0.563 nan 8.190 nan 0.000 0.450 64 K N 0.067 120.465 120.400 -0.004 0.000 2.097 64 K HA -0.131 4.189 4.320 0.001 0.000 0.206 64 K C 2.286 178.899 176.600 0.021 0.000 1.049 64 K CA 1.460 57.761 56.287 0.024 0.000 0.933 64 K CB -0.386 32.140 32.500 0.044 0.000 0.717 64 K HN 0.494 nan 8.250 nan 0.000 0.442 65 A N 1.466 124.292 122.820 0.010 0.000 1.898 65 A HA -0.071 4.250 4.320 0.001 0.000 0.216 65 A C 2.363 179.952 177.584 0.008 0.000 1.181 65 A CA 1.701 53.740 52.037 0.004 0.000 0.620 65 A CB -0.584 18.407 19.000 -0.015 0.000 0.819 65 A HN 0.320 nan 8.150 nan 0.000 0.442 66 A N -0.039 122.778 122.820 -0.005 0.000 1.873 66 A HA -0.128 4.193 4.320 0.001 0.000 0.215 66 A C 2.179 179.805 177.584 0.070 0.000 1.186 66 A CA 2.094 54.134 52.037 0.004 0.000 0.616 66 A CB -0.458 18.520 19.000 -0.037 0.000 0.823 66 A HN 0.462 nan 8.150 nan 0.000 0.442 67 R N 0.398 120.930 120.500 0.054 0.000 2.091 67 R HA -0.064 4.277 4.340 0.001 0.000 0.238 67 R C 2.099 178.499 176.300 0.166 0.000 1.136 67 R CA 2.111 58.279 56.100 0.113 0.000 0.959 67 R CB -0.976 29.362 30.300 0.063 0.000 0.856 67 R HN 0.385 nan 8.270 nan 0.000 0.437 68 A N 0.273 123.157 122.820 0.108 0.000 1.902 68 A HA -0.033 4.288 4.320 0.001 0.000 0.217 68 A C 2.348 180.007 177.584 0.124 0.000 1.181 68 A CA 1.804 53.899 52.037 0.097 0.000 0.623 68 A CB -1.080 17.956 19.000 0.060 0.000 0.818 68 A HN 0.502 nan 8.150 nan 0.000 0.443 69 A N -2.327 120.574 122.820 0.135 0.000 2.121 69 A HA 0.082 4.403 4.320 0.001 0.000 0.218 69 A C 1.652 179.413 177.584 0.296 0.000 1.154 69 A CA 1.207 53.343 52.037 0.165 0.000 0.679 69 A CB -0.531 18.523 19.000 0.090 0.000 0.795 69 A HN 0.615 nan 8.150 nan 0.000 0.458 70 F N 0.154 120.189 119.950 0.142 0.000 2.695 70 F HA 0.229 4.757 4.527 0.001 0.000 0.303 70 F C 0.532 176.406 175.800 0.124 0.000 1.091 70 F CA -0.351 57.756 58.000 0.178 0.000 1.300 70 F CB 0.238 39.325 39.000 0.145 0.000 1.071 70 F HN 0.084 nan 8.300 nan 0.000 0.578 71 Q N 1.770 121.612 119.800 0.070 0.000 2.332 71 Q HA 0.085 4.426 4.340 0.001 0.000 0.263 71 Q C -0.248 175.701 176.000 -0.085 0.000 0.979 71 Q CA -0.365 55.437 55.803 -0.002 0.000 0.885 71 Q CB 1.193 29.960 28.738 0.047 0.000 1.218 71 Q HN 0.246 nan 8.270 nan 0.000 0.405 72 L N 1.893 123.050 121.223 -0.110 0.000 2.601 72 L HA 0.067 4.408 4.340 0.001 0.000 0.277 72 L C 1.247 178.085 176.870 -0.053 0.000 1.219 72 L CA 2.224 57.000 54.840 -0.106 0.000 0.915 72 L CB -0.037 41.979 42.059 -0.072 0.000 1.160 72 L HN 0.951 nan 8.230 nan 0.000 0.494 73 G N 1.854 110.622 108.800 -0.052 0.000 2.194 73 G HA2 -0.268 3.693 3.960 0.001 0.000 0.236 73 G HA3 -0.268 3.693 3.960 0.001 0.000 0.236 73 G C 0.328 175.226 174.900 -0.005 0.000 0.987 73 G CA 0.277 45.363 45.100 -0.023 0.000 0.635 73 G HN 1.099 nan 8.290 nan 0.000 0.520 74 S N 0.645 116.346 115.700 0.002 0.000 2.600 74 S HA 0.576 5.046 4.470 0.001 0.000 0.265 74 S C -0.611 174.033 174.600 0.074 0.000 1.325 74 S CA -0.249 57.980 58.200 0.049 0.000 1.002 74 S CB 1.966 65.216 63.200 0.084 0.000 0.921 74 S HN 0.008 nan 8.310 nan 0.000 0.554 75 P HA -0.134 nan 4.420 nan 0.000 0.215 75 P C 1.294 178.717 177.300 0.205 0.000 1.157 75 P CA 1.334 64.514 63.100 0.133 0.000 0.874 75 P CB -0.132 31.656 31.700 0.148 0.000 0.790 76 W N 0.040 121.368 121.300 0.047 0.000 2.363 76 W HA -0.172 4.489 4.660 0.002 0.000 0.296 76 W C 1.754 178.298 176.519 0.042 0.000 1.212 76 W CA 0.821 58.211 57.345 0.074 0.000 1.260 76 W CB -0.114 29.416 29.460 0.117 0.000 1.131 76 W HN -0.141 nan 8.180 nan 0.000 0.530 77 R N 0.235 120.729 120.500 -0.011 0.000 2.119 77 R HA -0.033 4.307 4.340 0.001 0.000 0.222 77 R C 2.114 178.322 176.300 -0.153 0.000 1.088 77 R CA 0.975 56.966 56.100 -0.181 0.000 0.984 77 R CB -0.685 29.498 30.300 -0.195 0.000 0.884 77 R HN 0.307 nan 8.270 nan 0.000 0.447 78 R N -0.320 120.131 120.500 -0.081 0.000 2.161 78 R HA 0.160 4.501 4.340 0.001 0.000 0.213 78 R C 1.136 177.393 176.300 -0.072 0.000 1.055 78 R CA -0.164 55.897 56.100 -0.065 0.000 0.996 78 R CB -0.027 30.253 30.300 -0.033 0.000 0.901 78 R HN 0.108 nan 8.270 nan 0.000 0.456 79 M N 2.171 121.726 119.600 -0.075 0.000 2.235 79 M HA -0.088 4.393 4.480 0.001 0.000 0.336 79 M C -0.663 175.586 176.300 -0.085 0.000 1.146 79 M CA 0.607 55.869 55.300 -0.062 0.000 1.018 79 M CB 0.470 33.060 32.600 -0.017 0.000 1.694 79 M HN -0.034 nan 8.290 nan 0.000 0.451 80 D N 3.808 124.188 120.400 -0.034 0.000 2.424 80 D HA 0.110 4.751 4.640 0.001 0.000 0.244 80 D C 0.785 177.080 176.300 -0.008 0.000 1.134 80 D CA 0.466 54.457 54.000 -0.015 0.000 0.881 80 D CB 1.183 41.989 40.800 0.011 0.000 1.191 80 D HN 0.762 nan 8.370 nan 0.000 0.445 81 A N 2.529 125.336 122.820 -0.022 0.000 1.917 81 A HA -0.236 4.085 4.320 0.001 0.000 0.219 81 A C 2.132 179.726 177.584 0.017 0.000 1.182 81 A CA 2.312 54.338 52.037 -0.018 0.000 0.633 81 A CB -0.623 18.388 19.000 0.017 0.000 0.819 81 A HN 0.611 nan 8.150 nan 0.000 0.448 82 S N -1.125 114.597 115.700 0.036 0.000 2.399 82 S HA -0.260 4.211 4.470 0.001 0.000 0.231 82 S C 1.845 176.477 174.600 0.053 0.000 1.022 82 S CA 1.628 59.853 58.200 0.042 0.000 0.983 82 S CB -0.730 62.495 63.200 0.043 0.000 0.803 82 S HN 0.738 nan 8.310 nan 0.000 0.480 83 H N 1.840 120.895 119.070 -0.025 0.000 2.423 83 H HA 0.185 4.742 4.556 0.001 0.000 0.297 83 H C 2.279 177.596 175.328 -0.018 0.000 1.075 83 H CA 1.553 57.586 56.048 -0.026 0.000 1.342 83 H CB -0.115 29.628 29.762 -0.032 0.000 1.395 83 H HN 0.370 nan 8.280 nan 0.000 0.530 84 R N -0.758 119.728 120.500 -0.024 0.000 2.096 84 R HA -0.080 4.261 4.340 0.001 0.000 0.235 84 R C 2.530 178.842 176.300 0.019 0.000 1.127 84 R CA 1.017 57.127 56.100 0.017 0.000 0.968 84 R CB -0.462 29.851 30.300 0.022 0.000 0.861 84 R HN 0.415 nan 8.270 nan 0.000 0.440 85 G N 1.241 110.043 108.800 0.002 0.000 2.418 85 G HA2 -0.241 3.720 3.960 0.001 0.000 0.217 85 G HA3 -0.241 3.720 3.960 0.001 0.000 0.217 85 G C 1.422 176.298 174.900 -0.039 0.000 1.158 85 G CA 0.255 45.362 45.100 0.012 0.000 0.771 85 G HN 0.120 nan 8.290 nan 0.000 0.545 86 R N 0.255 120.680 120.500 -0.126 0.000 2.073 86 R HA 0.062 4.403 4.340 0.001 0.000 0.234 86 R C 2.664 178.838 176.300 -0.210 0.000 1.134 86 R CA 0.629 56.625 56.100 -0.173 0.000 0.952 86 R CB -1.197 28.943 30.300 -0.266 0.000 0.850 86 R HN 0.399 nan 8.270 nan 0.000 0.433 87 L N 0.487 121.502 121.223 -0.345 0.000 2.046 87 L HA -0.169 4.172 4.340 0.001 0.000 0.208 87 L C 2.541 179.341 176.870 -0.115 0.000 1.077 87 L CA 1.146 55.729 54.840 -0.428 0.000 0.747 87 L CB -0.493 41.048 42.059 -0.863 0.000 0.896 87 L HN 0.124 nan 8.230 nan 0.000 0.432 88 L N -0.417 120.858 121.223 0.086 0.000 2.083 88 L HA -0.207 4.134 4.340 0.001 0.000 0.209 88 L C 2.381 179.339 176.870 0.146 0.000 1.083 88 L CA 1.020 56.006 54.840 0.244 0.000 0.752 88 L CB -0.490 41.712 42.059 0.238 0.000 0.899 88 L HN 0.369 nan 8.230 nan 0.000 0.433 89 N N -0.277 118.465 118.700 0.069 0.000 2.270 89 N HA -0.174 4.567 4.740 0.001 0.000 0.181 89 N C 1.948 177.487 175.510 0.048 0.000 1.016 89 N CA 0.763 53.844 53.050 0.052 0.000 0.870 89 N CB -0.063 38.435 38.487 0.019 0.000 0.979 89 N HN 0.162 nan 8.380 nan 0.000 0.431 90 R N 1.572 122.088 120.500 0.026 0.000 2.075 90 R HA -0.007 4.334 4.340 0.001 0.000 0.232 90 R C 2.058 178.404 176.300 0.077 0.000 1.126 90 R CA 0.817 56.933 56.100 0.026 0.000 0.963 90 R CB -1.047 29.237 30.300 -0.027 0.000 0.858 90 R HN 0.143 nan 8.270 nan 0.000 0.435 91 L N 0.456 121.763 121.223 0.140 0.000 2.012 91 L HA -0.002 4.339 4.340 0.001 0.000 0.210 91 L C 2.101 179.043 176.870 0.120 0.000 1.073 91 L CA 2.329 57.273 54.840 0.174 0.000 0.748 91 L CB -1.146 41.075 42.059 0.269 0.000 0.891 91 L HN 0.273 nan 8.230 nan 0.000 0.431 92 A N -0.906 121.981 122.820 0.112 0.000 1.940 92 A HA -0.226 4.095 4.320 0.001 0.000 0.219 92 A C 1.991 179.621 177.584 0.077 0.000 1.176 92 A CA 1.932 54.025 52.037 0.093 0.000 0.631 92 A CB -0.786 18.269 19.000 0.091 0.000 0.814 92 A HN 0.571 nan 8.150 nan 0.000 0.446 93 D N 0.052 120.494 120.400 0.070 0.000 2.117 93 D HA -0.083 4.558 4.640 0.001 0.000 0.198 93 D C 2.000 178.342 176.300 0.070 0.000 0.982 93 D CA 0.966 55.002 54.000 0.061 0.000 0.828 93 D CB -0.335 40.494 40.800 0.049 0.000 0.967 93 D HN 0.459 nan 8.370 nan 0.000 0.464 94 L N 0.630 121.899 121.223 0.077 0.000 2.046 94 L HA -0.126 4.214 4.340 0.001 0.000 0.208 94 L C 2.578 179.518 176.870 0.116 0.000 1.077 94 L CA 0.748 55.640 54.840 0.087 0.000 0.747 94 L CB -0.317 41.790 42.059 0.079 0.000 0.896 94 L HN 0.013 nan 8.230 nan 0.000 0.432 95 I N -0.188 120.451 120.570 0.115 0.000 2.226 95 I HA -0.294 3.877 4.170 0.001 0.000 0.245 95 I C 2.584 178.765 176.117 0.106 0.000 1.100 95 I CA 1.403 62.781 61.300 0.130 0.000 1.374 95 I CB -0.242 37.821 38.000 0.105 0.000 1.057 95 I HN 0.351 nan 8.210 nan 0.000 0.413 96 E N 1.235 121.481 120.200 0.077 0.000 2.150 96 E HA -0.252 4.099 4.350 0.001 0.000 0.193 96 E C 2.379 179.028 176.600 0.081 0.000 0.985 96 E CA 0.772 57.205 56.400 0.055 0.000 0.814 96 E CB 0.016 29.742 29.700 0.044 0.000 0.752 96 E HN 0.266 nan 8.360 nan 0.000 0.466 97 R N 0.410 120.965 120.500 0.093 0.000 2.073 97 R HA -0.131 4.210 4.340 0.001 0.000 0.234 97 R C 0.486 176.862 176.300 0.126 0.000 1.134 97 R CA 1.814 57.972 56.100 0.098 0.000 0.952 97 R CB 0.010 30.362 30.300 0.086 0.000 0.850 97 R HN 0.129 nan 8.270 nan 0.000 0.433 98 D N -0.031 120.464 120.400 0.158 0.000 2.395 98 D HA 0.013 4.654 4.640 0.001 0.000 0.226 98 D C 1.143 177.577 176.300 0.222 0.000 1.146 98 D CA -0.014 54.111 54.000 0.209 0.000 0.830 98 D CB 0.184 41.158 40.800 0.289 0.000 0.958 98 D HN 0.254 nan 8.370 nan 0.000 0.501 99 R N 0.432 121.030 120.500 0.164 0.000 2.083 99 R HA -0.138 4.203 4.340 0.001 0.000 0.237 99 R C 1.484 177.921 176.300 0.228 0.000 1.137 99 R CA 1.627 57.787 56.100 0.100 0.000 0.951 99 R CB -0.039 30.235 30.300 -0.043 0.000 0.851 99 R HN 0.007 nan 8.270 nan 0.000 0.434 100 T N 0.023 114.809 114.554 0.387 0.000 2.746 100 T HA -0.208 4.143 4.350 0.001 0.000 0.267 100 T C 1.375 176.319 174.700 0.407 0.000 1.039 100 T CA 1.595 64.002 62.100 0.512 0.000 1.142 100 T CB -0.520 68.584 68.868 0.392 0.000 0.866 100 T HN 0.397 nan 8.240 nan 0.000 0.444 101 Y N 1.861 122.267 120.300 0.177 0.000 2.089 101 Y HA -0.046 4.504 4.550 0.001 0.000 0.282 101 Y C 2.036 177.978 175.900 0.070 0.000 1.139 101 Y CA 1.119 59.269 58.100 0.084 0.000 1.123 101 Y CB -0.640 37.808 38.460 -0.021 0.000 0.980 101 Y HN 0.087 nan 8.280 nan 0.000 0.493 102 L N -0.117 121.080 121.223 -0.043 0.000 2.191 102 L HA -0.212 4.129 4.340 0.001 0.000 0.212 102 L C 2.711 179.564 176.870 -0.028 0.000 1.103 102 L CA 1.037 55.804 54.840 -0.122 0.000 0.769 102 L CB -0.862 41.230 42.059 0.055 0.000 0.908 102 L HN 0.401 nan 8.230 nan 0.000 0.438 103 A N -0.078 122.811 122.820 0.114 0.000 1.898 103 A HA -0.105 4.216 4.320 0.001 0.000 0.216 103 A C 2.535 180.315 177.584 0.326 0.000 1.181 103 A CA 1.536 53.687 52.037 0.188 0.000 0.620 103 A CB -0.594 18.554 19.000 0.247 0.000 0.819 103 A HN 0.375 nan 8.150 nan 0.000 0.442 104 A N -0.551 122.515 122.820 0.411 0.000 1.898 104 A HA -0.002 4.319 4.320 0.001 0.000 0.216 104 A C 2.105 179.799 177.584 0.182 0.000 1.181 104 A CA 1.670 53.945 52.037 0.397 0.000 0.620 104 A CB -0.609 18.504 19.000 0.189 0.000 0.819 104 A HN 0.646 nan 8.150 nan 0.000 0.442 105 L N -0.126 121.038 121.223 -0.098 0.000 2.141 105 L HA -0.099 4.242 4.340 0.001 0.000 0.209 105 L C 2.172 179.005 176.870 -0.062 0.000 1.094 105 L CA 2.578 57.316 54.840 -0.171 0.000 0.763 105 L CB -0.545 41.243 42.059 -0.451 0.000 0.908 105 L HN 0.506 nan 8.230 nan 0.000 0.437 106 E N -1.084 119.095 120.200 -0.035 0.000 2.072 106 E HA -0.174 4.177 4.350 0.001 0.000 0.191 106 E C 2.013 178.591 176.600 -0.037 0.000 0.985 106 E CA 1.933 58.320 56.400 -0.022 0.000 0.801 106 E CB -0.300 29.397 29.700 -0.005 0.000 0.750 106 E HN 0.462 nan 8.360 nan 0.000 0.452 107 T N 0.743 115.273 114.554 -0.040 0.000 2.777 107 T HA -0.111 4.240 4.350 0.001 0.000 0.266 107 T C 1.718 176.328 174.700 -0.150 0.000 1.040 107 T CA 1.080 63.077 62.100 -0.171 0.000 1.141 107 T CB -0.345 68.288 68.868 -0.391 0.000 0.868 107 T HN 0.119 nan 8.240 nan 0.000 0.444 108 L N 1.295 122.519 121.223 0.002 0.000 2.012 108 L HA -0.120 4.220 4.340 0.001 0.000 0.210 108 L C 2.046 178.924 176.870 0.013 0.000 1.073 108 L CA 1.939 56.831 54.840 0.088 0.000 0.748 108 L CB -0.412 41.726 42.059 0.133 0.000 0.891 108 L HN 0.090 nan 8.230 nan 0.000 0.431 109 D N -1.661 118.733 120.400 -0.009 0.000 2.213 109 D HA -0.138 4.502 4.640 0.001 0.000 0.205 109 D C 1.926 178.206 176.300 -0.033 0.000 0.961 109 D CA 0.754 54.745 54.000 -0.015 0.000 0.853 109 D CB 0.016 40.811 40.800 -0.007 0.000 0.967 109 D HN 0.413 nan 8.370 nan 0.000 0.496 110 N N -0.834 117.836 118.700 -0.051 0.000 2.439 110 N HA -0.012 4.729 4.740 0.001 0.000 0.176 110 N C 1.403 176.847 175.510 -0.110 0.000 1.029 110 N CA 1.615 54.626 53.050 -0.066 0.000 0.886 110 N CB 0.854 39.303 38.487 -0.063 0.000 1.057 110 N HN 0.251 nan 8.380 nan 0.000 0.437 111 G N 1.426 110.146 108.800 -0.134 0.000 2.259 111 G HA2 -0.263 3.698 3.960 0.001 0.000 0.217 111 G HA3 -0.263 3.698 3.960 0.001 0.000 0.217 111 G C -0.056 174.734 174.900 -0.183 0.000 1.001 111 G CA 0.351 45.349 45.100 -0.170 0.000 0.627 111 G HN 0.685 nan 8.290 nan 0.000 0.501 112 K N 1.320 121.615 120.400 -0.177 0.000 2.440 112 K HA 0.403 4.723 4.320 0.001 0.000 0.270 112 K C -2.666 173.849 176.600 -0.142 0.000 0.980 112 K CA -0.934 55.252 56.287 -0.169 0.000 0.953 112 K CB 0.250 32.635 32.500 -0.193 0.000 0.925 112 K HN 0.118 nan 8.250 nan 0.000 0.497 113 P HA -0.106 nan 4.420 nan 0.000 0.264 113 P C -0.307 176.987 177.300 -0.011 0.000 1.193 113 P CA -0.031 63.045 63.100 -0.039 0.000 0.763 113 P CB 0.149 31.864 31.700 0.024 0.000 0.810 114 Y N 4.831 125.040 120.300 -0.151 0.000 2.151 114 Y HA -0.268 4.283 4.550 0.002 0.000 0.284 114 Y C 1.800 177.748 175.900 0.079 0.000 1.166 114 Y CA 1.803 59.869 58.100 -0.058 0.000 1.163 114 Y CB -0.894 37.569 38.460 0.005 0.000 0.974 114 Y HN 0.084 nan 8.280 nan 0.000 0.511 115 V N 0.359 120.276 119.914 0.005 0.000 2.392 115 V HA -0.336 3.785 4.120 0.001 0.000 0.249 115 V C 2.348 178.443 176.094 0.001 0.000 1.059 115 V CA 1.810 64.089 62.300 -0.036 0.000 1.051 115 V CB -0.665 31.201 31.823 0.073 0.000 0.658 115 V HN 0.435 nan 8.190 nan 0.000 0.455 116 I N -0.159 120.438 120.570 0.045 0.000 2.333 116 I HA -0.100 4.071 4.170 0.001 0.000 0.246 116 I C 2.554 178.715 176.117 0.073 0.000 1.106 116 I CA 1.277 62.644 61.300 0.111 0.000 1.411 116 I CB -1.275 36.821 38.000 0.160 0.000 1.082 116 I HN 0.276 nan 8.210 nan 0.000 0.420 117 S N 0.308 116.008 115.700 0.000 0.000 2.370 117 S HA -0.222 4.249 4.470 0.001 0.000 0.226 117 S C 2.001 176.577 174.600 -0.041 0.000 1.033 117 S CA 1.344 59.537 58.200 -0.011 0.000 1.011 117 S CB -0.454 62.736 63.200 -0.015 0.000 0.852 117 S HN 0.425 nan 8.310 nan 0.000 0.457 118 Y N 1.883 122.021 120.300 -0.269 0.000 2.114 118 Y HA -0.017 4.533 4.550 0.001 0.000 0.284 118 Y C 2.022 177.862 175.900 -0.099 0.000 1.119 118 Y CA 1.418 59.367 58.100 -0.253 0.000 1.108 118 Y CB -0.373 37.786 38.460 -0.502 0.000 0.995 118 Y HN 0.102 nan 8.280 nan 0.000 0.491 119 L N -1.286 120.021 121.223 0.140 0.000 2.027 119 L HA -0.177 4.164 4.340 0.001 0.000 0.206 119 L C 2.082 178.988 176.870 0.059 0.000 1.074 119 L CA 1.107 56.015 54.840 0.114 0.000 0.745 119 L CB -0.711 41.438 42.059 0.150 0.000 0.898 119 L HN 0.161 nan 8.230 nan 0.000 0.433 120 V N -0.446 119.524 119.914 0.094 0.000 2.326 120 V HA -0.159 3.962 4.120 0.001 0.000 0.237 120 V C 1.891 178.042 176.094 0.095 0.000 1.044 120 V CA 1.557 63.932 62.300 0.125 0.000 1.035 120 V CB -0.456 31.514 31.823 0.244 0.000 0.675 120 V HN 0.272 nan 8.190 nan 0.000 0.470 121 D N 0.492 120.958 120.400 0.109 0.000 2.127 121 D HA -0.218 4.423 4.640 0.001 0.000 0.190 121 D C 1.973 178.285 176.300 0.022 0.000 1.000 121 D CA 1.661 55.709 54.000 0.080 0.000 0.839 121 D CB -0.314 40.541 40.800 0.092 0.000 0.955 121 D HN 0.213 nan 8.370 nan 0.000 0.446 122 L N 0.048 121.253 121.223 -0.031 0.000 2.201 122 L HA -0.108 4.233 4.340 0.001 0.000 0.212 122 L C 1.757 178.593 176.870 -0.057 0.000 1.105 122 L CA 1.052 55.854 54.840 -0.062 0.000 0.775 122 L CB -0.171 41.800 42.059 -0.147 0.000 0.913 122 L HN 0.020 nan 8.230 nan 0.000 0.440 123 D N -0.487 119.879 120.400 -0.057 0.000 2.117 123 D HA -0.198 4.443 4.640 0.001 0.000 0.198 123 D C 2.242 178.557 176.300 0.024 0.000 0.982 123 D CA 1.377 55.362 54.000 -0.025 0.000 0.828 123 D CB 0.085 40.878 40.800 -0.012 0.000 0.967 123 D HN 0.187 nan 8.370 nan 0.000 0.464 124 M N -0.436 119.190 119.600 0.044 0.000 2.229 124 M HA -0.088 4.393 4.480 0.001 0.000 0.264 124 M C 2.126 178.493 176.300 0.112 0.000 1.063 124 M CA 0.521 55.869 55.300 0.080 0.000 1.114 124 M CB 0.062 32.710 32.600 0.080 0.000 1.387 124 M HN -0.004 nan 8.290 nan 0.000 0.420 125 V N 1.097 121.061 119.914 0.084 0.000 2.270 125 V HA -0.258 3.863 4.120 0.001 0.000 0.245 125 V C 2.336 178.495 176.094 0.109 0.000 1.043 125 V CA 1.673 64.034 62.300 0.101 0.000 1.014 125 V CB -0.608 31.252 31.823 0.062 0.000 0.645 125 V HN 0.429 nan 8.190 nan 0.000 0.447 126 L N -0.458 120.810 121.223 0.075 0.000 1.989 126 L HA -0.246 4.095 4.340 0.001 0.000 0.211 126 L C 2.594 179.522 176.870 0.097 0.000 1.071 126 L CA 1.929 56.814 54.840 0.076 0.000 0.749 126 L CB -0.727 41.357 42.059 0.042 0.000 0.890 126 L HN 0.266 nan 8.230 nan 0.000 0.431 127 K N -0.830 119.623 120.400 0.089 0.000 2.103 127 K HA -0.223 4.098 4.320 0.001 0.000 0.207 127 K C 2.307 178.992 176.600 0.142 0.000 1.048 127 K CA 1.649 57.994 56.287 0.097 0.000 0.930 127 K CB -0.505 32.034 32.500 0.066 0.000 0.716 127 K HN 0.426 nan 8.250 nan 0.000 0.444 128 C N 1.162 120.561 119.300 0.164 0.000 2.453 128 C HA -0.052 4.409 4.460 0.001 0.000 0.277 128 C C 2.438 177.633 174.990 0.342 0.000 1.262 128 C CA 0.542 59.703 59.018 0.238 0.000 1.718 128 C CB -0.905 27.002 27.740 0.277 0.000 2.031 128 C HN 0.392 nan 8.230 nan 0.000 0.480 129 L N 0.239 121.616 121.223 0.256 0.000 2.017 129 L HA -0.105 4.236 4.340 0.001 0.000 0.208 129 L C 3.008 180.010 176.870 0.219 0.000 1.073 129 L CA 1.755 56.738 54.840 0.239 0.000 0.745 129 L CB -0.725 41.434 42.059 0.168 0.000 0.894 129 L HN 0.329 nan 8.230 nan 0.000 0.432 130 R N -1.321 119.280 120.500 0.169 0.000 2.148 130 R HA -0.193 4.148 4.340 0.001 0.000 0.227 130 R C 2.222 178.583 176.300 0.102 0.000 1.103 130 R CA 1.303 57.473 56.100 0.117 0.000 0.983 130 R CB -0.355 29.998 30.300 0.089 0.000 0.874 130 R HN 0.304 nan 8.270 nan 0.000 0.451 131 Y N -0.150 120.164 120.300 0.023 0.000 2.163 131 Y HA -0.222 4.328 4.550 0.001 0.000 0.288 131 Y C 1.528 177.384 175.900 -0.073 0.000 1.136 131 Y CA 1.399 59.454 58.100 -0.074 0.000 1.147 131 Y CB -0.310 38.068 38.460 -0.137 0.000 0.987 131 Y HN -0.015 nan 8.280 nan 0.000 0.509 132 Y N -0.225 120.139 120.300 0.107 0.000 2.439 132 Y HA -0.057 4.494 4.550 0.002 0.000 0.292 132 Y C 2.556 178.485 175.900 0.047 0.000 1.130 132 Y CA 0.646 58.798 58.100 0.087 0.000 1.254 132 Y CB -0.425 38.130 38.460 0.157 0.000 1.000 132 Y HN 0.281 nan 8.280 nan 0.000 0.554 133 A N 0.085 122.997 122.820 0.154 0.000 1.940 133 A HA -0.167 4.154 4.320 0.001 0.000 0.219 133 A C 2.510 180.103 177.584 0.014 0.000 1.176 133 A CA 1.789 53.885 52.037 0.099 0.000 0.631 133 A CB -1.390 17.653 19.000 0.070 0.000 0.814 133 A HN 0.468 nan 8.150 nan 0.000 0.446 134 G N -2.250 106.484 108.800 -0.110 0.000 2.443 134 G HA2 -0.215 3.745 3.960 0.001 0.000 0.219 134 G HA3 -0.215 3.745 3.960 0.001 0.000 0.219 134 G C 1.328 176.065 174.900 -0.272 0.000 1.131 134 G CA 0.710 45.665 45.100 -0.241 0.000 0.775 134 G HN 0.684 nan 8.290 nan 0.000 0.547 135 W N 0.718 121.905 121.300 -0.188 0.000 2.678 135 W HA 0.303 4.964 4.660 0.001 0.000 0.256 135 W C 2.737 179.239 176.519 -0.029 0.000 1.280 135 W CA 0.153 57.421 57.345 -0.129 0.000 1.345 135 W CB 0.290 29.671 29.460 -0.132 0.000 1.118 135 W HN 0.258 nan 8.180 nan 0.000 0.629 136 A N 1.288 124.234 122.820 0.209 0.000 1.915 136 A HA -0.302 4.019 4.320 0.001 0.000 0.220 136 A C 1.282 178.943 177.584 0.127 0.000 1.198 136 A CA 2.484 54.612 52.037 0.151 0.000 0.647 136 A CB -0.866 18.193 19.000 0.098 0.000 0.825 136 A HN 0.362 nan 8.150 nan 0.000 0.456 137 D N -2.438 118.020 120.400 0.096 0.000 2.593 137 D HA 0.254 4.894 4.640 0.001 0.000 0.241 137 D C 0.479 176.825 176.300 0.076 0.000 1.257 137 D CA -0.048 54.003 54.000 0.085 0.000 0.828 137 D CB 0.117 40.952 40.800 0.058 0.000 1.049 137 D HN 0.485 nan 8.370 nan 0.000 0.490 138 K N -0.770 119.682 120.400 0.087 0.000 2.477 138 K HA 0.064 4.385 4.320 0.001 0.000 0.208 138 K C -0.339 176.160 176.600 -0.168 0.000 1.117 138 K CA -0.445 55.784 56.287 -0.097 0.000 1.039 138 K CB 0.711 33.150 32.500 -0.102 0.000 0.937 138 K HN -0.031 nan 8.250 nan 0.000 0.570 139 Y N 3.194 123.487 120.300 -0.012 0.000 2.735 139 Y HA 0.107 4.658 4.550 0.002 0.000 0.354 139 Y C -0.414 175.486 175.900 0.001 0.000 1.288 139 Y CA -1.195 56.917 58.100 0.021 0.000 1.836 139 Y CB -1.278 37.230 38.460 0.079 0.000 1.920 139 Y HN 0.089 nan 8.280 nan 0.000 0.438 140 H N -0.093 118.979 119.070 0.004 0.000 2.929 140 H HA 0.273 4.830 4.556 0.002 0.000 0.358 140 H C 1.050 176.044 175.328 -0.556 0.000 1.111 140 H CA 0.413 56.361 56.048 -0.167 0.000 1.409 140 H CB 0.699 30.409 29.762 -0.087 0.000 1.373 140 H HN 0.640 nan 8.280 nan 0.000 0.610 141 G N 0.726 109.254 108.800 -0.454 0.000 2.574 141 G HA2 0.491 4.452 3.960 0.001 0.000 0.248 141 G HA3 0.491 4.452 3.960 0.001 0.000 0.248 141 G C -0.763 173.966 174.900 -0.284 0.000 1.422 141 G CA -0.873 43.760 45.100 -0.778 0.000 1.051 141 G HN 0.567 nan 8.290 nan 0.000 0.560 142 K N -0.796 119.524 120.400 -0.133 0.000 2.482 142 K HA 0.527 4.848 4.320 0.001 0.000 0.257 142 K C -1.184 175.460 176.600 0.074 0.000 0.969 142 K CA -0.734 55.539 56.287 -0.022 0.000 0.842 142 K CB 2.186 34.679 32.500 -0.012 0.000 1.359 142 K HN 0.606 nan 8.250 nan 0.000 0.441 143 T N -0.813 113.802 114.554 0.102 0.000 2.758 143 T HA 0.607 4.957 4.350 0.001 0.000 0.285 143 T C -0.101 174.692 174.700 0.154 0.000 0.981 143 T CA -0.709 61.515 62.100 0.208 0.000 0.965 143 T CB 0.039 69.056 68.868 0.248 0.000 0.927 143 T HN 0.379 nan 8.240 nan 0.000 0.448 144 I N 5.269 125.936 120.570 0.162 0.000 2.404 144 I HA 0.348 4.519 4.170 0.001 0.000 0.293 144 I C -1.812 174.385 176.117 0.133 0.000 0.992 144 I CA -2.775 58.591 61.300 0.110 0.000 1.149 144 I CB 2.406 40.442 38.000 0.060 0.000 1.315 144 I HN 0.487 nan 8.210 nan 0.000 0.446 145 P HA 0.124 nan 4.420 nan 0.000 0.225 145 P C 0.047 177.404 177.300 0.095 0.000 1.768 145 P CA 0.131 63.290 63.100 0.098 0.000 0.943 145 P CB 0.010 31.750 31.700 0.067 0.000 1.936 146 I N 0.898 121.538 120.570 0.117 0.000 2.836 146 I HA 0.030 4.201 4.170 0.001 0.000 0.285 146 I C 0.432 176.641 176.117 0.154 0.000 1.174 146 I CA -0.085 61.280 61.300 0.109 0.000 1.405 146 I CB 0.615 38.672 38.000 0.095 0.000 1.385 146 I HN 0.013 nan 8.210 nan 0.000 0.594 147 D N 4.685 125.167 120.400 0.136 0.000 2.362 147 D HA 0.352 4.993 4.640 0.001 0.000 0.238 147 D C 0.434 176.913 176.300 0.300 0.000 1.212 147 D CA 1.170 55.266 54.000 0.159 0.000 0.902 147 D CB 0.428 41.297 40.800 0.115 0.000 1.180 147 D HN 0.942 nan 8.370 nan 0.000 0.445 148 G N 0.714 109.638 108.800 0.207 0.000 2.877 148 G HA2 -0.211 3.750 3.960 0.001 0.000 0.279 148 G HA3 -0.211 3.750 3.960 0.001 0.000 0.279 148 G C -0.713 174.135 174.900 -0.086 0.000 1.431 148 G CA -0.533 44.649 45.100 0.137 0.000 0.883 148 G HN 0.557 nan 8.290 nan 0.000 0.547 149 D N 0.937 121.033 120.400 -0.508 0.000 2.551 149 D HA 0.464 5.105 4.640 0.001 0.000 0.223 149 D C -0.057 175.753 176.300 -0.817 0.000 1.144 149 D CA 1.002 54.698 54.000 -0.506 0.000 1.025 149 D CB -0.400 40.166 40.800 -0.389 0.000 1.085 149 D HN 0.273 nan 8.370 nan 0.000 0.506 150 F N 0.583 120.583 119.950 0.082 0.000 2.613 150 F HA 0.367 4.895 4.527 0.002 0.000 0.310 150 F C -0.438 175.487 175.800 0.207 0.000 1.085 150 F CA -1.463 56.606 58.000 0.116 0.000 0.945 150 F CB 1.699 40.742 39.000 0.073 0.000 1.298 150 F HN -0.097 nan 8.300 nan 0.000 0.455 151 F N 2.215 122.316 119.950 0.251 0.000 2.375 151 F HA 0.665 5.193 4.527 0.002 0.000 0.361 151 F C -0.575 175.372 175.800 0.245 0.000 1.117 151 F CA -1.207 56.911 58.000 0.196 0.000 1.037 151 F CB 0.969 40.062 39.000 0.156 0.000 1.192 151 F HN 0.284 nan 8.300 nan 0.000 0.452 152 S N 6.530 122.338 115.700 0.180 0.000 2.503 152 S HA 0.851 5.322 4.470 0.001 0.000 0.301 152 S C -1.358 173.212 174.600 -0.050 0.000 1.087 152 S CA -0.237 57.919 58.200 -0.073 0.000 1.042 152 S CB 0.894 64.086 63.200 -0.014 0.000 1.043 152 S HN 0.707 nan 8.310 nan 0.000 0.489 153 Y N -0.382 119.723 120.300 -0.324 0.000 2.713 153 Y HA 0.717 5.268 4.550 0.001 0.000 0.335 153 Y C -0.720 175.087 175.900 -0.155 0.000 1.222 153 Y CA -1.087 56.880 58.100 -0.221 0.000 1.061 153 Y CB 0.801 39.081 38.460 -0.300 0.000 1.314 153 Y HN 0.573 nan 8.280 nan 0.000 0.453 154 T N -0.485 114.073 114.554 0.007 0.000 2.893 154 T HA 0.706 5.057 4.350 0.001 0.000 0.291 154 T C -1.059 173.675 174.700 0.057 0.000 1.028 154 T CA -1.069 61.001 62.100 -0.051 0.000 0.995 154 T CB 2.056 70.929 68.868 0.007 0.000 1.051 154 T HN 0.833 nan 8.240 nan 0.000 0.470 155 R N 1.014 121.550 120.500 0.059 0.000 2.387 155 R HA 0.317 4.658 4.340 0.001 0.000 0.314 155 R C -0.426 176.002 176.300 0.213 0.000 0.958 155 R CA -0.670 55.502 56.100 0.119 0.000 0.846 155 R CB 0.983 31.344 30.300 0.102 0.000 1.147 155 R HN 0.740 nan 8.270 nan 0.000 0.447 156 H N 2.587 121.691 119.070 0.057 0.000 2.908 156 H HA 0.104 4.661 4.556 0.002 0.000 0.269 156 H C -0.259 175.137 175.328 0.112 0.000 1.303 156 H CA -0.302 55.791 56.048 0.075 0.000 1.341 156 H CB 0.726 30.521 29.762 0.055 0.000 1.519 156 H HN 0.402 nan 8.280 nan 0.000 0.505 157 E N 3.569 123.889 120.200 0.199 0.000 2.280 157 E HA 0.210 4.561 4.350 0.001 0.000 0.261 157 E C -2.395 174.319 176.600 0.190 0.000 1.088 157 E CA -2.162 54.341 56.400 0.171 0.000 0.915 157 E CB 0.772 30.559 29.700 0.145 0.000 1.141 157 E HN 0.374 nan 8.360 nan 0.000 0.433 158 P HA -0.040 nan 4.420 nan 0.000 0.275 158 P C 0.423 177.853 177.300 0.217 0.000 1.228 158 P CA -0.078 63.190 63.100 0.279 0.000 0.786 158 P CB 0.793 32.780 31.700 0.478 0.000 0.927 159 V N 1.914 121.895 119.914 0.111 0.000 2.809 159 V HA 0.086 4.206 4.120 0.001 0.000 0.256 159 V C 1.043 177.066 176.094 -0.119 0.000 1.080 159 V CA 2.556 64.864 62.300 0.013 0.000 1.102 159 V CB -1.165 30.639 31.823 -0.031 0.000 0.705 159 V HN 0.973 nan 8.190 nan 0.000 0.475 160 G N -0.826 107.787 108.800 -0.312 0.000 2.395 160 G HA2 -0.156 3.804 3.960 0.001 0.000 0.201 160 G HA3 -0.156 3.804 3.960 0.001 0.000 0.201 160 G C -0.427 174.105 174.900 -0.614 0.000 1.206 160 G CA -0.293 44.239 45.100 -0.945 0.000 1.210 160 G HN 0.582 nan 8.290 nan 0.000 0.557 161 V N 0.993 120.635 119.914 -0.455 0.000 2.415 161 V HA 0.396 4.517 4.120 0.001 0.000 0.267 161 V C 0.552 176.567 176.094 -0.133 0.000 1.042 161 V CA -0.097 62.061 62.300 -0.237 0.000 1.000 161 V CB 0.224 31.934 31.823 -0.188 0.000 1.015 161 V HN 0.833 nan 8.190 nan 0.000 0.478 162 C N 4.907 124.171 119.300 -0.060 0.000 2.281 162 C HA 0.705 5.166 4.460 0.001 0.000 0.325 162 C C 1.048 176.048 174.990 0.018 0.000 1.282 162 C CA -0.861 58.164 59.018 0.013 0.000 1.640 162 C CB 0.365 28.196 27.740 0.150 0.000 2.288 162 C HN 1.014 nan 8.230 nan 0.000 0.507 163 G N 2.847 111.657 108.800 0.017 0.000 2.338 163 G HA2 0.532 4.493 3.960 0.001 0.000 0.298 163 G HA3 0.532 4.493 3.960 0.001 0.000 0.298 163 G C -0.839 174.103 174.900 0.070 0.000 1.140 163 G CA -0.138 44.981 45.100 0.031 0.000 0.860 163 G HN 0.806 nan 8.290 nan 0.000 0.470 164 Q N 1.716 121.558 119.800 0.071 0.000 2.320 164 Q HA 0.368 4.709 4.340 0.001 0.000 0.268 164 Q C -0.811 175.237 176.000 0.081 0.000 1.023 164 Q CA -0.368 55.486 55.803 0.086 0.000 0.744 164 Q CB 2.412 31.192 28.738 0.069 0.000 1.246 164 Q HN 0.537 nan 8.270 nan 0.000 0.462 165 I N 4.768 125.410 120.570 0.121 0.000 2.339 165 I HA 0.462 4.633 4.170 0.001 0.000 0.290 165 I C -0.049 176.072 176.117 0.006 0.000 0.994 165 I CA -0.698 60.685 61.300 0.138 0.000 1.191 165 I CB 0.773 38.977 38.000 0.340 0.000 1.343 165 I HN 0.508 nan 8.210 nan 0.000 0.458 166 I N 5.170 125.716 120.570 -0.039 0.000 2.846 166 I HA 0.759 4.930 4.170 0.001 0.000 0.307 166 I C -2.662 173.371 176.117 -0.140 0.000 1.053 166 I CA -2.238 58.978 61.300 -0.139 0.000 1.050 166 I CB 2.162 40.100 38.000 -0.103 0.000 1.239 166 I HN 0.232 nan 8.210 nan 0.000 0.439 167 P HA 0.146 nan 4.420 nan 0.000 0.312 167 P C -0.226 176.960 177.300 -0.191 0.000 1.308 167 P CA -0.075 62.855 63.100 -0.284 0.000 0.743 167 P CB 0.633 32.036 31.700 -0.494 0.000 1.364 168 W N -0.057 121.196 121.300 -0.078 0.000 3.058 168 W HA 0.052 4.713 4.660 0.003 0.000 0.306 168 W C 1.019 177.443 176.519 -0.158 0.000 1.188 168 W CA 0.241 57.529 57.345 -0.096 0.000 1.651 168 W CB -1.671 27.739 29.460 -0.083 0.000 1.051 168 W HN 0.189 nan 8.180 nan 0.000 0.592 169 N N 2.454 120.828 118.700 -0.543 0.000 2.120 169 N HA -0.206 4.535 4.740 0.001 0.000 0.188 169 N C -0.011 174.993 175.510 -0.842 0.000 1.024 169 N CA 1.105 53.769 53.050 -0.644 0.000 0.852 169 N CB -1.269 36.685 38.487 -0.887 0.000 1.003 169 N HN 0.118 nan 8.380 nan 0.000 0.424 170 F N -0.286 119.506 119.950 -0.263 0.000 2.660 170 F HA 0.442 4.970 4.527 0.002 0.000 0.352 170 F C -1.766 173.898 175.800 -0.226 0.000 1.257 170 F CA -2.199 55.644 58.000 -0.262 0.000 1.200 170 F CB 2.117 40.882 39.000 -0.392 0.000 1.473 170 F HN -0.159 nan 8.300 nan 0.000 0.561 171 P HA -0.234 nan 4.420 nan 0.000 0.213 171 P C 1.916 179.201 177.300 -0.025 0.000 1.176 171 P CA 1.752 64.841 63.100 -0.018 0.000 0.919 171 P CB 0.368 32.072 31.700 0.006 0.000 0.791 172 L N -2.047 119.171 121.223 -0.007 0.000 2.017 172 L HA -0.175 4.166 4.340 0.001 0.000 0.208 172 L C 2.475 179.321 176.870 -0.040 0.000 1.073 172 L CA 1.040 55.878 54.840 -0.004 0.000 0.745 172 L CB -1.010 41.061 42.059 0.020 0.000 0.894 172 L HN -0.014 nan 8.230 nan 0.000 0.432 173 L N -0.811 120.361 121.223 -0.084 0.000 2.017 173 L HA -0.219 4.122 4.340 0.001 0.000 0.208 173 L C 2.492 179.106 176.870 -0.426 0.000 1.073 173 L CA 1.836 56.541 54.840 -0.224 0.000 0.745 173 L CB -0.431 41.412 42.059 -0.360 0.000 0.894 173 L HN 0.177 nan 8.230 nan 0.000 0.432 174 M N -0.922 118.428 119.600 -0.417 0.000 2.159 174 M HA -0.238 4.242 4.480 0.001 0.000 0.263 174 M C 2.248 178.458 176.300 -0.150 0.000 1.063 174 M CA 1.668 56.735 55.300 -0.389 0.000 1.110 174 M CB -1.296 31.135 32.600 -0.281 0.000 1.374 174 M HN 0.527 nan 8.290 nan 0.000 0.411 175 Q N -0.039 119.704 119.800 -0.095 0.000 2.050 175 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 175 Q C 2.044 178.041 176.000 -0.005 0.000 0.980 175 Q CA 1.978 57.755 55.803 -0.042 0.000 0.840 175 Q CB -0.056 28.661 28.738 -0.035 0.000 0.898 175 Q HN 0.446 nan 8.270 nan 0.000 0.424 176 A N 0.284 123.123 122.820 0.031 0.000 1.883 176 A HA -0.194 4.127 4.320 0.001 0.000 0.217 176 A C 1.579 179.298 177.584 0.225 0.000 1.186 176 A CA 1.418 53.528 52.037 0.121 0.000 0.624 176 A CB -1.292 17.811 19.000 0.171 0.000 0.822 176 A HN 0.674 nan 8.150 nan 0.000 0.444 177 W N 0.279 121.552 121.300 -0.044 0.000 2.387 177 W HA -0.056 4.606 4.660 0.002 0.000 0.272 177 W C 2.078 178.534 176.519 -0.104 0.000 1.224 177 W CA 1.286 58.606 57.345 -0.041 0.000 1.210 177 W CB -0.183 29.254 29.460 -0.039 0.000 1.125 177 W HN 0.258 nan 8.180 nan 0.000 0.572 178 K N -0.483 119.984 120.400 0.112 0.000 2.141 178 K HA 0.117 4.438 4.320 0.001 0.000 0.202 178 K C 2.039 178.532 176.600 -0.178 0.000 1.045 178 K CA 0.634 56.914 56.287 -0.013 0.000 0.971 178 K CB -0.871 31.644 32.500 0.024 0.000 0.795 178 K HN 0.208 nan 8.250 nan 0.000 0.459 179 L N 0.393 121.537 121.223 -0.132 0.000 2.072 179 L HA -0.060 4.281 4.340 0.001 0.000 0.205 179 L C 2.481 179.227 176.870 -0.206 0.000 1.079 179 L CA 1.289 56.023 54.840 -0.178 0.000 0.752 179 L CB -1.066 40.902 42.059 -0.153 0.000 0.906 179 L HN 0.254 nan 8.230 nan 0.000 0.436 180 G N 1.438 110.135 108.800 -0.172 0.000 2.586 180 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 180 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 180 G C -0.494 174.093 174.900 -0.521 0.000 1.216 180 G CA 1.187 46.177 45.100 -0.184 0.000 0.786 180 G HN 0.314 nan 8.290 nan 0.000 0.583 181 P HA 0.003 nan 4.420 nan 0.000 0.217 181 P C 2.067 178.947 177.300 -0.699 0.000 1.151 181 P CA 1.992 64.466 63.100 -1.043 0.000 0.828 181 P CB -0.155 30.906 31.700 -1.066 0.000 0.788 182 A N 0.663 122.965 122.820 -0.863 0.000 1.858 182 A HA -0.136 4.185 4.320 0.001 0.000 0.216 182 A C 2.481 179.997 177.584 -0.113 0.000 1.190 182 A CA 1.569 53.220 52.037 -0.643 0.000 0.617 182 A CB -1.633 17.043 19.000 -0.540 0.000 0.827 182 A HN 0.111 nan 8.150 nan 0.000 0.443 183 L N -0.869 120.340 121.223 -0.023 0.000 2.093 183 L HA -0.136 4.205 4.340 0.001 0.000 0.208 183 L C 3.019 180.085 176.870 0.327 0.000 1.085 183 L CA 0.920 55.939 54.840 0.298 0.000 0.755 183 L CB -0.593 41.612 42.059 0.242 0.000 0.904 183 L HN 0.435 nan 8.230 nan 0.000 0.435 184 A N 0.126 123.032 122.820 0.144 0.000 2.019 184 A HA -0.163 4.158 4.320 0.001 0.000 0.219 184 A C 2.161 179.811 177.584 0.110 0.000 1.164 184 A CA 2.024 54.152 52.037 0.152 0.000 0.644 184 A CB -0.736 18.372 19.000 0.181 0.000 0.805 184 A HN 0.520 nan 8.150 nan 0.000 0.449 185 T N -4.410 110.189 114.554 0.076 0.000 3.122 185 T HA 0.433 4.784 4.350 0.001 0.000 0.250 185 T C 1.143 175.913 174.700 0.118 0.000 1.067 185 T CA 0.820 62.974 62.100 0.090 0.000 0.966 185 T CB 0.139 69.047 68.868 0.067 0.000 1.002 185 T HN 1.629 nan 8.240 nan 0.000 0.542 186 G N 1.829 110.707 108.800 0.131 0.000 2.182 186 G HA2 -0.221 3.740 3.960 0.001 0.000 0.248 186 G HA3 -0.221 3.740 3.960 0.001 0.000 0.248 186 G C -0.210 174.973 174.900 0.471 0.000 1.042 186 G CA -0.392 44.738 45.100 0.050 0.000 0.775 186 G HN 0.570 nan 8.290 nan 0.000 0.501 187 N N -0.913 118.112 118.700 0.542 0.000 2.478 187 N HA 0.667 5.408 4.740 0.001 0.000 0.275 187 N C 0.369 176.169 175.510 0.484 0.000 1.221 187 N CA 0.210 53.530 53.050 0.451 0.000 0.979 187 N CB 2.079 40.709 38.487 0.239 0.000 1.202 187 N HN 0.592 nan 8.380 nan 0.000 0.564 188 V N -1.535 118.504 119.914 0.209 0.000 2.581 188 V HA 0.695 4.816 4.120 0.001 0.000 0.303 188 V C -0.021 176.059 176.094 -0.023 0.000 1.041 188 V CA -0.758 61.571 62.300 0.048 0.000 0.907 188 V CB 1.463 33.324 31.823 0.062 0.000 0.994 188 V HN 0.254 nan 8.190 nan 0.000 0.442 189 V N 3.209 123.081 119.914 -0.070 0.000 2.715 189 V HA 0.650 4.771 4.120 0.001 0.000 0.310 189 V C -0.378 175.685 176.094 -0.051 0.000 1.054 189 V CA -0.625 61.642 62.300 -0.055 0.000 0.928 189 V CB 2.094 33.869 31.823 -0.079 0.000 1.007 189 V HN 0.764 nan 8.190 nan 0.000 0.437 190 V N 4.608 124.505 119.914 -0.028 0.000 2.385 190 V HA 0.413 4.534 4.120 0.001 0.000 0.277 190 V C -0.282 175.817 176.094 0.008 0.000 1.012 190 V CA -0.179 62.113 62.300 -0.014 0.000 0.832 190 V CB 1.339 33.147 31.823 -0.026 0.000 1.028 190 V HN 0.907 nan 8.190 nan 0.000 0.436 191 M N 4.861 124.467 119.600 0.009 0.000 2.209 191 M HA 0.545 5.026 4.480 0.001 0.000 0.355 191 M C -0.414 175.912 176.300 0.042 0.000 1.171 191 M CA -0.475 54.836 55.300 0.019 0.000 1.069 191 M CB 1.019 33.614 32.600 -0.009 0.000 1.622 191 M HN 0.338 nan 8.290 nan 0.000 0.459 192 K N 5.884 126.316 120.400 0.053 0.000 2.414 192 K HA 0.315 4.636 4.320 0.001 0.000 0.251 192 K C -1.117 175.514 176.600 0.052 0.000 1.037 192 K CA -0.358 55.967 56.287 0.065 0.000 0.980 192 K CB 0.356 32.904 32.500 0.079 0.000 1.280 192 K HN 0.682 nan 8.250 nan 0.000 0.451 193 V N 0.978 120.922 119.914 0.050 0.000 3.003 193 V HA 0.548 4.669 4.120 0.001 0.000 0.305 193 V C 0.566 176.678 176.094 0.030 0.000 1.078 193 V CA -1.045 61.279 62.300 0.040 0.000 1.083 193 V CB 0.832 32.688 31.823 0.056 0.000 1.039 193 V HN 0.660 nan 8.190 nan 0.000 0.481 194 A N 3.043 125.885 122.820 0.036 0.000 2.477 194 A HA 0.282 4.603 4.320 0.001 0.000 0.246 194 A C 1.341 178.911 177.584 -0.023 0.000 1.078 194 A CA 0.273 52.334 52.037 0.041 0.000 0.770 194 A CB 0.069 19.164 19.000 0.157 0.000 1.011 194 A HN 1.146 nan 8.150 nan 0.000 0.494 195 E N 2.263 122.341 120.200 -0.203 0.000 2.265 195 E HA -0.269 4.082 4.350 0.001 0.000 0.196 195 E C 1.038 177.544 176.600 -0.158 0.000 0.996 195 E CA 1.716 57.852 56.400 -0.438 0.000 0.832 195 E CB -0.242 28.737 29.700 -1.203 0.000 0.756 195 E HN 0.822 nan 8.360 nan 0.000 0.491 196 Q N 0.658 120.401 119.800 -0.095 0.000 2.230 196 Q HA -0.001 4.340 4.340 0.001 0.000 0.202 196 Q C 0.590 176.589 176.000 -0.002 0.000 0.963 196 Q CA 1.746 57.495 55.803 -0.090 0.000 0.866 196 Q CB 0.409 28.991 28.738 -0.259 0.000 0.931 196 Q HN 0.471 nan 8.270 nan 0.000 0.452 197 T N -3.625 110.966 114.554 0.063 0.000 3.583 197 T HA 0.272 4.623 4.350 0.001 0.000 0.266 197 T C -2.458 172.290 174.700 0.079 0.000 1.296 197 T CA -1.211 60.931 62.100 0.071 0.000 1.668 197 T CB 1.137 70.062 68.868 0.096 0.000 0.832 197 T HN -0.041 nan 8.240 nan 0.000 0.649 198 P HA 0.181 nan 4.420 nan 0.000 0.228 198 P C 1.698 179.053 177.300 0.091 0.000 1.166 198 P CA -0.069 63.098 63.100 0.112 0.000 0.812 198 P CB 0.368 32.179 31.700 0.186 0.000 0.857 199 L N 0.620 121.881 121.223 0.064 0.000 1.978 199 L HA -0.200 4.141 4.340 0.001 0.000 0.218 199 L C 2.831 179.764 176.870 0.105 0.000 1.075 199 L CA 3.013 57.889 54.840 0.060 0.000 0.767 199 L CB -2.235 39.836 42.059 0.020 0.000 0.890 199 L HN 0.120 nan 8.230 nan 0.000 0.434 200 T N -1.963 112.638 114.554 0.079 0.000 2.720 200 T HA -0.184 4.167 4.350 0.001 0.000 0.268 200 T C 1.906 176.695 174.700 0.148 0.000 1.037 200 T CA 1.123 63.286 62.100 0.105 0.000 1.144 200 T CB -0.553 68.344 68.868 0.049 0.000 0.864 200 T HN 0.367 nan 8.240 nan 0.000 0.444 201 A N 1.157 124.036 122.820 0.099 0.000 2.015 201 A HA 0.254 4.575 4.320 0.001 0.000 0.219 201 A C 2.400 180.032 177.584 0.081 0.000 1.163 201 A CA 0.904 52.982 52.037 0.068 0.000 0.646 201 A CB -0.769 18.255 19.000 0.039 0.000 0.806 201 A HN 0.558 nan 8.150 nan 0.000 0.448 202 L N -2.501 118.817 121.223 0.157 0.000 2.179 202 L HA -0.100 4.241 4.340 0.001 0.000 0.208 202 L C 2.488 179.539 176.870 0.302 0.000 1.096 202 L CA 1.201 56.201 54.840 0.267 0.000 0.779 202 L CB -0.497 41.728 42.059 0.276 0.000 0.922 202 L HN 0.561 nan 8.230 nan 0.000 0.443 203 Y N 0.225 120.622 120.300 0.162 0.000 2.242 203 Y HA -0.200 4.350 4.550 0.001 0.000 0.291 203 Y C 2.369 178.342 175.900 0.123 0.000 1.137 203 Y CA 1.339 59.553 58.100 0.191 0.000 1.181 203 Y CB -0.112 38.502 38.460 0.256 0.000 0.989 203 Y HN -0.173 nan 8.280 nan 0.000 0.527 204 V N 0.254 120.240 119.914 0.121 0.000 2.490 204 V HA -0.323 3.798 4.120 0.001 0.000 0.250 204 V C 2.589 178.559 176.094 -0.207 0.000 1.061 204 V CA 1.626 63.920 62.300 -0.010 0.000 1.064 204 V CB -1.405 30.429 31.823 0.019 0.000 0.670 204 V HN 0.568 nan 8.190 nan 0.000 0.461 205 A N 0.120 122.745 122.820 -0.326 0.000 1.972 205 A HA -0.253 4.068 4.320 0.001 0.000 0.219 205 A C 2.062 179.193 177.584 -0.754 0.000 1.169 205 A CA 2.122 53.660 52.037 -0.832 0.000 0.635 205 A CB -0.697 17.512 19.000 -1.317 0.000 0.810 205 A HN 0.570 nan 8.150 nan 0.000 0.446 206 N N 0.012 118.525 118.700 -0.311 0.000 2.188 206 N HA -0.039 4.702 4.740 0.001 0.000 0.184 206 N C 1.504 176.923 175.510 -0.150 0.000 1.018 206 N CA 1.258 54.250 53.050 -0.097 0.000 0.858 206 N CB -0.333 38.071 38.487 -0.138 0.000 0.989 206 N HN 0.502 nan 8.380 nan 0.000 0.426 207 L N -0.216 120.875 121.223 -0.219 0.000 2.217 207 L HA 0.015 4.356 4.340 0.001 0.000 0.211 207 L C 2.005 178.870 176.870 -0.009 0.000 1.107 207 L CA 0.450 55.231 54.840 -0.099 0.000 0.783 207 L CB -0.230 41.795 42.059 -0.056 0.000 0.919 207 L HN 0.178 nan 8.230 nan 0.000 0.442 208 I N 0.245 120.769 120.570 -0.077 0.000 2.226 208 I HA -0.306 3.865 4.170 0.001 0.000 0.245 208 I C 2.756 178.978 176.117 0.175 0.000 1.100 208 I CA 1.371 62.667 61.300 -0.006 0.000 1.374 208 I CB -0.179 37.643 38.000 -0.298 0.000 1.057 208 I HN 0.277 nan 8.210 nan 0.000 0.413 209 K N 1.141 121.609 120.400 0.114 0.000 2.001 209 K HA -0.258 4.063 4.320 0.001 0.000 0.208 209 K C 2.095 178.765 176.600 0.116 0.000 1.048 209 K CA 1.737 58.123 56.287 0.166 0.000 0.932 209 K CB -0.151 32.463 32.500 0.190 0.000 0.715 209 K HN 0.223 nan 8.250 nan 0.000 0.437 210 E N -0.052 120.193 120.200 0.076 0.000 2.118 210 E HA -0.201 4.150 4.350 0.001 0.000 0.195 210 E C 1.640 178.277 176.600 0.062 0.000 0.992 210 E CA 1.049 57.480 56.400 0.052 0.000 0.804 210 E CB -0.124 29.588 29.700 0.020 0.000 0.741 210 E HN 0.461 nan 8.360 nan 0.000 0.458 211 A N -0.007 122.873 122.820 0.101 0.000 2.070 211 A HA 0.025 4.346 4.320 0.001 0.000 0.220 211 A C 1.877 179.456 177.584 -0.009 0.000 1.159 211 A CA 1.464 53.550 52.037 0.083 0.000 0.656 211 A CB -0.499 18.632 19.000 0.217 0.000 0.800 211 A HN 0.541 nan 8.150 nan 0.000 0.453 212 G N -2.893 105.932 108.800 0.042 0.000 2.148 212 G HA2 -0.187 3.774 3.960 0.001 0.000 0.203 212 G HA3 -0.187 3.774 3.960 0.001 0.000 0.203 212 G C -0.021 174.867 174.900 -0.020 0.000 0.993 212 G CA -0.180 44.921 45.100 0.002 0.000 0.661 212 G HN 0.291 nan 8.290 nan 0.000 0.518 213 F N 1.716 121.675 119.950 0.015 0.000 2.538 213 F HA 0.397 4.925 4.527 0.002 0.000 0.371 213 F C -1.178 174.596 175.800 -0.044 0.000 1.087 213 F CA -1.330 56.648 58.000 -0.037 0.000 1.250 213 F CB 0.520 39.439 39.000 -0.135 0.000 1.110 213 F HN -0.092 nan 8.300 nan 0.000 0.570 214 P HA 0.008 nan 4.420 nan 0.000 0.266 214 P C -2.410 174.895 177.300 0.007 0.000 1.195 214 P CA -0.840 62.307 63.100 0.078 0.000 0.768 214 P CB -0.125 31.660 31.700 0.141 0.000 0.838 215 P HA -0.053 nan 4.420 nan 0.000 0.265 215 P C 0.880 178.135 177.300 -0.075 0.000 1.193 215 P CA 1.067 64.127 63.100 -0.067 0.000 0.765 215 P CB 0.252 31.909 31.700 -0.073 0.000 0.823 216 G N 1.709 110.441 108.800 -0.112 0.000 2.217 216 G HA2 -0.300 3.661 3.960 0.001 0.000 0.246 216 G HA3 -0.300 3.661 3.960 0.001 0.000 0.246 216 G C 0.867 175.696 174.900 -0.120 0.000 0.990 216 G CA 0.156 45.201 45.100 -0.092 0.000 0.627 216 G HN 0.387 nan 8.290 nan 0.000 0.522 217 V N -0.077 119.713 119.914 -0.207 0.000 2.427 217 V HA 0.104 4.225 4.120 0.001 0.000 0.248 217 V C 1.368 177.277 176.094 -0.309 0.000 1.051 217 V CA 1.984 64.038 62.300 -0.411 0.000 1.048 217 V CB 0.192 31.538 31.823 -0.794 0.000 0.666 217 V HN 0.411 nan 8.190 nan 0.000 0.456 218 V N 1.496 121.281 119.914 -0.215 0.000 2.525 218 V HA 0.477 4.598 4.120 0.001 0.000 0.299 218 V C -0.893 175.208 176.094 0.010 0.000 1.034 218 V CA -0.783 61.420 62.300 -0.163 0.000 0.863 218 V CB 1.767 33.416 31.823 -0.290 0.000 0.999 218 V HN 0.397 nan 8.190 nan 0.000 0.423 219 N N 5.333 124.037 118.700 0.006 0.000 2.399 219 N HA 0.600 5.341 4.740 0.001 0.000 0.280 219 N C -1.119 174.428 175.510 0.062 0.000 1.008 219 N CA -0.346 52.748 53.050 0.072 0.000 0.894 219 N CB 2.893 41.381 38.487 0.003 0.000 1.273 219 N HN 0.530 nan 8.380 nan 0.000 0.486 220 I N 1.884 122.522 120.570 0.114 0.000 2.355 220 I HA 0.275 4.445 4.170 0.001 0.000 0.288 220 I C -0.220 175.973 176.117 0.127 0.000 0.999 220 I CA -0.917 60.430 61.300 0.078 0.000 1.163 220 I CB 1.713 39.729 38.000 0.026 0.000 1.316 220 I HN 0.038 nan 8.210 nan 0.000 0.454 221 V N 8.567 128.548 119.914 0.112 0.000 2.277 221 V HA 0.279 4.400 4.120 0.001 0.000 0.269 221 V C -2.054 174.127 176.094 0.145 0.000 1.036 221 V CA -1.581 60.801 62.300 0.136 0.000 0.821 221 V CB 0.814 32.706 31.823 0.116 0.000 1.052 221 V HN 0.567 nan 8.190 nan 0.000 0.462 222 P HA 0.584 nan 4.420 nan 0.000 0.279 222 P C 0.155 177.601 177.300 0.244 0.000 1.239 222 P CA 0.447 63.677 63.100 0.216 0.000 0.789 222 P CB 2.283 34.148 31.700 0.275 0.000 0.933 223 G N 1.307 110.141 108.800 0.057 0.000 2.336 223 G HA2 0.337 4.298 3.960 0.001 0.000 0.286 223 G HA3 0.337 4.298 3.960 0.001 0.000 0.286 223 G C -1.677 172.939 174.900 -0.472 0.000 1.269 223 G CA -0.721 44.311 45.100 -0.115 0.000 0.873 223 G HN 0.259 nan 8.290 nan 0.000 0.494 224 F N 0.448 120.302 119.950 -0.160 0.000 2.380 224 F HA 0.589 5.117 4.527 0.001 0.000 0.319 224 F C 1.783 177.557 175.800 -0.043 0.000 1.113 224 F CA 0.718 58.634 58.000 -0.140 0.000 1.056 224 F CB 1.330 40.242 39.000 -0.147 0.000 1.289 224 F HN 0.647 nan 8.300 nan 0.000 0.515 225 G N 0.334 109.232 108.800 0.164 0.000 2.505 225 G HA2 -0.102 3.859 3.960 0.001 0.000 0.214 225 G HA3 -0.102 3.859 3.960 0.001 0.000 0.214 225 G C -0.981 173.974 174.900 0.091 0.000 1.237 225 G CA 0.530 45.699 45.100 0.114 0.000 0.802 225 G HN 0.488 nan 8.290 nan 0.000 0.549 226 P HA -0.080 nan 4.420 nan 0.000 0.220 226 P C 1.842 179.168 177.300 0.042 0.000 1.144 226 P CA 2.127 65.251 63.100 0.039 0.000 0.800 226 P CB -0.080 31.633 31.700 0.021 0.000 0.772 227 T N -3.603 110.996 114.554 0.076 0.000 3.523 227 T HA 0.260 4.611 4.350 0.001 0.000 0.216 227 T C 1.939 176.689 174.700 0.084 0.000 0.922 227 T CA 0.575 62.720 62.100 0.076 0.000 1.558 227 T CB -1.211 67.720 68.868 0.104 0.000 1.424 227 T HN -0.089 nan 8.240 nan 0.000 0.452 228 A N 1.907 124.792 122.820 0.108 0.000 1.865 228 A HA 0.164 4.485 4.320 0.001 0.000 0.217 228 A C 2.678 180.314 177.584 0.087 0.000 1.191 228 A CA 2.240 54.337 52.037 0.101 0.000 0.623 228 A CB -1.834 17.229 19.000 0.105 0.000 0.826 228 A HN 0.725 nan 8.150 nan 0.000 0.444 229 G N -0.663 108.187 108.800 0.083 0.000 2.459 229 G HA2 -0.034 3.927 3.960 0.001 0.000 0.217 229 G HA3 -0.034 3.927 3.960 0.001 0.000 0.217 229 G C 1.763 176.693 174.900 0.050 0.000 1.183 229 G CA 1.687 46.833 45.100 0.077 0.000 0.776 229 G HN 0.925 nan 8.290 nan 0.000 0.552 230 A N 0.947 123.788 122.820 0.035 0.000 2.019 230 A HA 0.300 4.621 4.320 0.001 0.000 0.219 230 A C 2.768 180.370 177.584 0.030 0.000 1.164 230 A CA 2.097 54.142 52.037 0.013 0.000 0.644 230 A CB -0.610 18.392 19.000 0.003 0.000 0.805 230 A HN 0.779 nan 8.150 nan 0.000 0.449 231 A N 0.182 123.033 122.820 0.052 0.000 1.877 231 A HA -0.086 4.235 4.320 0.001 0.000 0.216 231 A C 2.113 179.767 177.584 0.118 0.000 1.186 231 A CA 1.534 53.614 52.037 0.072 0.000 0.620 231 A CB -0.564 18.490 19.000 0.089 0.000 0.822 231 A HN 0.495 nan 8.150 nan 0.000 0.443 232 I N -0.274 120.360 120.570 0.107 0.000 2.142 232 I HA -0.265 3.905 4.170 0.001 0.000 0.240 232 I C 2.987 179.155 176.117 0.086 0.000 1.078 232 I CA 1.113 62.475 61.300 0.103 0.000 1.343 232 I CB -0.422 37.622 38.000 0.073 0.000 1.046 232 I HN 0.345 nan 8.210 nan 0.000 0.405 233 A N -0.162 122.688 122.820 0.050 0.000 1.978 233 A HA -0.179 4.142 4.320 0.001 0.000 0.220 233 A C 2.308 179.907 177.584 0.025 0.000 1.170 233 A CA 2.215 54.263 52.037 0.020 0.000 0.636 233 A CB -0.507 18.479 19.000 -0.024 0.000 0.810 233 A HN 0.429 nan 8.150 nan 0.000 0.448 234 S N -1.231 114.491 115.700 0.036 0.000 2.540 234 S HA 0.091 4.562 4.470 0.001 0.000 0.218 234 S C 0.524 175.151 174.600 0.045 0.000 0.977 234 S CA -0.547 57.667 58.200 0.023 0.000 0.918 234 S CB -0.189 63.008 63.200 -0.004 0.000 0.806 234 S HN 0.664 nan 8.310 nan 0.000 0.496 235 H N 3.041 122.109 119.070 -0.003 0.000 2.886 235 H HA 0.093 4.649 4.556 0.001 0.000 0.329 235 H C 0.790 176.116 175.328 -0.003 0.000 1.044 235 H CA 0.475 56.523 56.048 0.000 0.000 1.456 235 H CB 0.599 30.364 29.762 0.005 0.000 1.464 235 H HN 0.141 nan 8.280 nan 0.000 0.573 236 E N 3.179 123.495 120.200 0.194 0.000 2.511 236 E HA -0.102 4.249 4.350 0.001 0.000 0.196 236 E C 0.471 177.184 176.600 0.189 0.000 1.066 236 E CA 0.561 57.047 56.400 0.143 0.000 0.871 236 E CB 0.295 30.025 29.700 0.049 0.000 0.863 236 E HN 0.585 nan 8.360 nan 0.000 0.520 237 D N -0.634 119.959 120.400 0.322 0.000 2.469 237 D HA 0.037 4.677 4.640 0.001 0.000 0.213 237 D C -0.491 175.782 176.300 -0.045 0.000 1.135 237 D CA 0.006 54.063 54.000 0.095 0.000 0.834 237 D CB 0.807 41.658 40.800 0.084 0.000 1.009 237 D HN -0.203 nan 8.370 nan 0.000 0.507 238 V N 2.052 121.942 119.914 -0.039 0.000 2.408 238 V HA 0.105 4.225 4.120 0.001 0.000 0.267 238 V C 0.928 176.994 176.094 -0.046 0.000 1.047 238 V CA -0.148 62.104 62.300 -0.080 0.000 0.937 238 V CB 1.518 33.310 31.823 -0.051 0.000 0.999 238 V HN 0.100 nan 8.190 nan 0.000 0.472 239 D N 3.078 123.431 120.400 -0.078 0.000 2.194 239 D HA 0.016 4.657 4.640 0.001 0.000 0.204 239 D C 0.870 177.129 176.300 -0.069 0.000 0.964 239 D CA 1.052 55.009 54.000 -0.072 0.000 0.846 239 D CB 0.546 41.281 40.800 -0.109 0.000 0.962 239 D HN 0.375 nan 8.370 nan 0.000 0.490 240 K N 0.586 120.941 120.400 -0.075 0.000 2.542 240 K HA 0.346 4.667 4.320 0.001 0.000 0.259 240 K C -1.969 174.597 176.600 -0.057 0.000 0.932 240 K CA -0.619 55.617 56.287 -0.086 0.000 0.820 240 K CB 2.911 35.326 32.500 -0.141 0.000 1.345 240 K HN -0.139 nan 8.250 nan 0.000 0.432 241 V N 1.898 121.784 119.914 -0.047 0.000 2.656 241 V HA 0.835 4.956 4.120 0.001 0.000 0.307 241 V C -1.394 174.711 176.094 0.018 0.000 1.051 241 V CA -0.416 61.887 62.300 0.005 0.000 0.893 241 V CB 1.634 33.471 31.823 0.024 0.000 0.999 241 V HN 0.863 nan 8.190 nan 0.000 0.426 242 A N 6.551 129.417 122.820 0.076 0.000 2.310 242 A HA 0.798 5.119 4.320 0.001 0.000 0.304 242 A C -1.263 176.430 177.584 0.182 0.000 1.231 242 A CA -0.405 51.697 52.037 0.109 0.000 0.799 242 A CB 0.749 19.837 19.000 0.147 0.000 1.162 242 A HN 1.101 nan 8.150 nan 0.000 0.486 243 F N 2.232 122.202 119.950 0.033 0.000 2.495 243 F HA 0.736 5.264 4.527 0.001 0.000 0.327 243 F C -0.233 175.592 175.800 0.041 0.000 1.103 243 F CA -0.067 57.952 58.000 0.031 0.000 0.949 243 F CB 2.268 41.278 39.000 0.017 0.000 1.142 243 F HN 0.372 nan 8.300 nan 0.000 0.457 244 T N 4.514 118.471 114.554 -0.994 0.000 2.881 244 T HA 0.757 5.107 4.350 0.001 0.000 0.291 244 T C -0.203 173.772 174.700 -1.208 0.000 0.990 244 T CA -0.240 61.397 62.100 -0.771 0.000 0.976 244 T CB 1.087 69.752 68.868 -0.338 0.000 0.970 244 T HN 1.113 nan 8.240 nan 0.000 0.438 245 G N 1.885 110.175 108.800 -0.850 0.000 2.392 245 G HA2 0.451 4.412 3.960 0.001 0.000 0.260 245 G HA3 0.451 4.412 3.960 0.001 0.000 0.260 245 G C -0.637 174.228 174.900 -0.058 0.000 1.226 245 G CA -0.290 44.533 45.100 -0.461 0.000 0.913 245 G HN 0.907 nan 8.290 nan 0.000 0.483 246 S N -0.288 115.475 115.700 0.105 0.000 2.576 246 S HA 0.407 4.877 4.470 0.001 0.000 0.276 246 S C 1.361 176.092 174.600 0.217 0.000 1.339 246 S CA 1.015 59.275 58.200 0.100 0.000 1.039 246 S CB 1.285 64.529 63.200 0.074 0.000 0.902 246 S HN 0.830 nan 8.310 nan 0.000 0.516 247 T N 1.500 116.166 114.554 0.186 0.000 2.759 247 T HA -0.159 4.191 4.350 0.001 0.000 0.269 247 T C 1.594 176.365 174.700 0.117 0.000 1.042 247 T CA 1.739 63.953 62.100 0.189 0.000 1.140 247 T CB -0.497 68.507 68.868 0.227 0.000 0.864 247 T HN 0.858 nan 8.240 nan 0.000 0.455 248 E N 0.475 120.733 120.200 0.097 0.000 2.038 248 E HA -0.160 4.191 4.350 0.001 0.000 0.195 248 E C 1.884 178.485 176.600 0.003 0.000 1.000 248 E CA 1.162 57.589 56.400 0.046 0.000 0.803 248 E CB -0.046 29.683 29.700 0.049 0.000 0.750 248 E HN 0.296 nan 8.360 nan 0.000 0.448 249 I N 0.765 121.340 120.570 0.008 0.000 2.676 249 I HA -0.067 4.104 4.170 0.001 0.000 0.259 249 I C 2.402 178.288 176.117 -0.385 0.000 1.194 249 I CA 1.071 62.280 61.300 -0.152 0.000 1.473 249 I CB -1.569 36.370 38.000 -0.101 0.000 1.096 249 I HN 0.199 nan 8.210 nan 0.000 0.443 250 G N 1.236 109.948 108.800 -0.147 0.000 2.422 250 G HA2 -0.211 3.750 3.960 0.001 0.000 0.218 250 G HA3 -0.211 3.750 3.960 0.001 0.000 0.218 250 G C 1.831 176.658 174.900 -0.122 0.000 1.146 250 G CA 0.162 45.193 45.100 -0.114 0.000 0.769 250 G HN 0.322 nan 8.290 nan 0.000 0.547 251 R N -0.036 120.419 120.500 -0.075 0.000 2.115 251 R HA 0.018 4.359 4.340 0.001 0.000 0.230 251 R C 2.554 178.798 176.300 -0.093 0.000 1.111 251 R CA 0.928 56.991 56.100 -0.062 0.000 0.976 251 R CB -0.562 29.716 30.300 -0.037 0.000 0.870 251 R HN 0.320 nan 8.270 nan 0.000 0.445 252 V N 1.716 121.551 119.914 -0.132 0.000 2.358 252 V HA -0.222 3.899 4.120 0.001 0.000 0.246 252 V C 2.400 178.401 176.094 -0.155 0.000 1.047 252 V CA 1.422 63.642 62.300 -0.133 0.000 1.035 252 V CB -0.378 31.356 31.823 -0.147 0.000 0.658 252 V HN 0.205 nan 8.190 nan 0.000 0.452 253 I N -0.085 120.339 120.570 -0.242 0.000 2.179 253 I HA -0.277 3.894 4.170 0.001 0.000 0.242 253 I C 2.534 178.581 176.117 -0.117 0.000 1.088 253 I CA 1.814 62.982 61.300 -0.220 0.000 1.357 253 I CB -1.171 36.619 38.000 -0.351 0.000 1.051 253 I HN 0.437 nan 8.210 nan 0.000 0.409 254 Q N 0.536 120.278 119.800 -0.096 0.000 2.124 254 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 254 Q C 2.351 178.321 176.000 -0.050 0.000 0.977 254 Q CA 1.412 57.182 55.803 -0.056 0.000 0.850 254 Q CB 0.207 28.921 28.738 -0.041 0.000 0.901 254 Q HN 0.317 nan 8.270 nan 0.000 0.429 255 V N 0.618 120.498 119.914 -0.056 0.000 2.427 255 V HA -0.245 3.876 4.120 0.001 0.000 0.248 255 V C 2.273 178.342 176.094 -0.043 0.000 1.051 255 V CA 1.646 63.919 62.300 -0.046 0.000 1.048 255 V CB -0.916 30.880 31.823 -0.046 0.000 0.666 255 V HN 0.487 nan 8.190 nan 0.000 0.456 256 A N 0.135 122.924 122.820 -0.051 0.000 1.902 256 A HA -0.136 4.185 4.320 0.001 0.000 0.217 256 A C 2.432 179.999 177.584 -0.028 0.000 1.181 256 A CA 2.122 54.135 52.037 -0.040 0.000 0.623 256 A CB -0.781 18.190 19.000 -0.048 0.000 0.818 256 A HN 0.563 nan 8.150 nan 0.000 0.443 257 A N -0.637 122.165 122.820 -0.031 0.000 1.902 257 A HA 0.131 4.452 4.320 0.001 0.000 0.217 257 A C 2.360 179.931 177.584 -0.021 0.000 1.181 257 A CA 1.878 53.902 52.037 -0.022 0.000 0.623 257 A CB -1.250 17.734 19.000 -0.026 0.000 0.818 257 A HN 0.749 nan 8.150 nan 0.000 0.443 258 G N -1.256 107.529 108.800 -0.025 0.000 2.484 258 G HA2 0.017 3.978 3.960 0.001 0.000 0.218 258 G HA3 0.017 3.978 3.960 0.001 0.000 0.218 258 G C 1.615 176.503 174.900 -0.019 0.000 1.130 258 G CA 1.148 46.235 45.100 -0.022 0.000 0.784 258 G HN 0.498 nan 8.290 nan 0.000 0.543 259 S N 0.380 116.068 115.700 -0.020 0.000 2.446 259 S HA 0.021 4.492 4.470 0.001 0.000 0.225 259 S C 2.372 176.963 174.600 -0.015 0.000 1.016 259 S CA 0.861 59.050 58.200 -0.019 0.000 0.943 259 S CB 0.074 63.261 63.200 -0.022 0.000 0.786 259 S HN 0.599 nan 8.310 nan 0.000 0.508 260 S N 3.692 119.385 115.700 -0.012 0.000 2.907 260 S HA 0.067 4.538 4.470 0.001 0.000 0.166 260 S C 0.988 175.588 174.600 -0.001 0.000 0.956 260 S CA 0.286 58.483 58.200 -0.005 0.000 1.531 260 S CB -0.644 62.558 63.200 0.004 0.000 0.573 260 S HN 0.487 nan 8.310 nan 0.000 0.488 261 N N 1.336 120.040 118.700 0.007 0.000 2.251 261 N HA 0.242 4.983 4.740 0.001 0.000 0.217 261 N C 0.281 175.790 175.510 -0.002 0.000 1.124 261 N CA -0.078 52.976 53.050 0.007 0.000 0.843 261 N CB -0.613 37.886 38.487 0.020 0.000 1.024 261 N HN 0.666 nan 8.380 nan 0.000 0.501 262 L N -0.804 120.415 121.223 -0.008 0.000 4.040 262 L HA -0.291 4.050 4.340 0.001 0.000 0.410 262 L C -0.114 176.744 176.870 -0.019 0.000 1.187 262 L CA 0.593 55.424 54.840 -0.015 0.000 0.956 262 L CB -1.703 40.348 42.059 -0.014 0.000 2.022 262 L HN 0.469 nan 8.230 nan 0.000 0.897 263 K N 0.257 120.646 120.400 -0.018 0.000 2.527 263 K HA 0.293 4.614 4.320 0.001 0.000 0.278 263 K C 0.390 176.966 176.600 -0.039 0.000 0.981 263 K CA -0.408 55.863 56.287 -0.027 0.000 1.009 263 K CB 0.377 32.864 32.500 -0.021 0.000 0.895 263 K HN 0.012 nan 8.250 nan 0.000 0.493 264 R N 1.266 121.733 120.500 -0.055 0.000 2.623 264 R HA 0.173 4.514 4.340 0.001 0.000 0.271 264 R C -0.530 175.726 176.300 -0.073 0.000 1.043 264 R CA -0.203 55.854 56.100 -0.070 0.000 1.083 264 R CB 0.697 30.939 30.300 -0.096 0.000 0.974 264 R HN 0.485 nan 8.270 nan 0.000 0.436 265 V N 1.288 121.165 119.914 -0.063 0.000 2.789 265 V HA 0.633 4.754 4.120 0.001 0.000 0.311 265 V C -0.395 175.675 176.094 -0.040 0.000 1.073 265 V CA -0.874 61.400 62.300 -0.044 0.000 0.921 265 V CB 2.206 34.017 31.823 -0.021 0.000 1.009 265 V HN 0.980 nan 8.190 nan 0.000 0.426 266 T N 2.085 116.628 114.554 -0.019 0.000 2.912 266 T HA 0.864 5.215 4.350 0.001 0.000 0.299 266 T C -1.157 173.587 174.700 0.073 0.000 1.052 266 T CA -0.681 61.421 62.100 0.002 0.000 0.996 266 T CB 1.615 70.464 68.868 -0.033 0.000 1.070 266 T HN 0.422 nan 8.240 nan 0.000 0.465 267 L N 1.858 123.134 121.223 0.089 0.000 2.408 267 L HA 0.613 4.954 4.340 0.001 0.000 0.268 267 L C -0.354 176.587 176.870 0.118 0.000 0.986 267 L CA -0.908 54.025 54.840 0.153 0.000 0.820 267 L CB 2.342 44.511 42.059 0.182 0.000 1.303 267 L HN 0.625 nan 8.230 nan 0.000 0.411 268 E N 4.603 124.864 120.200 0.102 0.000 2.376 268 E HA 0.439 4.790 4.350 0.001 0.000 0.236 268 E C -0.609 176.022 176.600 0.052 0.000 0.962 268 E CA -0.186 56.271 56.400 0.095 0.000 0.768 268 E CB 1.509 31.291 29.700 0.136 0.000 1.236 268 E HN 0.482 nan 8.360 nan 0.000 0.431 269 L N -0.116 121.167 121.223 0.099 0.000 2.891 269 L HA 0.595 4.936 4.340 0.001 0.000 0.216 269 L C 1.331 178.249 176.870 0.080 0.000 1.209 269 L CA -0.845 54.060 54.840 0.109 0.000 0.957 269 L CB 0.147 42.315 42.059 0.183 0.000 1.876 269 L HN 0.325 nan 8.230 nan 0.000 0.532 270 G N -1.901 106.934 108.800 0.057 0.000 2.583 270 G HA2 0.637 4.598 3.960 0.001 0.000 0.280 270 G HA3 0.637 4.598 3.960 0.001 0.000 0.280 270 G C -0.708 174.005 174.900 -0.313 0.000 1.376 270 G CA -0.016 45.036 45.100 -0.081 0.000 1.043 270 G HN 0.817 nan 8.290 nan 0.000 0.538 271 G N -1.857 106.594 108.800 -0.581 0.000 2.606 271 G HA2 0.492 4.453 3.960 0.001 0.000 0.300 271 G HA3 0.492 4.453 3.960 0.001 0.000 0.300 271 G C -1.488 173.051 174.900 -0.603 0.000 1.360 271 G CA -0.539 44.107 45.100 -0.755 0.000 0.783 271 G HN 0.584 nan 8.290 nan 0.000 0.484 272 K N 0.559 120.829 120.400 -0.216 0.000 3.262 272 K HA 0.443 4.764 4.320 0.001 0.000 0.166 272 K C -0.130 176.529 176.600 0.098 0.000 1.091 272 K CA -0.333 55.950 56.287 -0.006 0.000 0.798 272 K CB 0.223 32.813 32.500 0.150 0.000 0.953 272 K HN 0.429 nan 8.250 nan 0.000 0.588 273 S N 3.540 119.308 115.700 0.113 0.000 2.537 273 S HA 0.150 4.621 4.470 0.001 0.000 0.286 273 S C -2.331 172.404 174.600 0.224 0.000 1.299 273 S CA -0.518 57.796 58.200 0.189 0.000 1.067 273 S CB 0.336 63.715 63.200 0.297 0.000 0.864 273 S HN 0.379 nan 8.310 nan 0.000 0.494 274 P HA 0.216 nan 4.420 nan 0.000 0.292 274 P C -1.176 176.316 177.300 0.319 0.000 1.287 274 P CA -0.668 62.617 63.100 0.308 0.000 0.800 274 P CB 0.500 32.353 31.700 0.254 0.000 0.945 275 N N 3.963 122.850 118.700 0.310 0.000 2.558 275 N HA 0.299 5.040 4.740 0.001 0.000 0.242 275 N C -0.490 175.182 175.510 0.270 0.000 0.979 275 N CA -0.632 52.600 53.050 0.304 0.000 0.931 275 N CB 0.309 38.855 38.487 0.099 0.000 1.122 275 N HN 0.330 nan 8.380 nan 0.000 0.508 276 I N 4.752 125.488 120.570 0.277 0.000 2.337 276 I HA 0.215 4.386 4.170 0.001 0.000 0.291 276 I C -0.115 176.177 176.117 0.292 0.000 1.046 276 I CA -0.527 60.903 61.300 0.217 0.000 1.324 276 I CB 0.782 38.806 38.000 0.039 0.000 1.409 276 I HN 0.380 nan 8.210 nan 0.000 0.494 277 I N 7.163 127.884 120.570 0.251 0.000 2.330 277 I HA 0.315 4.486 4.170 0.001 0.000 0.286 277 I C 0.195 176.473 176.117 0.268 0.000 1.025 277 I CA -0.511 60.898 61.300 0.182 0.000 1.197 277 I CB 0.921 38.810 38.000 -0.184 0.000 1.358 277 I HN 0.475 nan 8.210 nan 0.000 0.467 278 M N 3.669 123.446 119.600 0.295 0.000 2.247 278 M HA 0.176 4.657 4.480 0.001 0.000 0.326 278 M C 1.708 178.097 176.300 0.150 0.000 1.134 278 M CA -0.029 55.424 55.300 0.256 0.000 1.136 278 M CB 0.820 33.562 32.600 0.236 0.000 1.454 278 M HN 0.652 nan 8.290 nan 0.000 0.467 279 S N 0.806 116.557 115.700 0.084 0.000 2.400 279 S HA -0.186 4.285 4.470 0.001 0.000 0.232 279 S C 0.843 175.497 174.600 0.090 0.000 1.025 279 S CA 1.563 59.799 58.200 0.060 0.000 0.993 279 S CB -0.667 62.546 63.200 0.021 0.000 0.808 279 S HN 0.768 nan 8.310 nan 0.000 0.478 280 D N 2.178 122.639 120.400 0.102 0.000 2.324 280 D HA 0.392 5.033 4.640 0.001 0.000 0.235 280 D C 0.521 176.903 176.300 0.137 0.000 1.095 280 D CA 0.247 54.309 54.000 0.103 0.000 0.871 280 D CB -0.458 40.392 40.800 0.084 0.000 0.906 280 D HN 0.562 nan 8.370 nan 0.000 0.522 281 A N 0.330 123.258 122.820 0.180 0.000 2.332 281 A HA 0.287 4.608 4.320 0.001 0.000 0.258 281 A C -0.005 177.722 177.584 0.238 0.000 1.087 281 A CA -0.505 51.682 52.037 0.252 0.000 0.802 281 A CB 0.284 19.483 19.000 0.332 0.000 1.042 281 A HN 0.128 nan 8.150 nan 0.000 0.489 282 D N 1.647 122.221 120.400 0.290 0.000 2.359 282 D HA 0.182 4.823 4.640 0.001 0.000 0.250 282 D C 1.052 177.524 176.300 0.288 0.000 1.264 282 D CA -0.265 53.889 54.000 0.257 0.000 0.911 282 D CB 0.304 41.266 40.800 0.270 0.000 1.056 282 D HN 0.411 nan 8.370 nan 0.000 0.499 283 M N 3.636 123.362 119.600 0.211 0.000 2.151 283 M HA -0.249 4.232 4.480 0.001 0.000 0.256 283 M C 1.093 177.482 176.300 0.149 0.000 1.072 283 M CA 1.922 57.334 55.300 0.186 0.000 1.090 283 M CB -0.391 32.286 32.600 0.127 0.000 1.294 283 M HN 0.447 nan 8.290 nan 0.000 0.415 284 D N -1.249 119.234 120.400 0.139 0.000 2.106 284 D HA -0.280 4.361 4.640 0.001 0.000 0.191 284 D C 1.929 178.337 176.300 0.180 0.000 0.997 284 D CA 1.872 55.942 54.000 0.116 0.000 0.834 284 D CB -0.722 40.154 40.800 0.127 0.000 0.956 284 D HN 0.689 nan 8.370 nan 0.000 0.448 285 W N 1.742 123.085 121.300 0.072 0.000 2.355 285 W HA -0.165 4.496 4.660 0.002 0.000 0.309 285 W C 2.393 178.989 176.519 0.128 0.000 1.206 285 W CA 1.442 58.858 57.345 0.118 0.000 1.284 285 W CB -0.013 29.555 29.460 0.179 0.000 1.145 285 W HN -0.068 nan 8.180 nan 0.000 0.502 286 A N 0.194 123.108 122.820 0.156 0.000 1.940 286 A HA -0.186 4.135 4.320 0.001 0.000 0.219 286 A C 2.009 179.521 177.584 -0.120 0.000 1.176 286 A CA 2.153 54.110 52.037 -0.132 0.000 0.631 286 A CB -1.120 17.974 19.000 0.157 0.000 0.814 286 A HN 0.164 nan 8.150 nan 0.000 0.446 287 V N -0.233 119.611 119.914 -0.117 0.000 2.307 287 V HA -0.208 3.913 4.120 0.001 0.000 0.245 287 V C 2.606 178.545 176.094 -0.259 0.000 1.045 287 V CA 2.364 64.421 62.300 -0.405 0.000 1.024 287 V CB -0.647 30.892 31.823 -0.474 0.000 0.651 287 V HN 0.676 nan 8.190 nan 0.000 0.449 288 E N -0.164 119.909 120.200 -0.212 0.000 2.106 288 E HA -0.195 4.156 4.350 0.001 0.000 0.192 288 E C 2.276 178.764 176.600 -0.186 0.000 0.984 288 E CA 1.238 57.532 56.400 -0.177 0.000 0.806 288 E CB -0.187 29.417 29.700 -0.160 0.000 0.750 288 E HN 0.482 nan 8.360 nan 0.000 0.458 289 Q N -0.550 119.013 119.800 -0.396 0.000 2.172 289 Q HA 0.035 4.376 4.340 0.001 0.000 0.200 289 Q C 2.085 177.983 176.000 -0.169 0.000 0.964 289 Q CA 1.239 56.827 55.803 -0.358 0.000 0.855 289 Q CB -0.251 28.177 28.738 -0.517 0.000 0.918 289 Q HN 0.369 nan 8.270 nan 0.000 0.444 290 A N 0.089 122.785 122.820 -0.207 0.000 1.930 290 A HA -0.221 4.100 4.320 0.001 0.000 0.217 290 A C 1.905 179.492 177.584 0.005 0.000 1.175 290 A CA 1.842 53.816 52.037 -0.106 0.000 0.627 290 A CB -0.723 18.366 19.000 0.148 0.000 0.815 290 A HN 0.452 nan 8.150 nan 0.000 0.443 291 H N -1.601 117.471 119.070 0.003 0.000 2.293 291 H HA -0.147 4.410 4.556 0.001 0.000 0.300 291 H C 1.708 177.181 175.328 0.242 0.000 1.082 291 H CA 2.224 58.379 56.048 0.179 0.000 1.308 291 H CB -0.422 29.389 29.762 0.081 0.000 1.375 291 H HN 0.447 nan 8.280 nan 0.000 0.495 292 F N 0.802 120.789 119.950 0.062 0.000 2.134 292 F HA -0.134 4.394 4.527 0.002 0.000 0.299 292 F C 2.516 178.287 175.800 -0.048 0.000 1.097 292 F CA 1.420 59.429 58.000 0.015 0.000 1.264 292 F CB -0.709 38.263 39.000 -0.046 0.000 1.001 292 F HN 0.293 nan 8.300 nan 0.000 0.479 293 A N 0.013 122.796 122.820 -0.062 0.000 1.986 293 A HA -0.188 4.133 4.320 0.001 0.000 0.220 293 A C 2.116 179.468 177.584 -0.387 0.000 1.171 293 A CA 2.113 53.888 52.037 -0.436 0.000 0.640 293 A CB -0.899 17.491 19.000 -1.017 0.000 0.811 293 A HN 0.607 nan 8.150 nan 0.000 0.451 294 L N -3.432 117.584 121.223 -0.346 0.000 2.433 294 L HA 0.341 4.682 4.340 0.001 0.000 0.200 294 L C 1.778 178.356 176.870 -0.486 0.000 1.059 294 L CA 0.549 55.127 54.840 -0.437 0.000 0.835 294 L CB 0.100 41.803 42.059 -0.594 0.000 1.076 294 L HN 0.257 nan 8.230 nan 0.000 0.481 295 F N -0.443 119.321 119.950 -0.309 0.000 2.748 295 F HA 0.011 4.539 4.527 0.001 0.000 0.299 295 F C 0.911 176.560 175.800 -0.251 0.000 1.154 295 F CA -0.002 57.810 58.000 -0.314 0.000 1.446 295 F CB -0.299 38.400 39.000 -0.502 0.000 1.112 295 F HN -0.037 nan 8.300 nan 0.000 0.584 296 F N 1.915 121.661 119.950 -0.340 0.000 2.578 296 F HA 0.018 4.546 4.527 0.002 0.000 0.376 296 F C 1.158 176.816 175.800 -0.236 0.000 1.085 296 F CA -0.300 57.450 58.000 -0.417 0.000 1.260 296 F CB 0.156 38.687 39.000 -0.781 0.000 1.095 296 F HN 0.069 nan 8.300 nan 0.000 0.573 297 N N 3.746 121.866 118.700 -0.968 0.000 2.738 297 N HA -0.295 4.445 4.740 0.001 0.000 0.249 297 N C -0.134 175.084 175.510 -0.487 0.000 1.047 297 N CA 1.353 53.884 53.050 -0.866 0.000 0.707 297 N CB -0.985 36.783 38.487 -1.197 0.000 0.937 297 N HN 0.781 nan 8.380 nan 0.000 0.545 298 Q N -1.898 117.735 119.800 -0.278 0.000 2.461 298 Q HA -0.183 4.158 4.340 0.001 0.000 0.273 298 Q C 1.236 177.132 176.000 -0.173 0.000 1.163 298 Q CA 2.180 57.895 55.803 -0.147 0.000 0.929 298 Q CB -1.816 26.842 28.738 -0.132 0.000 1.334 298 Q HN 1.152 nan 8.270 nan 0.000 0.499 299 G N -1.114 107.538 108.800 -0.246 0.000 2.189 299 G HA2 -0.397 3.564 3.960 0.001 0.000 0.267 299 G HA3 -0.397 3.564 3.960 0.001 0.000 0.267 299 G C 0.131 174.725 174.900 -0.511 0.000 0.975 299 G CA 0.467 45.380 45.100 -0.312 0.000 0.644 299 G HN 0.480 nan 8.290 nan 0.000 0.537 300 Q N -0.042 119.384 119.800 -0.623 0.000 3.247 300 Q HA 0.471 4.812 4.340 0.001 0.000 0.326 300 Q C 0.050 175.373 176.000 -1.128 0.000 1.402 300 Q CA 0.113 55.240 55.803 -1.127 0.000 0.994 300 Q CB 0.577 29.017 28.738 -0.497 0.000 1.647 300 Q HN 0.455 nan 8.270 nan 0.000 0.523 301 C N -0.063 118.690 119.300 -0.913 0.000 2.535 301 C HA 0.316 4.777 4.460 0.001 0.000 0.319 301 C C 1.990 176.987 174.990 0.012 0.000 1.171 301 C CA -0.720 58.188 59.018 -0.184 0.000 1.394 301 C CB 0.344 28.178 27.740 0.158 0.000 1.990 301 C HN 0.960 nan 8.230 nan 0.000 0.466 302 C N 2.084 121.565 119.300 0.301 0.000 2.411 302 C HA -0.068 4.393 4.460 0.001 0.000 0.279 302 C C 2.127 177.318 174.990 0.336 0.000 1.288 302 C CA 1.624 60.873 59.018 0.385 0.000 1.764 302 C CB -2.408 25.538 27.740 0.343 0.000 1.974 302 C HN 1.060 nan 8.230 nan 0.000 0.498 303 C N 1.431 121.010 119.300 0.465 0.000 2.614 303 C HA 0.717 5.178 4.460 0.001 0.000 0.299 303 C C 1.373 176.683 174.990 0.533 0.000 1.293 303 C CA -0.852 58.490 59.018 0.539 0.000 1.713 303 C CB -2.541 25.706 27.740 0.845 0.000 1.890 303 C HN 0.772 nan 8.230 nan 0.000 0.602 304 A N 1.202 124.213 122.820 0.317 0.000 2.567 304 A HA 0.447 4.768 4.320 0.001 0.000 0.240 304 A C 1.139 178.808 177.584 0.142 0.000 1.053 304 A CA 0.829 52.970 52.037 0.172 0.000 0.755 304 A CB -0.158 18.826 19.000 -0.028 0.000 0.978 304 A HN 1.132 nan 8.150 nan 0.000 0.507 305 G N 2.115 110.894 108.800 -0.036 0.000 2.852 305 G HA2 0.322 4.283 3.960 0.001 0.000 0.280 305 G HA3 0.322 4.283 3.960 0.001 0.000 0.280 305 G C 0.919 175.752 174.900 -0.112 0.000 0.731 305 G CA 0.343 45.380 45.100 -0.105 0.000 2.037 305 G HN 1.141 nan 8.290 nan 0.000 0.560 306 S N 1.174 116.851 115.700 -0.038 0.000 2.603 306 S HA 0.134 4.604 4.470 0.001 0.000 0.220 306 S C 1.005 175.569 174.600 -0.061 0.000 0.967 306 S CA -0.135 58.019 58.200 -0.076 0.000 0.920 306 S CB 0.390 63.551 63.200 -0.064 0.000 0.773 306 S HN 0.463 nan 8.310 nan 0.000 0.529 307 R N 1.720 122.208 120.500 -0.021 0.000 2.607 307 R HA 0.258 4.599 4.340 0.001 0.000 0.278 307 R C -1.276 174.995 176.300 -0.049 0.000 1.637 307 R CA -0.109 55.944 56.100 -0.080 0.000 1.325 307 R CB 1.203 31.513 30.300 0.017 0.000 1.211 307 R HN 0.123 nan 8.270 nan 0.000 0.565 308 T N 3.576 118.073 114.554 -0.096 0.000 2.863 308 T HA 0.233 4.584 4.350 0.001 0.000 0.299 308 T C -0.055 174.617 174.700 -0.047 0.000 0.973 308 T CA 0.036 62.119 62.100 -0.028 0.000 0.994 308 T CB -0.222 68.637 68.868 -0.015 0.000 0.961 308 T HN 0.143 nan 8.240 nan 0.000 0.552 309 F N 2.571 122.548 119.950 0.045 0.000 2.427 309 F HA 0.448 4.976 4.527 0.001 0.000 0.352 309 F C 0.426 176.379 175.800 0.255 0.000 1.100 309 F CA -0.620 57.480 58.000 0.167 0.000 1.191 309 F CB 0.840 39.848 39.000 0.014 0.000 1.128 309 F HN 0.183 nan 8.300 nan 0.000 0.533 310 V N 3.531 123.720 119.914 0.459 0.000 2.656 310 V HA 0.273 4.394 4.120 0.001 0.000 0.307 310 V C -0.261 175.765 176.094 -0.114 0.000 1.051 310 V CA -1.137 61.244 62.300 0.136 0.000 0.893 310 V CB 1.722 33.438 31.823 -0.177 0.000 0.999 310 V HN 0.545 nan 8.190 nan 0.000 0.426 311 Q N 2.809 122.329 119.800 -0.467 0.000 2.337 311 Q HA 0.056 4.397 4.340 0.001 0.000 0.270 311 Q C 1.416 177.218 176.000 -0.331 0.000 1.002 311 Q CA 0.256 55.531 55.803 -0.880 0.000 0.888 311 Q CB 1.241 29.652 28.738 -0.545 0.000 1.222 311 Q HN 1.019 nan 8.270 nan 0.000 0.400 312 E N 2.807 122.816 120.200 -0.319 0.000 2.187 312 E HA -0.280 4.071 4.350 0.001 0.000 0.199 312 E C 0.264 176.850 176.600 -0.023 0.000 1.004 312 E CA 1.690 58.014 56.400 -0.126 0.000 0.813 312 E CB 0.070 29.681 29.700 -0.147 0.000 0.736 312 E HN 0.545 nan 8.360 nan 0.000 0.468 313 D N 1.016 121.386 120.400 -0.051 0.000 2.264 313 D HA -0.080 4.561 4.640 0.001 0.000 0.208 313 D C 1.957 178.280 176.300 0.038 0.000 0.966 313 D CA 1.355 55.354 54.000 -0.003 0.000 0.864 313 D CB 0.047 40.838 40.800 -0.014 0.000 0.933 313 D HN 0.618 nan 8.370 nan 0.000 0.499 314 I N -3.637 116.963 120.570 0.049 0.000 4.081 314 I HA 0.169 4.340 4.170 0.001 0.000 0.333 314 I C 1.774 177.970 176.117 0.132 0.000 1.413 314 I CA -0.595 60.757 61.300 0.087 0.000 1.110 314 I CB -0.081 37.971 38.000 0.087 0.000 1.082 314 I HN -0.253 nan 8.210 nan 0.000 0.402 315 Y N 2.955 123.263 120.300 0.012 0.000 2.030 315 Y HA -0.327 4.223 4.550 0.001 0.000 0.274 315 Y C 2.151 178.114 175.900 0.104 0.000 1.153 315 Y CA 2.468 60.592 58.100 0.040 0.000 1.115 315 Y CB -0.104 38.354 38.460 -0.004 0.000 0.969 315 Y HN 0.223 nan 8.280 nan 0.000 0.488 316 D N 0.009 120.502 120.400 0.156 0.000 2.133 316 D HA -0.231 4.410 4.640 0.001 0.000 0.195 316 D C 2.044 178.344 176.300 -0.001 0.000 0.997 316 D CA 1.795 55.832 54.000 0.063 0.000 0.840 316 D CB -0.440 40.433 40.800 0.122 0.000 0.947 316 D HN 0.617 nan 8.370 nan 0.000 0.452 317 E N -0.531 119.692 120.200 0.038 0.000 2.047 317 E HA -0.152 4.199 4.350 0.001 0.000 0.191 317 E C 2.052 178.658 176.600 0.010 0.000 0.987 317 E CA 0.363 56.778 56.400 0.025 0.000 0.799 317 E CB -0.153 29.578 29.700 0.052 0.000 0.752 317 E HN 0.195 nan 8.360 nan 0.000 0.449 318 F N 0.693 120.580 119.950 -0.105 0.000 2.102 318 F HA -0.222 4.306 4.527 0.001 0.000 0.298 318 F C 2.078 177.777 175.800 -0.168 0.000 1.105 318 F CA 1.283 59.209 58.000 -0.123 0.000 1.239 318 F CB -0.176 38.751 39.000 -0.122 0.000 0.991 318 F HN -0.119 nan 8.300 nan 0.000 0.474 319 V N 0.366 120.255 119.914 -0.042 0.000 2.295 319 V HA -0.327 3.794 4.120 0.001 0.000 0.246 319 V C 2.349 178.365 176.094 -0.130 0.000 1.049 319 V CA 2.320 64.538 62.300 -0.135 0.000 1.024 319 V CB -0.787 30.853 31.823 -0.305 0.000 0.648 319 V HN 0.422 nan 8.190 nan 0.000 0.447 320 E N 0.116 120.250 120.200 -0.110 0.000 2.038 320 E HA -0.264 4.087 4.350 0.001 0.000 0.195 320 E C 2.482 179.007 176.600 -0.125 0.000 1.000 320 E CA 1.577 57.923 56.400 -0.089 0.000 0.803 320 E CB -0.065 29.600 29.700 -0.059 0.000 0.750 320 E HN 0.510 nan 8.360 nan 0.000 0.448 321 R N -0.087 120.309 120.500 -0.173 0.000 2.096 321 R HA -0.062 4.279 4.340 0.001 0.000 0.235 321 R C 2.636 178.776 176.300 -0.267 0.000 1.127 321 R CA 1.452 57.422 56.100 -0.217 0.000 0.968 321 R CB -0.137 30.009 30.300 -0.256 0.000 0.861 321 R HN 0.073 nan 8.270 nan 0.000 0.440 322 S N 0.277 115.777 115.700 -0.335 0.000 2.368 322 S HA -0.099 4.372 4.470 0.001 0.000 0.225 322 S C 2.092 176.620 174.600 -0.120 0.000 1.030 322 S CA 1.228 59.269 58.200 -0.266 0.000 0.999 322 S CB -0.133 62.910 63.200 -0.260 0.000 0.844 322 S HN 0.070 nan 8.310 nan 0.000 0.459 323 V N 2.035 121.888 119.914 -0.102 0.000 2.407 323 V HA -0.183 3.938 4.120 0.001 0.000 0.248 323 V C 2.622 178.660 176.094 -0.094 0.000 1.055 323 V CA 1.646 63.905 62.300 -0.068 0.000 1.049 323 V CB -1.196 30.592 31.823 -0.059 0.000 0.662 323 V HN 0.541 nan 8.190 nan 0.000 0.455 324 A N 0.266 123.016 122.820 -0.118 0.000 1.930 324 A HA -0.220 4.101 4.320 0.001 0.000 0.217 324 A C 2.310 179.795 177.584 -0.164 0.000 1.175 324 A CA 1.957 53.921 52.037 -0.123 0.000 0.627 324 A CB -0.473 18.457 19.000 -0.117 0.000 0.815 324 A HN 0.444 nan 8.150 nan 0.000 0.443 325 R N 0.220 120.586 120.500 -0.222 0.000 2.092 325 R HA 0.056 4.397 4.340 0.001 0.000 0.231 325 R C 2.110 178.189 176.300 -0.368 0.000 1.119 325 R CA 1.790 57.673 56.100 -0.361 0.000 0.970 325 R CB -0.884 29.113 30.300 -0.503 0.000 0.864 325 R HN 0.374 nan 8.270 nan 0.000 0.440 326 A N 0.725 123.420 122.820 -0.208 0.000 1.902 326 A HA -0.135 4.186 4.320 0.001 0.000 0.217 326 A C 1.980 179.461 177.584 -0.173 0.000 1.181 326 A CA 1.643 53.571 52.037 -0.182 0.000 0.623 326 A CB -0.399 18.549 19.000 -0.086 0.000 0.818 326 A HN 0.365 nan 8.150 nan 0.000 0.443 327 K N 0.403 120.726 120.400 -0.128 0.000 2.147 327 K HA -0.102 4.219 4.320 0.001 0.000 0.205 327 K C 2.091 178.632 176.600 -0.099 0.000 1.049 327 K CA 1.530 57.758 56.287 -0.099 0.000 0.936 327 K CB -0.158 32.294 32.500 -0.080 0.000 0.722 327 K HN 0.662 nan 8.250 nan 0.000 0.446 328 S N 0.593 116.220 115.700 -0.122 0.000 2.562 328 S HA -0.021 4.450 4.470 0.001 0.000 0.221 328 S C 0.847 175.387 174.600 -0.099 0.000 0.975 328 S CA -0.219 57.917 58.200 -0.107 0.000 0.918 328 S CB -0.092 63.037 63.200 -0.118 0.000 0.772 328 S HN 0.146 nan 8.310 nan 0.000 0.531 329 R N 2.063 122.493 120.500 -0.116 0.000 2.399 329 R HA 0.210 4.551 4.340 0.001 0.000 0.324 329 R C -0.977 175.295 176.300 -0.048 0.000 1.030 329 R CA -0.133 55.920 56.100 -0.078 0.000 0.984 329 R CB 0.134 30.366 30.300 -0.115 0.000 0.961 329 R HN 0.153 nan 8.270 nan 0.000 0.433 330 V N 6.486 126.388 119.914 -0.020 0.000 2.446 330 V HA 0.067 4.188 4.120 0.001 0.000 0.276 330 V C 0.229 176.333 176.094 0.016 0.000 1.030 330 V CA -0.125 62.170 62.300 -0.008 0.000 1.033 330 V CB 1.066 32.889 31.823 -0.001 0.000 0.993 330 V HN 0.462 nan 8.190 nan 0.000 0.477 331 V N 4.850 124.774 119.914 0.017 0.000 2.547 331 V HA 1.016 5.136 4.120 0.001 0.000 0.299 331 V C 0.666 176.765 176.094 0.009 0.000 1.040 331 V CA 0.510 62.852 62.300 0.070 0.000 0.913 331 V CB 1.173 33.061 31.823 0.108 0.000 0.992 331 V HN 1.136 nan 8.190 nan 0.000 0.449 332 G N 3.007 111.842 108.800 0.057 0.000 2.336 332 G HA2 0.133 4.094 3.960 0.001 0.000 0.286 332 G HA3 0.133 4.094 3.960 0.001 0.000 0.286 332 G C -1.040 173.893 174.900 0.054 0.000 1.269 332 G CA -0.835 44.192 45.100 -0.122 0.000 0.873 332 G HN 0.671 nan 8.290 nan 0.000 0.494 333 N N 2.022 120.713 118.700 -0.014 0.000 2.414 333 N HA 0.162 4.902 4.740 0.001 0.000 0.268 333 N C -0.456 175.118 175.510 0.107 0.000 1.286 333 N CA -1.043 52.066 53.050 0.097 0.000 0.896 333 N CB 1.276 39.806 38.487 0.071 0.000 1.093 333 N HN 0.169 nan 8.380 nan 0.000 0.480 334 P HA -0.158 nan 4.420 nan 0.000 0.223 334 P C 0.783 178.016 177.300 -0.111 0.000 1.144 334 P CA 1.276 64.339 63.100 -0.062 0.000 0.783 334 P CB -0.058 31.526 31.700 -0.194 0.000 0.771 335 F N -0.293 119.697 119.950 0.066 0.000 2.780 335 F HA 0.082 4.609 4.527 0.001 0.000 0.299 335 F C 1.323 177.135 175.800 0.020 0.000 1.146 335 F CA -0.003 58.010 58.000 0.022 0.000 1.428 335 F CB -0.001 38.966 39.000 -0.054 0.000 1.115 335 F HN -0.135 nan 8.300 nan 0.000 0.583 336 D N 0.254 120.760 120.400 0.176 0.000 2.316 336 D HA 0.015 4.656 4.640 0.001 0.000 0.245 336 D C 1.207 177.570 176.300 0.105 0.000 1.171 336 D CA 0.200 54.267 54.000 0.111 0.000 0.856 336 D CB 1.436 42.277 40.800 0.067 0.000 1.090 336 D HN 0.145 nan 8.370 nan 0.000 0.476 337 S N 4.217 119.979 115.700 0.104 0.000 2.423 337 S HA -0.213 4.257 4.470 0.001 0.000 0.238 337 S C 1.513 176.157 174.600 0.074 0.000 1.028 337 S CA 0.810 59.070 58.200 0.100 0.000 1.000 337 S CB -0.011 63.239 63.200 0.084 0.000 0.797 337 S HN 0.484 nan 8.310 nan 0.000 0.487 338 K N 1.206 121.639 120.400 0.055 0.000 2.211 338 K HA 0.054 4.375 4.320 0.001 0.000 0.203 338 K C 0.410 177.036 176.600 0.043 0.000 1.050 338 K CA 0.643 56.954 56.287 0.040 0.000 0.945 338 K CB -0.739 31.774 32.500 0.022 0.000 0.732 338 K HN 0.398 nan 8.250 nan 0.000 0.451 339 T N 2.207 116.792 114.554 0.052 0.000 2.867 339 T HA 0.021 4.372 4.350 0.001 0.000 0.297 339 T C 1.049 175.789 174.700 0.066 0.000 0.989 339 T CA 0.344 62.478 62.100 0.056 0.000 1.159 339 T CB 0.819 69.727 68.868 0.067 0.000 0.928 339 T HN 0.187 nan 8.240 nan 0.000 0.538 340 E N 1.767 122.005 120.200 0.064 0.000 2.307 340 E HA 0.057 4.408 4.350 0.001 0.000 0.195 340 E C 0.793 177.435 176.600 0.071 0.000 0.975 340 E CA 0.176 56.624 56.400 0.079 0.000 0.878 340 E CB 0.584 30.331 29.700 0.079 0.000 0.845 340 E HN 0.560 nan 8.360 nan 0.000 0.488 341 Q N 0.238 120.076 119.800 0.064 0.000 2.285 341 Q HA 0.426 4.767 4.340 0.001 0.000 0.269 341 Q C -0.600 175.462 176.000 0.105 0.000 1.030 341 Q CA -0.607 55.230 55.803 0.057 0.000 0.788 341 Q CB 1.799 30.571 28.738 0.057 0.000 1.266 341 Q HN 0.134 nan 8.270 nan 0.000 0.438 342 G N 3.066 111.888 108.800 0.037 0.000 2.574 342 G HA2 0.610 4.571 3.960 0.001 0.000 0.248 342 G HA3 0.610 4.571 3.960 0.001 0.000 0.248 342 G C -2.549 172.214 174.900 -0.228 0.000 1.422 342 G CA -0.936 44.184 45.100 0.033 0.000 1.051 342 G HN 0.563 nan 8.290 nan 0.000 0.560 343 P HA 0.247 nan 4.420 nan 0.000 0.280 343 P C -0.862 176.209 177.300 -0.383 0.000 1.272 343 P CA -0.488 62.025 63.100 -0.978 0.000 0.819 343 P CB 1.275 32.070 31.700 -1.508 0.000 1.122 344 Q N 0.078 119.753 119.800 -0.207 0.000 2.492 344 Q HA 0.043 4.384 4.340 0.001 0.000 0.238 344 Q C 1.399 177.287 176.000 -0.187 0.000 1.045 344 Q CA -0.295 55.447 55.803 -0.102 0.000 0.934 344 Q CB 0.042 28.802 28.738 0.035 0.000 1.276 344 Q HN 0.213 nan 8.270 nan 0.000 0.521 345 V N 0.481 120.215 119.914 -0.300 0.000 2.332 345 V HA -0.233 3.887 4.120 0.001 0.000 0.248 345 V C 0.368 176.190 176.094 -0.453 0.000 1.055 345 V CA 2.768 64.800 62.300 -0.447 0.000 1.038 345 V CB -0.100 31.150 31.823 -0.955 0.000 0.651 345 V HN 0.998 nan 8.190 nan 0.000 0.450 346 D N -3.496 116.551 120.400 -0.589 0.000 2.768 346 D HA 0.117 4.758 4.640 0.001 0.000 0.327 346 D C 0.682 176.349 176.300 -1.054 0.000 1.302 346 D CA -0.055 53.471 54.000 -0.789 0.000 0.897 346 D CB 0.624 41.091 40.800 -0.554 0.000 1.420 346 D HN 0.008 nan 8.370 nan 0.000 0.494 347 E N -0.606 118.901 120.200 -1.156 0.000 2.106 347 E HA -0.152 4.199 4.350 0.001 0.000 0.192 347 E C 1.174 177.649 176.600 -0.209 0.000 0.984 347 E CA 1.704 57.701 56.400 -0.671 0.000 0.806 347 E CB -0.074 29.426 29.700 -0.332 0.000 0.750 347 E HN 0.512 nan 8.360 nan 0.000 0.458 348 T N 0.777 115.200 114.554 -0.220 0.000 2.652 348 T HA -0.221 4.130 4.350 0.001 0.000 0.267 348 T C 1.822 176.477 174.700 -0.075 0.000 1.039 348 T CA 1.639 63.670 62.100 -0.116 0.000 1.153 348 T CB -0.290 68.506 68.868 -0.120 0.000 0.863 348 T HN 0.110 nan 8.240 nan 0.000 0.428 349 Q N 0.080 119.803 119.800 -0.129 0.000 2.050 349 Q HA -0.008 4.333 4.340 0.001 0.000 0.202 349 Q C 1.881 177.918 176.000 0.061 0.000 0.980 349 Q CA 1.286 57.070 55.803 -0.032 0.000 0.840 349 Q CB -0.778 27.874 28.738 -0.144 0.000 0.898 349 Q HN 0.532 nan 8.270 nan 0.000 0.424 350 F N 1.067 120.932 119.950 -0.143 0.000 2.065 350 F HA -0.266 4.262 4.527 0.002 0.000 0.298 350 F C 1.724 177.527 175.800 0.006 0.000 1.112 350 F CA 1.921 59.894 58.000 -0.045 0.000 1.212 350 F CB -0.176 38.798 39.000 -0.043 0.000 0.975 350 F HN 0.029 nan 8.300 nan 0.000 0.476 351 K N -0.022 120.365 120.400 -0.023 0.000 2.097 351 K HA -0.200 4.121 4.320 0.001 0.000 0.205 351 K C 2.231 178.769 176.600 -0.104 0.000 1.050 351 K CA 1.480 57.694 56.287 -0.120 0.000 0.938 351 K CB -0.289 32.198 32.500 -0.021 0.000 0.718 351 K HN 0.245 nan 8.250 nan 0.000 0.442 352 K N 1.340 121.716 120.400 -0.040 0.000 2.057 352 K HA -0.124 4.197 4.320 0.001 0.000 0.207 352 K C 1.996 178.623 176.600 0.045 0.000 1.049 352 K CA 1.202 57.475 56.287 -0.024 0.000 0.931 352 K CB -0.041 32.490 32.500 0.053 0.000 0.714 352 K HN 0.051 nan 8.250 nan 0.000 0.440 353 I N 1.145 121.773 120.570 0.098 0.000 2.252 353 I HA -0.285 3.886 4.170 0.001 0.000 0.245 353 I C 2.127 178.290 176.117 0.078 0.000 1.102 353 I CA 1.004 62.401 61.300 0.161 0.000 1.385 353 I CB -0.165 37.905 38.000 0.117 0.000 1.064 353 I HN 0.161 nan 8.210 nan 0.000 0.414 354 L N 0.373 121.548 121.223 -0.081 0.000 2.131 354 L HA -0.120 4.220 4.340 0.001 0.000 0.210 354 L C 2.616 179.460 176.870 -0.044 0.000 1.092 354 L CA 1.353 56.129 54.840 -0.106 0.000 0.759 354 L CB -1.015 40.889 42.059 -0.259 0.000 0.903 354 L HN 0.336 nan 8.230 nan 0.000 0.435 355 G N -1.222 107.533 108.800 -0.075 0.000 2.408 355 G HA2 -0.254 3.706 3.960 0.001 0.000 0.217 355 G HA3 -0.254 3.706 3.960 0.001 0.000 0.217 355 G C 1.382 176.228 174.900 -0.090 0.000 1.150 355 G CA 0.374 45.404 45.100 -0.117 0.000 0.776 355 G HN 0.297 nan 8.290 nan 0.000 0.542 356 Y N 0.450 120.752 120.300 0.004 0.000 2.263 356 Y HA 0.061 4.612 4.550 0.002 0.000 0.292 356 Y C 2.768 178.686 175.900 0.030 0.000 1.130 356 Y CA 0.410 58.515 58.100 0.009 0.000 1.179 356 Y CB 0.032 38.508 38.460 0.027 0.000 0.998 356 Y HN 0.099 nan 8.280 nan 0.000 0.532 357 I N 0.077 120.795 120.570 0.247 0.000 2.179 357 I HA -0.364 3.807 4.170 0.001 0.000 0.242 357 I C 2.403 178.664 176.117 0.241 0.000 1.088 357 I CA 1.537 63.022 61.300 0.309 0.000 1.357 357 I CB -0.507 37.627 38.000 0.224 0.000 1.051 357 I HN 0.384 nan 8.210 nan 0.000 0.409 358 N N 0.510 119.283 118.700 0.122 0.000 2.188 358 N HA -0.154 4.587 4.740 0.001 0.000 0.184 358 N C 1.721 177.256 175.510 0.042 0.000 1.018 358 N CA 1.805 54.900 53.050 0.076 0.000 0.858 358 N CB 0.118 38.620 38.487 0.025 0.000 0.989 358 N HN 0.287 nan 8.380 nan 0.000 0.426 359 T N -0.252 114.315 114.554 0.020 0.000 2.746 359 T HA -0.062 4.289 4.350 0.001 0.000 0.267 359 T C 1.778 176.435 174.700 -0.072 0.000 1.039 359 T CA 1.276 63.370 62.100 -0.011 0.000 1.142 359 T CB -0.682 68.198 68.868 0.020 0.000 0.866 359 T HN 0.416 nan 8.240 nan 0.000 0.444 360 G N 1.884 110.584 108.800 -0.167 0.000 2.446 360 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 360 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 360 G C 1.609 176.312 174.900 -0.329 0.000 1.168 360 G CA 0.743 45.509 45.100 -0.557 0.000 0.771 360 G HN 0.431 nan 8.290 nan 0.000 0.551 361 K N -0.184 120.212 120.400 -0.007 0.000 2.026 361 K HA -0.079 4.242 4.320 0.001 0.000 0.208 361 K C 2.692 179.318 176.600 0.044 0.000 1.048 361 K CA 1.131 57.497 56.287 0.130 0.000 0.929 361 K CB -0.170 32.438 32.500 0.179 0.000 0.713 361 K HN 0.180 nan 8.250 nan 0.000 0.439 362 Q N 0.949 120.758 119.800 0.014 0.000 2.170 362 Q HA -0.156 4.185 4.340 0.001 0.000 0.203 362 Q C 1.576 177.570 176.000 -0.010 0.000 0.976 362 Q CA 1.413 57.218 55.803 0.004 0.000 0.858 362 Q CB -0.028 28.708 28.738 -0.003 0.000 0.907 362 Q HN 0.470 nan 8.270 nan 0.000 0.433 363 E N -0.999 119.178 120.200 -0.037 0.000 2.435 363 E HA 0.070 4.421 4.350 0.001 0.000 0.195 363 E C 0.698 177.281 176.600 -0.028 0.000 1.029 363 E CA 0.428 56.804 56.400 -0.040 0.000 0.865 363 E CB 0.298 29.958 29.700 -0.066 0.000 0.833 363 E HN 0.495 nan 8.360 nan 0.000 0.510 364 G N 1.078 109.870 108.800 -0.014 0.000 2.148 364 G HA2 -0.241 3.720 3.960 0.001 0.000 0.203 364 G HA3 -0.241 3.720 3.960 0.001 0.000 0.203 364 G C 0.259 175.177 174.900 0.031 0.000 0.993 364 G CA -0.100 45.010 45.100 0.016 0.000 0.661 364 G HN 0.410 nan 8.290 nan 0.000 0.518 365 A N 0.323 123.139 122.820 -0.005 0.000 2.450 365 A HA 0.599 4.920 4.320 0.001 0.000 0.255 365 A C 0.691 178.442 177.584 0.278 0.000 1.096 365 A CA 0.555 52.621 52.037 0.049 0.000 0.778 365 A CB 0.365 19.222 19.000 -0.239 0.000 1.031 365 A HN 0.609 nan 8.150 nan 0.000 0.494 366 K N 3.056 123.617 120.400 0.270 0.000 2.294 366 K HA 0.180 4.501 4.320 0.001 0.000 0.288 366 K C -0.484 176.265 176.600 0.248 0.000 1.072 366 K CA -0.377 56.050 56.287 0.234 0.000 0.960 366 K CB -0.115 32.478 32.500 0.156 0.000 1.043 366 K HN 0.598 nan 8.250 nan 0.000 0.455 367 L N 6.339 127.669 121.223 0.178 0.000 2.530 367 L HA 0.036 4.377 4.340 0.001 0.000 0.273 367 L C 0.333 177.142 176.870 -0.102 0.000 1.141 367 L CA 0.587 55.338 54.840 -0.149 0.000 0.905 367 L CB 0.383 42.364 42.059 -0.130 0.000 1.202 367 L HN 0.784 nan 8.230 nan 0.000 0.473 368 L N 4.770 125.910 121.223 -0.138 0.000 2.354 368 L HA 0.184 4.525 4.340 0.001 0.000 0.212 368 L C 0.513 177.335 176.870 -0.080 0.000 1.091 368 L CA 0.264 55.063 54.840 -0.068 0.000 0.828 368 L CB -0.134 41.906 42.059 -0.033 0.000 0.973 368 L HN 0.834 nan 8.230 nan 0.000 0.461 369 C N -3.481 115.745 119.300 -0.124 0.000 3.275 369 C HA 0.747 5.208 4.460 0.001 0.000 0.340 369 C C 0.757 175.683 174.990 -0.107 0.000 1.366 369 C CA -0.697 58.267 59.018 -0.091 0.000 1.227 369 C CB 0.754 28.457 27.740 -0.062 0.000 1.512 369 C HN 0.594 nan 8.230 nan 0.000 0.461 370 G N 0.586 109.347 108.800 -0.065 0.000 2.582 370 G HA2 0.328 4.288 3.960 0.001 0.000 0.288 370 G HA3 0.328 4.288 3.960 0.001 0.000 0.288 370 G C 1.253 176.117 174.900 -0.061 0.000 1.247 370 G CA 2.268 47.342 45.100 -0.043 0.000 0.972 370 G HN 3.351 nan 8.290 nan 0.000 0.557 371 G N -2.170 106.605 108.800 -0.043 0.000 2.163 371 G HA2 0.470 4.431 3.960 0.001 0.000 0.213 371 G HA3 0.470 4.431 3.960 0.001 0.000 0.213 371 G C 1.324 176.232 174.900 0.013 0.000 0.991 371 G CA 0.879 45.959 45.100 -0.033 0.000 0.653 371 G HN 2.592 nan 8.290 nan 0.000 0.518 372 G N -1.059 107.756 108.800 0.025 0.000 2.827 372 G HA2 0.668 4.629 3.960 0.001 0.000 0.296 372 G HA3 0.668 4.629 3.960 0.001 0.000 0.296 372 G C -0.413 174.531 174.900 0.074 0.000 1.362 372 G CA -0.782 44.340 45.100 0.035 0.000 0.809 372 G HN 0.622 nan 8.290 nan 0.000 0.522 373 I N 1.293 121.925 120.570 0.102 0.000 2.588 373 I HA 0.272 4.443 4.170 0.001 0.000 0.283 373 I C 1.504 177.722 176.117 0.168 0.000 1.119 373 I CA -0.050 61.377 61.300 0.210 0.000 1.419 373 I CB 1.716 39.875 38.000 0.265 0.000 1.394 373 I HN 0.576 nan 8.210 nan 0.000 0.562 374 A N 5.129 128.075 122.820 0.209 0.000 2.095 374 A HA 0.606 4.926 4.320 0.001 0.000 0.212 374 A C 0.850 178.465 177.584 0.052 0.000 1.162 374 A CA 0.771 52.885 52.037 0.127 0.000 0.753 374 A CB 0.113 19.209 19.000 0.160 0.000 0.840 374 A HN 0.798 nan 8.150 nan 0.000 0.468 375 A N -0.530 122.337 122.820 0.079 0.000 2.594 375 A HA 0.511 4.832 4.320 0.001 0.000 0.295 375 A C -0.030 177.564 177.584 0.016 0.000 1.071 375 A CA 0.233 52.249 52.037 -0.036 0.000 0.685 375 A CB 0.469 19.318 19.000 -0.253 0.000 1.285 375 A HN 0.209 nan 8.150 nan 0.000 0.405 376 D N 0.139 120.523 120.400 -0.026 0.000 2.347 376 D HA 0.016 4.657 4.640 0.001 0.000 0.213 376 D C 0.445 176.716 176.300 -0.049 0.000 0.985 376 D CA 0.890 54.883 54.000 -0.012 0.000 0.879 376 D CB 0.285 41.076 40.800 -0.015 0.000 0.919 376 D HN 0.278 nan 8.370 nan 0.000 0.526 377 R N -0.025 120.427 120.500 -0.080 0.000 2.711 377 R HA 0.599 4.940 4.340 0.001 0.000 0.284 377 R C 0.589 176.833 176.300 -0.094 0.000 0.968 377 R CA 0.062 56.093 56.100 -0.115 0.000 0.924 377 R CB 1.328 31.567 30.300 -0.101 0.000 1.162 377 R HN 0.242 nan 8.270 nan 0.000 0.465 378 G N 1.165 109.779 108.800 -0.311 0.000 2.741 378 G HA2 -0.297 3.663 3.960 0.001 0.000 0.222 378 G HA3 -0.297 3.663 3.960 0.001 0.000 0.222 378 G C -0.937 173.412 174.900 -0.919 0.000 1.364 378 G CA -0.453 44.331 45.100 -0.527 0.000 0.866 378 G HN 0.600 nan 8.290 nan 0.000 0.555 379 Y N -0.258 119.728 120.300 -0.524 0.000 2.696 379 Y HA 0.551 5.101 4.550 0.000 0.000 0.378 379 Y C 0.464 176.060 175.900 -0.508 0.000 1.012 379 Y CA -0.719 56.842 58.100 -0.898 0.000 1.396 379 Y CB 0.122 38.148 38.460 -0.724 0.000 1.415 379 Y HN 0.339 nan 8.280 nan 0.000 0.569 380 F N 1.880 121.773 119.950 -0.094 0.000 2.420 380 F HA 0.457 4.984 4.527 0.001 0.000 0.352 380 F C 0.233 176.198 175.800 0.275 0.000 1.108 380 F CA -0.868 57.185 58.000 0.089 0.000 1.162 380 F CB 0.602 39.607 39.000 0.008 0.000 1.118 380 F HN 0.051 nan 8.300 nan 0.000 0.510 381 I N 3.075 123.870 120.570 0.375 0.000 2.465 381 I HA 0.257 4.427 4.170 0.001 0.000 0.291 381 I C -0.487 175.750 176.117 0.200 0.000 1.014 381 I CA -1.039 60.436 61.300 0.291 0.000 1.093 381 I CB 1.836 39.975 38.000 0.232 0.000 1.267 381 I HN 0.516 nan 8.210 nan 0.000 0.431 382 Q N 6.038 125.927 119.800 0.148 0.000 2.337 382 Q HA 0.174 4.515 4.340 0.001 0.000 0.270 382 Q C -2.313 173.745 176.000 0.096 0.000 1.002 382 Q CA -1.582 54.278 55.803 0.095 0.000 0.888 382 Q CB -0.014 28.756 28.738 0.055 0.000 1.222 382 Q HN 0.272 nan 8.270 nan 0.000 0.400 383 P HA -0.042 nan 4.420 nan 0.000 0.261 383 P C -1.033 176.348 177.300 0.134 0.000 1.203 383 P CA 0.537 63.696 63.100 0.098 0.000 0.767 383 P CB 0.507 32.047 31.700 -0.267 0.000 0.785 384 T N 2.906 117.604 114.554 0.240 0.000 2.902 384 T HA 0.511 4.862 4.350 0.001 0.000 0.283 384 T C -0.231 174.520 174.700 0.085 0.000 1.009 384 T CA -0.418 61.722 62.100 0.065 0.000 1.051 384 T CB 0.990 69.851 68.868 -0.011 0.000 0.999 384 T HN -0.042 nan 8.240 nan 0.000 0.474 385 V N 3.089 122.945 119.914 -0.097 0.000 2.623 385 V HA 0.506 4.627 4.120 0.001 0.000 0.304 385 V C -1.190 174.766 176.094 -0.230 0.000 1.054 385 V CA -0.924 61.348 62.300 -0.047 0.000 0.882 385 V CB 1.514 33.361 31.823 0.039 0.000 1.002 385 V HN 0.837 nan 8.190 nan 0.000 0.424 386 F N 2.229 122.208 119.950 0.048 0.000 2.444 386 F HA 0.777 5.305 4.527 0.001 0.000 0.342 386 F C 0.893 176.724 175.800 0.052 0.000 1.121 386 F CA -0.308 57.717 58.000 0.042 0.000 0.997 386 F CB 2.167 41.182 39.000 0.025 0.000 1.130 386 F HN 0.610 nan 8.300 nan 0.000 0.454 387 G N 0.945 109.899 108.800 0.256 0.000 2.471 387 G HA2 0.360 4.321 3.960 0.001 0.000 0.332 387 G HA3 0.360 4.321 3.960 0.001 0.000 0.332 387 G C -0.455 174.585 174.900 0.232 0.000 1.176 387 G CA -0.558 44.679 45.100 0.228 0.000 0.949 387 G HN 0.752 nan 8.290 nan 0.000 0.488 388 D N -1.069 119.492 120.400 0.268 0.000 2.837 388 D HA -0.171 4.470 4.640 0.001 0.000 0.230 388 D C 0.758 177.103 176.300 0.075 0.000 1.152 388 D CA 0.681 54.767 54.000 0.143 0.000 0.736 388 D CB -1.129 39.734 40.800 0.107 0.000 1.084 388 D HN 0.224 nan 8.370 nan 0.000 0.429 389 V N 0.815 120.770 119.914 0.069 0.000 2.763 389 V HA -0.038 4.083 4.120 0.001 0.000 0.306 389 V C 0.956 177.034 176.094 -0.028 0.000 1.059 389 V CA 0.513 62.814 62.300 0.002 0.000 1.138 389 V CB 1.441 33.248 31.823 -0.027 0.000 0.940 389 V HN 0.059 nan 8.190 nan 0.000 0.489 390 Q N 1.960 121.742 119.800 -0.030 0.000 2.301 390 Q HA 0.300 4.641 4.340 0.001 0.000 0.267 390 Q C 0.486 176.479 176.000 -0.013 0.000 1.035 390 Q CA -0.750 55.045 55.803 -0.015 0.000 0.856 390 Q CB 1.638 30.375 28.738 -0.003 0.000 1.337 390 Q HN 0.691 nan 8.270 nan 0.000 0.450 391 D N 1.491 121.902 120.400 0.019 0.000 2.133 391 D HA -0.160 4.481 4.640 0.001 0.000 0.192 391 D C 1.569 177.885 176.300 0.027 0.000 1.001 391 D CA 1.933 55.959 54.000 0.043 0.000 0.844 391 D CB -0.159 40.692 40.800 0.084 0.000 0.944 391 D HN 0.845 nan 8.370 nan 0.000 0.447 392 G N -0.234 108.578 108.800 0.019 0.000 2.598 392 G HA2 -0.091 3.870 3.960 0.001 0.000 0.215 392 G HA3 -0.091 3.870 3.960 0.001 0.000 0.215 392 G C 0.748 175.650 174.900 0.003 0.000 1.131 392 G CA -0.059 45.049 45.100 0.013 0.000 0.785 392 G HN 0.183 nan 8.290 nan 0.000 0.539 393 M N 0.516 120.109 119.600 -0.011 0.000 2.252 393 M HA 0.094 4.574 4.480 0.001 0.000 0.333 393 M C 1.828 178.119 176.300 -0.016 0.000 1.111 393 M CA 0.007 55.290 55.300 -0.029 0.000 1.140 393 M CB 0.786 33.348 32.600 -0.064 0.000 1.538 393 M HN -0.070 nan 8.290 nan 0.000 0.448 394 T N 2.484 117.035 114.554 -0.005 0.000 2.746 394 T HA -0.096 4.255 4.350 0.001 0.000 0.267 394 T C 1.553 176.262 174.700 0.015 0.000 1.039 394 T CA 1.671 63.794 62.100 0.039 0.000 1.142 394 T CB -0.388 68.529 68.868 0.083 0.000 0.866 394 T HN 0.758 nan 8.240 nan 0.000 0.444 395 I N -0.158 120.385 120.570 -0.044 0.000 2.850 395 I HA 0.095 4.266 4.170 0.001 0.000 0.266 395 I C 2.186 178.238 176.117 -0.107 0.000 1.257 395 I CA 1.022 62.251 61.300 -0.118 0.000 1.465 395 I CB -0.377 37.495 38.000 -0.214 0.000 1.091 395 I HN 0.079 nan 8.210 nan 0.000 0.467 396 A N 0.777 123.556 122.820 -0.068 0.000 2.267 396 A HA 0.213 4.534 4.320 0.001 0.000 0.213 396 A C 2.120 179.708 177.584 0.006 0.000 1.192 396 A CA 0.115 52.124 52.037 -0.047 0.000 0.851 396 A CB -0.048 18.922 19.000 -0.050 0.000 0.881 396 A HN 0.431 nan 8.150 nan 0.000 0.494 397 K N -0.369 120.045 120.400 0.022 0.000 2.424 397 K HA 0.168 4.489 4.320 0.001 0.000 0.198 397 K C -0.179 176.496 176.600 0.124 0.000 1.190 397 K CA 0.197 56.528 56.287 0.074 0.000 0.935 397 K CB 0.691 33.226 32.500 0.058 0.000 1.087 397 K HN 0.409 nan 8.250 nan 0.000 0.524 398 E N 1.854 122.093 120.200 0.064 0.000 2.204 398 E HA 0.090 4.441 4.350 0.001 0.000 0.276 398 E C -0.995 175.548 176.600 -0.095 0.000 0.974 398 E CA -0.358 56.085 56.400 0.072 0.000 0.815 398 E CB 1.742 31.519 29.700 0.127 0.000 1.119 398 E HN 0.063 nan 8.360 nan 0.000 0.393 399 E N 3.229 123.418 120.200 -0.018 0.000 2.220 399 E HA -0.006 4.345 4.350 0.001 0.000 0.272 399 E C 0.344 176.829 176.600 -0.191 0.000 1.099 399 E CA 0.007 56.349 56.400 -0.096 0.000 0.907 399 E CB 0.328 29.977 29.700 -0.085 0.000 1.022 399 E HN 0.534 nan 8.360 nan 0.000 0.428 400 I N 4.392 124.797 120.570 -0.276 0.000 2.584 400 I HA -0.087 4.084 4.170 0.001 0.000 0.255 400 I C 0.528 176.719 176.117 0.123 0.000 1.145 400 I CA 0.062 61.168 61.300 -0.324 0.000 1.462 400 I CB 0.031 37.837 38.000 -0.323 0.000 1.102 400 I HN 0.688 nan 8.210 nan 0.000 0.433 401 F N 1.643 121.544 119.950 -0.082 0.000 3.091 401 F HA -0.204 4.323 4.527 0.001 0.000 0.288 401 F C 0.546 176.361 175.800 0.025 0.000 0.907 401 F CA 0.668 58.662 58.000 -0.010 0.000 1.028 401 F CB -1.370 37.670 39.000 0.067 0.000 1.022 401 F HN 0.159 nan 8.300 nan 0.000 0.665 402 G N -0.730 108.083 108.800 0.021 0.000 2.866 402 G HA2 0.649 4.609 3.960 0.001 0.000 0.289 402 G HA3 0.649 4.609 3.960 0.001 0.000 0.289 402 G C -2.903 171.961 174.900 -0.059 0.000 1.396 402 G CA -0.728 44.382 45.100 0.016 0.000 0.848 402 G HN -0.144 nan 8.290 nan 0.000 0.515 403 P HA 0.244 nan 4.420 nan 0.000 0.225 403 P C -0.597 176.726 177.300 0.038 0.000 1.768 403 P CA -0.043 63.096 63.100 0.063 0.000 0.943 403 P CB 0.170 32.048 31.700 0.296 0.000 1.936 404 V N 2.781 122.622 119.914 -0.122 0.000 2.349 404 V HA 0.328 4.449 4.120 0.001 0.000 0.284 404 V C 0.364 176.375 176.094 -0.138 0.000 1.014 404 V CA -0.663 61.622 62.300 -0.025 0.000 0.826 404 V CB 1.819 33.702 31.823 0.101 0.000 1.009 404 V HN 0.289 nan 8.190 nan 0.000 0.431 405 M N 4.113 123.630 119.600 -0.137 0.000 2.233 405 M HA 0.531 5.012 4.480 0.001 0.000 0.355 405 M C -0.674 175.654 176.300 0.045 0.000 1.191 405 M CA -0.239 54.978 55.300 -0.139 0.000 1.101 405 M CB 1.237 33.764 32.600 -0.122 0.000 1.592 405 M HN 0.621 nan 8.290 nan 0.000 0.461 406 Q N 5.233 125.035 119.800 0.004 0.000 2.348 406 Q HA 0.540 4.881 4.340 0.001 0.000 0.265 406 Q C -1.293 174.706 176.000 -0.003 0.000 0.998 406 Q CA 0.067 55.890 55.803 0.034 0.000 0.831 406 Q CB 1.599 30.316 28.738 -0.035 0.000 1.251 406 Q HN 0.693 nan 8.270 nan 0.000 0.456 407 I N 4.278 124.882 120.570 0.058 0.000 2.328 407 I HA 0.329 4.499 4.170 0.001 0.000 0.287 407 I C -0.915 175.261 176.117 0.099 0.000 1.012 407 I CA -0.823 60.516 61.300 0.066 0.000 1.195 407 I CB 0.663 38.731 38.000 0.113 0.000 1.350 407 I HN 0.322 nan 8.210 nan 0.000 0.464 408 L N 6.707 127.912 121.223 -0.031 0.000 2.334 408 L HA 0.517 4.858 4.340 0.001 0.000 0.272 408 L C 0.014 176.988 176.870 0.172 0.000 1.020 408 L CA -0.423 54.386 54.840 -0.051 0.000 0.812 408 L CB 1.164 42.939 42.059 -0.473 0.000 1.264 408 L HN 0.459 nan 8.230 nan 0.000 0.439 409 K N 2.045 122.505 120.400 0.101 0.000 2.164 409 K HA 0.694 5.015 4.320 0.001 0.000 0.258 409 K C -1.433 175.293 176.600 0.210 0.000 0.951 409 K CA -0.462 55.841 56.287 0.027 0.000 0.844 409 K CB 1.278 33.469 32.500 -0.514 0.000 1.099 409 K HN 0.532 nan 8.250 nan 0.000 0.435 410 F N 1.180 121.184 119.950 0.091 0.000 2.643 410 F HA 0.459 4.986 4.527 0.001 0.000 0.314 410 F C 0.074 175.908 175.800 0.057 0.000 1.096 410 F CA -0.932 57.130 58.000 0.104 0.000 0.953 410 F CB 1.578 40.691 39.000 0.187 0.000 1.345 410 F HN 0.553 nan 8.300 nan 0.000 0.468 411 K N 0.170 120.640 120.400 0.117 0.000 2.290 411 K HA 0.237 4.558 4.320 0.001 0.000 0.225 411 K C 0.345 177.018 176.600 0.122 0.000 1.060 411 K CA 0.868 57.151 56.287 -0.008 0.000 0.903 411 K CB 0.085 32.601 32.500 0.027 0.000 1.158 411 K HN 0.904 nan 8.250 nan 0.000 0.460 412 T N -1.413 113.279 114.554 0.230 0.000 2.902 412 T HA 0.210 4.561 4.350 0.001 0.000 0.280 412 T C 1.287 176.162 174.700 0.293 0.000 0.992 412 T CA -0.705 61.520 62.100 0.207 0.000 1.015 412 T CB 1.224 70.155 68.868 0.105 0.000 1.044 412 T HN 0.289 nan 8.240 nan 0.000 0.520 413 I N 0.202 120.884 120.570 0.186 0.000 2.500 413 I HA -0.041 4.130 4.170 0.001 0.000 0.252 413 I C 2.066 178.247 176.117 0.107 0.000 1.142 413 I CA 1.176 62.559 61.300 0.139 0.000 1.451 413 I CB -0.052 38.003 38.000 0.091 0.000 1.093 413 I HN 0.725 nan 8.210 nan 0.000 0.430 414 E N 0.711 120.970 120.200 0.098 0.000 2.106 414 E HA -0.263 4.088 4.350 0.001 0.000 0.192 414 E C 1.931 178.552 176.600 0.034 0.000 0.984 414 E CA 1.174 57.637 56.400 0.104 0.000 0.806 414 E CB -0.231 29.516 29.700 0.078 0.000 0.750 414 E HN 0.498 nan 8.360 nan 0.000 0.458 415 E N 0.513 120.735 120.200 0.037 0.000 2.031 415 E HA -0.177 4.174 4.350 0.001 0.000 0.193 415 E C 2.063 178.604 176.600 -0.100 0.000 0.994 415 E CA 1.245 57.656 56.400 0.017 0.000 0.800 415 E CB -0.056 29.705 29.700 0.101 0.000 0.752 415 E HN 0.181 nan 8.360 nan 0.000 0.447 416 V N 0.458 120.226 119.914 -0.244 0.000 2.626 416 V HA -0.158 3.963 4.120 0.001 0.000 0.252 416 V C 2.240 178.011 176.094 -0.537 0.000 1.067 416 V CA 1.124 63.039 62.300 -0.642 0.000 1.081 416 V CB 0.132 31.155 31.823 -1.334 0.000 0.686 416 V HN 0.197 nan 8.190 nan 0.000 0.468 417 V N 0.569 120.307 119.914 -0.292 0.000 2.307 417 V HA -0.103 4.017 4.120 0.001 0.000 0.245 417 V C 2.669 178.641 176.094 -0.204 0.000 1.045 417 V CA 2.142 64.301 62.300 -0.235 0.000 1.024 417 V CB -1.243 30.496 31.823 -0.141 0.000 0.651 417 V HN 0.615 nan 8.190 nan 0.000 0.449 418 G N -0.328 108.388 108.800 -0.140 0.000 2.418 418 G HA2 -0.231 3.730 3.960 0.001 0.000 0.217 418 G HA3 -0.231 3.730 3.960 0.001 0.000 0.217 418 G C 1.739 176.580 174.900 -0.099 0.000 1.158 418 G CA 0.665 45.709 45.100 -0.094 0.000 0.771 418 G HN 0.434 nan 8.290 nan 0.000 0.545 419 R N 0.457 120.874 120.500 -0.137 0.000 2.092 419 R HA 0.080 4.420 4.340 0.001 0.000 0.231 419 R C 3.008 179.237 176.300 -0.117 0.000 1.119 419 R CA 1.059 57.111 56.100 -0.080 0.000 0.970 419 R CB -0.335 29.947 30.300 -0.030 0.000 0.864 419 R HN 0.348 nan 8.270 nan 0.000 0.440 420 A N 1.568 124.169 122.820 -0.365 0.000 1.898 420 A HA -0.137 4.184 4.320 0.001 0.000 0.216 420 A C 1.618 179.139 177.584 -0.105 0.000 1.181 420 A CA 1.375 53.236 52.037 -0.294 0.000 0.620 420 A CB -0.289 18.454 19.000 -0.428 0.000 0.819 420 A HN 0.225 nan 8.150 nan 0.000 0.442 421 N N 0.280 118.909 118.700 -0.119 0.000 2.463 421 N HA -0.055 4.686 4.740 0.001 0.000 0.181 421 N C 0.317 175.809 175.510 -0.029 0.000 1.078 421 N CA 0.309 53.314 53.050 -0.075 0.000 0.902 421 N CB -0.422 38.008 38.487 -0.094 0.000 0.970 421 N HN 0.384 nan 8.380 nan 0.000 0.451 422 N N 1.081 119.773 118.700 -0.012 0.000 3.050 422 N HA 0.027 4.768 4.740 0.001 0.000 0.289 422 N C -1.259 174.271 175.510 0.033 0.000 1.209 422 N CA 0.133 53.189 53.050 0.010 0.000 1.154 422 N CB -0.274 38.225 38.487 0.021 0.000 1.444 422 N HN -0.080 nan 8.380 nan 0.000 0.529 423 S N -0.342 115.373 115.700 0.025 0.000 2.547 423 S HA 0.293 4.764 4.470 0.001 0.000 0.270 423 S C 0.798 175.394 174.600 -0.006 0.000 1.150 423 S CA -0.486 57.736 58.200 0.037 0.000 0.850 423 S CB 0.418 63.683 63.200 0.108 0.000 1.118 423 S HN 0.383 nan 8.310 nan 0.000 0.461 424 T N 0.547 115.046 114.554 -0.092 0.000 3.100 424 T HA 0.280 4.631 4.350 0.001 0.000 0.253 424 T C 0.506 175.107 174.700 -0.164 0.000 1.118 424 T CA 0.439 62.441 62.100 -0.164 0.000 1.058 424 T CB -0.471 68.240 68.868 -0.262 0.000 0.953 424 T HN 0.547 nan 8.240 nan 0.000 0.515 425 Y N 0.565 120.884 120.300 0.032 0.000 2.458 425 Y HA 0.579 5.129 4.550 0.001 0.000 0.322 425 Y C 1.294 177.209 175.900 0.025 0.000 1.259 425 Y CA -0.829 57.293 58.100 0.036 0.000 1.302 425 Y CB 1.623 40.110 38.460 0.046 0.000 1.314 425 Y HN 0.127 nan 8.280 nan 0.000 0.509 426 G N 0.873 109.804 108.800 0.217 0.000 5.153 426 G HA2 0.052 4.013 3.960 0.001 0.000 0.213 426 G HA3 0.052 4.013 3.960 0.001 0.000 0.213 426 G C -0.325 174.582 174.900 0.012 0.000 1.576 426 G CA -0.328 44.815 45.100 0.072 0.000 0.640 426 G HN 0.520 nan 8.290 nan 0.000 0.237 427 L N 0.537 121.763 121.223 0.005 0.000 2.102 427 L HA 0.776 5.117 4.340 0.001 0.000 0.202 427 L C 1.158 177.903 176.870 -0.208 0.000 1.076 427 L CA 2.245 57.029 54.840 -0.094 0.000 0.761 427 L CB 0.011 42.059 42.059 -0.018 0.000 0.921 427 L HN 0.552 nan 8.230 nan 0.000 0.444 428 A N -1.931 120.820 122.820 -0.115 0.000 2.583 428 A HA 0.906 5.227 4.320 0.001 0.000 0.289 428 A C -1.457 176.072 177.584 -0.093 0.000 1.151 428 A CA -0.100 51.811 52.037 -0.210 0.000 0.695 428 A CB 0.982 19.906 19.000 -0.126 0.000 1.290 428 A HN 0.479 nan 8.150 nan 0.000 0.419 429 A N -1.180 121.558 122.820 -0.137 0.000 2.597 429 A HA 0.957 5.278 4.320 0.001 0.000 0.292 429 A C -0.710 176.944 177.584 0.117 0.000 1.057 429 A CA 0.129 52.187 52.037 0.035 0.000 0.674 429 A CB 0.679 19.630 19.000 -0.081 0.000 1.278 429 A HN 2.643 nan 8.150 nan 0.000 0.416 430 A N -0.005 123.007 122.820 0.321 0.000 2.539 430 A HA 0.820 5.141 4.320 0.001 0.000 0.296 430 A C -1.423 176.373 177.584 0.352 0.000 1.073 430 A CA -0.542 51.755 52.037 0.433 0.000 0.700 430 A CB 1.691 21.224 19.000 0.889 0.000 1.296 430 A HN 1.755 nan 8.150 nan 0.000 0.405 431 V N 1.198 121.276 119.914 0.273 0.000 2.577 431 V HA 0.534 4.655 4.120 0.001 0.000 0.303 431 V C -1.606 174.583 176.094 0.158 0.000 1.042 431 V CA -0.223 62.212 62.300 0.225 0.000 0.872 431 V CB 1.423 33.302 31.823 0.094 0.000 0.998 431 V HN 0.716 nan 8.190 nan 0.000 0.423 432 F N 2.943 122.998 119.950 0.175 0.000 2.382 432 F HA 0.749 5.277 4.527 0.001 0.000 0.361 432 F C 0.328 176.231 175.800 0.171 0.000 1.109 432 F CA -0.185 57.931 58.000 0.194 0.000 1.031 432 F CB 1.981 41.104 39.000 0.206 0.000 1.234 432 F HN 0.520 nan 8.300 nan 0.000 0.445 433 T N 1.768 116.450 114.554 0.214 0.000 2.802 433 T HA 0.324 4.675 4.350 0.001 0.000 0.311 433 T C 0.203 174.973 174.700 0.117 0.000 1.405 433 T CA -0.597 61.606 62.100 0.171 0.000 1.016 433 T CB 1.682 70.634 68.868 0.140 0.000 1.352 433 T HN 0.605 nan 8.240 nan 0.000 0.498 434 K N 0.401 120.862 120.400 0.102 0.000 2.354 434 K HA 0.194 4.514 4.320 0.001 0.000 0.194 434 K C -0.243 176.387 176.600 0.050 0.000 1.045 434 K CA -0.083 56.245 56.287 0.069 0.000 1.026 434 K CB 0.289 32.829 32.500 0.068 0.000 0.866 434 K HN 0.508 nan 8.250 nan 0.000 0.530 435 D N 1.073 121.506 120.400 0.057 0.000 2.343 435 D HA -0.002 4.639 4.640 0.001 0.000 0.255 435 D C 0.878 177.202 176.300 0.041 0.000 1.187 435 D CA -0.204 53.822 54.000 0.044 0.000 0.875 435 D CB 1.080 41.907 40.800 0.045 0.000 1.136 435 D HN -0.141 nan 8.370 nan 0.000 0.469 436 L N 4.077 125.318 121.223 0.030 0.000 2.012 436 L HA -0.141 4.200 4.340 0.001 0.000 0.210 436 L C 1.240 178.133 176.870 0.038 0.000 1.073 436 L CA 1.936 56.792 54.840 0.028 0.000 0.748 436 L CB -0.358 41.713 42.059 0.020 0.000 0.891 436 L HN 0.474 nan 8.230 nan 0.000 0.431 437 D N -0.534 119.888 120.400 0.036 0.000 2.219 437 D HA -0.139 4.502 4.640 0.001 0.000 0.205 437 D C 2.155 178.500 176.300 0.074 0.000 0.970 437 D CA 1.037 55.063 54.000 0.044 0.000 0.851 437 D CB 0.027 40.837 40.800 0.017 0.000 0.943 437 D HN 0.435 nan 8.370 nan 0.000 0.488 438 K N 0.503 120.943 120.400 0.067 0.000 2.031 438 K HA 0.059 4.380 4.320 0.001 0.000 0.205 438 K C 2.145 178.822 176.600 0.130 0.000 1.049 438 K CA 0.909 57.258 56.287 0.103 0.000 0.939 438 K CB -0.023 32.528 32.500 0.086 0.000 0.717 438 K HN -0.013 nan 8.250 nan 0.000 0.438 439 A N 2.198 125.068 122.820 0.084 0.000 1.883 439 A HA -0.232 4.089 4.320 0.001 0.000 0.217 439 A C 1.829 179.442 177.584 0.048 0.000 1.186 439 A CA 1.914 53.985 52.037 0.057 0.000 0.624 439 A CB -0.583 18.437 19.000 0.033 0.000 0.822 439 A HN 0.235 nan 8.150 nan 0.000 0.444 440 N N -1.719 117.017 118.700 0.059 0.000 2.188 440 N HA -0.134 4.607 4.740 0.001 0.000 0.184 440 N C 1.604 177.150 175.510 0.061 0.000 1.018 440 N CA 1.590 54.667 53.050 0.045 0.000 0.858 440 N CB -0.619 37.896 38.487 0.046 0.000 0.989 440 N HN 0.675 nan 8.380 nan 0.000 0.426 441 Y N 1.677 121.967 120.300 -0.017 0.000 2.145 441 Y HA -0.095 4.456 4.550 0.001 0.000 0.286 441 Y C 2.203 178.080 175.900 -0.038 0.000 1.145 441 Y CA 1.435 59.522 58.100 -0.022 0.000 1.148 441 Y CB -0.455 37.997 38.460 -0.013 0.000 0.981 441 Y HN -0.048 nan 8.280 nan 0.000 0.507 442 L N -0.299 120.937 121.223 0.021 0.000 2.027 442 L HA -0.211 4.130 4.340 0.001 0.000 0.206 442 L C 2.786 179.570 176.870 -0.143 0.000 1.074 442 L CA 1.621 56.407 54.840 -0.090 0.000 0.745 442 L CB -0.851 41.222 42.059 0.023 0.000 0.898 442 L HN 0.384 nan 8.230 nan 0.000 0.433 443 S N -0.964 114.680 115.700 -0.092 0.000 2.419 443 S HA -0.298 4.173 4.470 0.001 0.000 0.235 443 S C 1.871 176.382 174.600 -0.148 0.000 1.019 443 S CA 1.493 59.624 58.200 -0.116 0.000 0.982 443 S CB -0.355 62.796 63.200 -0.081 0.000 0.789 443 S HN 0.526 nan 8.310 nan 0.000 0.490 444 Q N 1.087 120.795 119.800 -0.153 0.000 2.089 444 Q HA 0.143 4.484 4.340 0.001 0.000 0.195 444 Q C 2.313 178.187 176.000 -0.210 0.000 0.963 444 Q CA 0.959 56.668 55.803 -0.157 0.000 0.834 444 Q CB -0.507 28.153 28.738 -0.130 0.000 0.906 444 Q HN 0.663 nan 8.270 nan 0.000 0.452 445 A N 1.059 123.694 122.820 -0.309 0.000 1.930 445 A HA 0.007 4.328 4.320 0.001 0.000 0.217 445 A C 1.031 178.460 177.584 -0.258 0.000 1.175 445 A CA 0.403 52.241 52.037 -0.331 0.000 0.627 445 A CB -0.631 18.053 19.000 -0.527 0.000 0.815 445 A HN 0.402 nan 8.150 nan 0.000 0.443 446 L N 0.825 121.894 121.223 -0.257 0.000 2.513 446 L HA 0.006 4.347 4.340 0.001 0.000 0.272 446 L C 0.119 176.792 176.870 -0.328 0.000 1.187 446 L CA -0.044 54.642 54.840 -0.256 0.000 0.895 446 L CB 0.281 42.199 42.059 -0.235 0.000 1.147 446 L HN 0.429 nan 8.230 nan 0.000 0.483 447 Q N 3.704 123.309 119.800 -0.325 0.000 3.006 447 Q HA 0.494 4.835 4.340 0.001 0.000 0.260 447 Q C -0.336 175.234 176.000 -0.718 0.000 1.356 447 Q CA -0.273 55.243 55.803 -0.478 0.000 1.070 447 Q CB 0.785 29.423 28.738 -0.167 0.000 1.507 447 Q HN 0.697 nan 8.270 nan 0.000 0.568 448 A N -0.326 121.901 122.820 -0.987 0.000 2.498 448 A HA 0.699 5.019 4.320 0.001 0.000 0.298 448 A C 0.903 178.006 177.584 -0.802 0.000 1.075 448 A CA -0.472 51.125 52.037 -0.734 0.000 0.714 448 A CB 1.248 20.006 19.000 -0.403 0.000 1.299 448 A HN 0.535 nan 8.150 nan 0.000 0.407 449 G N -0.132 108.460 108.800 -0.346 0.000 2.443 449 G HA2 0.294 4.254 3.960 0.001 0.000 0.219 449 G HA3 0.294 4.254 3.960 0.001 0.000 0.219 449 G C 0.438 175.151 174.900 -0.312 0.000 1.131 449 G CA 1.587 46.604 45.100 -0.138 0.000 0.775 449 G HN 0.829 nan 8.290 nan 0.000 0.547 450 T N -0.059 114.214 114.554 -0.468 0.000 3.011 450 T HA 0.460 4.811 4.350 0.001 0.000 0.303 450 T C -1.083 173.174 174.700 -0.740 0.000 0.997 450 T CA -0.415 61.313 62.100 -0.620 0.000 1.007 450 T CB 2.552 70.950 68.868 -0.783 0.000 1.017 450 T HN -0.108 nan 8.240 nan 0.000 0.443 451 V N 4.164 123.731 119.914 -0.577 0.000 2.334 451 V HA 0.394 4.515 4.120 0.001 0.000 0.281 451 V C -0.498 175.380 176.094 -0.360 0.000 1.016 451 V CA -1.006 61.043 62.300 -0.418 0.000 0.832 451 V CB 0.815 32.486 31.823 -0.253 0.000 0.999 451 V HN 0.756 nan 8.190 nan 0.000 0.439 452 W N 3.686 124.891 121.300 -0.159 0.000 2.315 452 W HA 0.556 5.217 4.660 0.001 0.000 0.316 452 W C -0.406 176.030 176.519 -0.139 0.000 1.211 452 W CA -0.667 56.577 57.345 -0.168 0.000 1.201 452 W CB 1.693 31.006 29.460 -0.245 0.000 1.184 452 W HN 0.259 nan 8.180 nan 0.000 0.544 453 V N 5.111 125.062 119.914 0.061 0.000 2.350 453 V HA 0.130 4.251 4.120 0.001 0.000 0.285 453 V C 0.211 176.178 176.094 -0.212 0.000 1.014 453 V CA -0.934 61.318 62.300 -0.081 0.000 0.831 453 V CB 0.907 32.706 31.823 -0.042 0.000 1.000 453 V HN 0.674 nan 8.190 nan 0.000 0.433 454 N N 2.126 120.447 118.700 -0.632 0.000 2.747 454 N HA -0.172 4.569 4.740 0.001 0.000 0.249 454 N C -0.276 175.078 175.510 -0.261 0.000 1.107 454 N CA 1.256 53.851 53.050 -0.757 0.000 0.707 454 N CB -1.106 37.290 38.487 -0.152 0.000 1.054 454 N HN 1.054 nan 8.380 nan 0.000 0.555 455 C N -3.932 115.180 119.300 -0.313 0.000 3.275 455 C HA 0.775 5.236 4.460 0.001 0.000 0.340 455 C C -1.159 173.888 174.990 0.095 0.000 1.366 455 C CA -1.341 57.730 59.018 0.087 0.000 1.227 455 C CB 1.710 29.476 27.740 0.044 0.000 1.512 455 C HN 0.252 nan 8.230 nan 0.000 0.461 456 Y N 0.140 120.274 120.300 -0.277 0.000 2.544 456 Y HA 0.497 5.048 4.550 0.001 0.000 0.342 456 Y C -0.237 175.027 175.900 -1.060 0.000 1.062 456 Y CA 0.481 58.213 58.100 -0.613 0.000 1.023 456 Y CB 1.448 39.861 38.460 -0.079 0.000 1.308 456 Y HN 1.031 nan 8.280 nan 0.000 0.457 457 D N 1.841 120.925 120.400 -2.194 0.000 2.772 457 D HA -0.135 4.506 4.640 0.001 0.000 0.233 457 D C -1.047 174.572 176.300 -1.135 0.000 1.143 457 D CA 0.877 54.017 54.000 -1.434 0.000 0.700 457 D CB -1.168 39.501 40.800 -0.218 0.000 1.076 457 D HN 0.154 nan 8.370 nan 0.000 0.430 458 V N 1.304 120.420 119.914 -1.330 0.000 2.320 458 V HA 0.331 4.452 4.120 0.001 0.000 0.265 458 V C 0.527 176.480 176.094 -0.235 0.000 1.048 458 V CA -0.304 61.697 62.300 -0.498 0.000 0.865 458 V CB 0.066 31.720 31.823 -0.281 0.000 1.043 458 V HN 0.007 nan 8.190 nan 0.000 0.474 459 F N 2.490 122.463 119.950 0.038 0.000 2.422 459 F HA 0.784 5.312 4.527 0.002 0.000 0.333 459 F C 0.836 176.624 175.800 -0.021 0.000 1.095 459 F CA -0.477 57.549 58.000 0.043 0.000 1.038 459 F CB 2.078 41.077 39.000 -0.003 0.000 1.156 459 F HN 0.501 nan 8.300 nan 0.000 0.483 460 G N 0.492 109.361 108.800 0.116 0.000 2.707 460 G HA2 0.498 4.459 3.960 0.001 0.000 0.299 460 G HA3 0.498 4.459 3.960 0.001 0.000 0.299 460 G C 0.183 174.968 174.900 -0.191 0.000 1.442 460 G CA -0.374 44.707 45.100 -0.031 0.000 1.009 460 G HN 0.895 nan 8.290 nan 0.000 0.515 461 A N 1.829 124.467 122.820 -0.305 0.000 2.084 461 A HA -0.120 4.201 4.320 0.001 0.000 0.221 461 A C 2.170 179.089 177.584 -1.109 0.000 1.161 461 A CA 2.071 53.755 52.037 -0.588 0.000 0.653 461 A CB -0.087 18.618 19.000 -0.492 0.000 0.802 461 A HN 0.661 nan 8.150 nan 0.000 0.457 462 Q N -0.680 118.617 119.800 -0.839 0.000 2.408 462 Q HA 0.154 4.495 4.340 0.001 0.000 0.205 462 Q C -0.017 175.888 176.000 -0.159 0.000 0.919 462 Q CA 0.530 55.964 55.803 -0.615 0.000 0.932 462 Q CB -0.260 28.346 28.738 -0.221 0.000 1.058 462 Q HN 0.389 nan 8.270 nan 0.000 0.517 463 S N 4.063 119.683 115.700 -0.133 0.000 2.437 463 S HA 0.444 4.914 4.470 0.001 0.000 0.305 463 S C -2.439 172.148 174.600 -0.022 0.000 1.109 463 S CA -1.185 57.001 58.200 -0.023 0.000 1.099 463 S CB 1.611 64.808 63.200 -0.004 0.000 1.004 463 S HN 0.153 nan 8.310 nan 0.000 0.475 464 P HA 0.170 nan 4.420 nan 0.000 0.268 464 P C -0.927 176.393 177.300 0.033 0.000 1.208 464 P CA -0.116 62.959 63.100 -0.043 0.000 0.777 464 P CB 0.315 31.840 31.700 -0.291 0.000 0.875 465 F N 1.050 120.937 119.950 -0.104 0.000 2.573 465 F HA 0.639 5.166 4.527 0.001 0.000 0.316 465 F C -0.324 175.491 175.800 0.026 0.000 1.148 465 F CA 0.222 58.208 58.000 -0.023 0.000 0.940 465 F CB 1.944 40.976 39.000 0.052 0.000 1.214 465 F HN 0.627 nan 8.300 nan 0.000 0.448 466 G N 2.257 110.731 108.800 -0.543 0.000 2.430 466 G HA2 0.519 4.480 3.960 0.001 0.000 0.300 466 G HA3 0.519 4.480 3.960 0.001 0.000 0.300 466 G C -1.628 173.077 174.900 -0.324 0.000 1.330 466 G CA -0.226 44.683 45.100 -0.318 0.000 0.813 466 G HN 0.996 nan 8.290 nan 0.000 0.487 467 G N -1.615 107.107 108.800 -0.130 0.000 2.473 467 G HA2 0.612 4.573 3.960 0.001 0.000 0.321 467 G HA3 0.612 4.573 3.960 0.001 0.000 0.321 467 G C -1.667 173.285 174.900 0.086 0.000 1.200 467 G CA -0.581 44.507 45.100 -0.020 0.000 0.963 467 G HN 0.425 nan 8.290 nan 0.000 0.483 468 Y N 0.774 121.023 120.300 -0.084 0.000 2.376 468 Y HA 0.438 4.989 4.550 0.001 0.000 0.325 468 Y C 1.319 177.204 175.900 -0.024 0.000 1.199 468 Y CA -0.301 57.762 58.100 -0.062 0.000 1.206 468 Y CB 1.624 40.041 38.460 -0.071 0.000 1.229 468 Y HN 0.881 nan 8.280 nan 0.000 0.480 469 K N -0.125 120.332 120.400 0.095 0.000 1.844 469 K HA -0.331 3.990 4.320 0.001 0.000 0.160 469 K C 0.514 177.140 176.600 0.044 0.000 1.448 469 K CA 1.731 58.050 56.287 0.054 0.000 0.446 469 K CB -1.053 31.487 32.500 0.067 0.000 0.635 469 K HN 0.683 nan 8.250 nan 0.000 0.848 470 M N 1.098 120.722 119.600 0.039 0.000 2.639 470 M HA 0.029 4.510 4.480 0.001 0.000 0.220 470 M C 0.782 177.180 176.300 0.164 0.000 1.155 470 M CA 0.479 55.808 55.300 0.047 0.000 1.003 470 M CB 0.158 32.729 32.600 -0.049 0.000 1.725 470 M HN 0.325 nan 8.290 nan 0.000 0.489 471 S N 0.275 116.093 115.700 0.195 0.000 2.575 471 S HA 0.361 4.832 4.470 0.001 0.000 0.215 471 S C 0.735 175.406 174.600 0.118 0.000 0.966 471 S CA 0.346 58.673 58.200 0.213 0.000 0.911 471 S CB 0.274 63.579 63.200 0.175 0.000 0.780 471 S HN 0.749 nan 8.310 nan 0.000 0.514 472 G N 0.716 109.570 108.800 0.091 0.000 2.357 472 G HA2 0.316 4.277 3.960 0.001 0.000 0.289 472 G HA3 0.316 4.277 3.960 0.001 0.000 0.289 472 G C -1.233 173.679 174.900 0.020 0.000 1.302 472 G CA -0.322 44.817 45.100 0.064 0.000 0.936 472 G HN 0.728 nan 8.290 nan 0.000 0.513 473 S N -1.167 114.539 115.700 0.010 0.000 2.543 473 S HA 0.941 5.412 4.470 0.001 0.000 0.271 473 S C 0.266 174.855 174.600 -0.018 0.000 1.148 473 S CA 0.674 58.859 58.200 -0.025 0.000 0.914 473 S CB 1.448 64.635 63.200 -0.023 0.000 1.096 473 S HN 3.091 nan 8.310 nan 0.000 0.471 474 G N 2.347 111.123 108.800 -0.039 0.000 2.746 474 G HA2 0.118 4.078 3.960 0.001 0.000 0.685 474 G HA3 0.118 4.078 3.960 0.001 0.000 0.685 474 G C -1.310 173.585 174.900 -0.008 0.000 1.350 474 G CA -0.964 44.124 45.100 -0.020 0.000 0.837 474 G HN 0.848 nan 8.290 nan 0.000 0.564 475 R N 0.250 120.763 120.500 0.023 0.000 2.807 475 R HA 0.648 4.988 4.340 0.001 0.000 0.276 475 R C -0.191 176.170 176.300 0.101 0.000 0.979 475 R CA -0.729 55.392 56.100 0.034 0.000 0.928 475 R CB 1.890 32.178 30.300 -0.020 0.000 1.191 475 R HN 0.760 nan 8.270 nan 0.000 0.471 476 E N 1.586 121.857 120.200 0.119 0.000 2.299 476 E HA 0.583 4.934 4.350 0.001 0.000 0.265 476 E C -0.363 176.247 176.600 0.017 0.000 0.911 476 E CA -0.902 55.566 56.400 0.115 0.000 0.789 476 E CB 2.074 31.887 29.700 0.187 0.000 1.246 476 E HN 0.345 nan 8.360 nan 0.000 0.427 477 L N -0.182 121.054 121.223 0.021 0.000 0.586 477 L HA -0.254 4.087 4.340 0.001 0.000 0.356 477 L C 0.642 177.588 176.870 0.126 0.000 0.958 477 L CA 0.702 55.535 54.840 -0.013 0.000 1.223 477 L CB -1.314 40.544 42.059 -0.334 0.000 0.019 477 L HN 1.009 nan 8.230 nan 0.000 0.091 478 G N 0.171 108.977 108.800 0.011 0.000 2.692 478 G HA2 -0.310 3.651 3.960 0.001 0.000 0.248 478 G HA3 -0.310 3.651 3.960 0.001 0.000 0.248 478 G C 0.408 175.448 174.900 0.234 0.000 1.340 478 G CA 0.984 46.206 45.100 0.203 0.000 0.896 478 G HN 1.181 nan 8.290 nan 0.000 0.570 479 E N -1.054 119.218 120.200 0.120 0.000 2.208 479 E HA -0.056 4.295 4.350 0.001 0.000 0.193 479 E C 2.166 178.552 176.600 -0.356 0.000 0.988 479 E CA 1.498 57.636 56.400 -0.438 0.000 0.828 479 E CB -0.136 29.351 29.700 -0.354 0.000 0.763 479 E HN 0.629 nan 8.360 nan 0.000 0.478 480 Y N -0.054 120.205 120.300 -0.069 0.000 2.256 480 Y HA -0.068 4.483 4.550 0.001 0.000 0.288 480 Y C 2.431 178.307 175.900 -0.040 0.000 1.155 480 Y CA 1.150 59.228 58.100 -0.038 0.000 1.203 480 Y CB -0.667 37.792 38.460 -0.001 0.000 0.980 480 Y HN 0.158 nan 8.280 nan 0.000 0.530 481 G N -0.291 108.608 108.800 0.164 0.000 2.586 481 G HA2 -0.132 3.828 3.960 0.001 0.000 0.215 481 G HA3 -0.132 3.828 3.960 0.001 0.000 0.215 481 G C 1.306 176.239 174.900 0.055 0.000 1.128 481 G CA 0.716 45.908 45.100 0.154 0.000 0.774 481 G HN 0.418 nan 8.290 nan 0.000 0.543 482 L N -0.976 120.148 121.223 -0.164 0.000 2.513 482 L HA 0.148 4.488 4.340 0.001 0.000 0.222 482 L C 2.747 179.455 176.870 -0.271 0.000 1.096 482 L CA 0.052 54.671 54.840 -0.367 0.000 0.857 482 L CB -0.166 41.262 42.059 -1.050 0.000 1.026 482 L HN 0.162 nan 8.230 nan 0.000 0.469 483 Q N 0.891 120.604 119.800 -0.145 0.000 2.061 483 Q HA -0.198 4.143 4.340 0.001 0.000 0.204 483 Q C 2.423 178.393 176.000 -0.050 0.000 0.984 483 Q CA 1.885 57.670 55.803 -0.030 0.000 0.846 483 Q CB -0.264 28.482 28.738 0.014 0.000 0.902 483 Q HN 0.565 nan 8.270 nan 0.000 0.421 484 A N -0.184 122.583 122.820 -0.089 0.000 2.066 484 A HA -0.111 4.210 4.320 0.001 0.000 0.218 484 A C 0.907 178.260 177.584 -0.385 0.000 1.157 484 A CA 0.797 52.686 52.037 -0.246 0.000 0.670 484 A CB -0.310 18.483 19.000 -0.345 0.000 0.804 484 A HN 0.400 nan 8.150 nan 0.000 0.453 485 Y N 0.088 120.342 120.300 -0.076 0.000 2.583 485 Y HA 0.245 4.795 4.550 0.001 0.000 0.294 485 Y C 0.162 176.042 175.900 -0.034 0.000 1.170 485 Y CA 0.117 58.181 58.100 -0.061 0.000 1.265 485 Y CB 0.288 38.697 38.460 -0.084 0.000 1.119 485 Y HN 0.044 nan 8.280 nan 0.000 0.522 486 T N 0.027 114.608 114.554 0.046 0.000 2.881 486 T HA 0.330 4.681 4.350 0.001 0.000 0.290 486 T C -1.111 173.589 174.700 0.000 0.000 1.000 486 T CA -0.733 61.398 62.100 0.051 0.000 0.978 486 T CB 2.059 70.965 68.868 0.063 0.000 0.997 486 T HN -0.058 nan 8.240 nan 0.000 0.443 487 E N 2.043 122.261 120.200 0.031 0.000 2.171 487 E HA 0.560 4.911 4.350 0.001 0.000 0.271 487 E C -1.054 175.562 176.600 0.027 0.000 0.916 487 E CA -0.597 55.814 56.400 0.018 0.000 0.774 487 E CB 1.114 30.841 29.700 0.045 0.000 1.128 487 E HN 0.336 nan 8.360 nan 0.000 0.403 488 V N 5.112 125.029 119.914 0.005 0.000 2.407 488 V HA 0.345 4.466 4.120 0.001 0.000 0.278 488 V C 0.001 176.107 176.094 0.020 0.000 1.037 488 V CA -0.564 61.757 62.300 0.034 0.000 0.900 488 V CB 1.229 33.062 31.823 0.016 0.000 0.983 488 V HN 0.574 nan 8.190 nan 0.000 0.459 489 K N 3.081 123.495 120.400 0.023 0.000 2.394 489 K HA 0.467 4.788 4.320 0.001 0.000 0.260 489 K C -0.627 175.903 176.600 -0.118 0.000 0.967 489 K CA -0.338 55.926 56.287 -0.039 0.000 0.855 489 K CB 1.405 33.888 32.500 -0.029 0.000 1.101 489 K HN 0.692 nan 8.250 nan 0.000 0.433 490 T N 3.366 117.829 114.554 -0.152 0.000 2.743 490 T HA 0.246 4.597 4.350 0.001 0.000 0.293 490 T C -0.667 173.827 174.700 -0.344 0.000 0.945 490 T CA -0.425 61.532 62.100 -0.240 0.000 1.030 490 T CB 0.913 69.681 68.868 -0.166 0.000 0.912 490 T HN 0.285 nan 8.240 nan 0.000 0.483 491 V N 4.618 124.156 119.914 -0.626 0.000 2.357 491 V HA 0.388 4.509 4.120 0.001 0.000 0.284 491 V C 0.284 176.030 176.094 -0.580 0.000 1.018 491 V CA -0.722 61.184 62.300 -0.657 0.000 0.841 491 V CB 1.623 32.858 31.823 -0.980 0.000 0.991 491 V HN 0.899 nan 8.190 nan 0.000 0.437 492 T N 4.890 119.265 114.554 -0.298 0.000 2.821 492 T HA 0.471 4.822 4.350 0.001 0.000 0.307 492 T C -0.215 174.469 174.700 -0.026 0.000 1.034 492 T CA -0.278 61.718 62.100 -0.173 0.000 0.953 492 T CB 1.130 69.875 68.868 -0.205 0.000 0.968 492 T HN 0.339 nan 8.240 nan 0.000 0.462 493 V N 4.244 124.210 119.914 0.087 0.000 2.427 493 V HA 0.404 4.525 4.120 0.001 0.000 0.286 493 V C 0.569 176.862 176.094 0.331 0.000 1.034 493 V CA -1.099 61.321 62.300 0.198 0.000 0.893 493 V CB 1.476 33.443 31.823 0.239 0.000 0.982 493 V HN 0.708 nan 8.190 nan 0.000 0.452 494 K N 4.091 124.673 120.400 0.303 0.000 2.368 494 K HA 0.454 4.775 4.320 0.001 0.000 0.282 494 K C -0.532 176.127 176.600 0.098 0.000 1.035 494 K CA -0.248 56.178 56.287 0.232 0.000 0.973 494 K CB 1.087 33.696 32.500 0.182 0.000 0.957 494 K HN 0.674 nan 8.250 nan 0.000 0.474 495 V N 1.960 121.868 119.914 -0.010 0.000 2.864 495 V HA 0.388 4.509 4.120 0.001 0.000 0.314 495 V C -2.137 173.916 176.094 -0.069 0.000 1.073 495 V CA -1.993 60.304 62.300 -0.006 0.000 0.956 495 V CB 1.330 33.168 31.823 0.025 0.000 1.023 495 V HN 0.681 nan 8.190 nan 0.000 0.435 496 P HA -0.106 nan 4.420 nan 0.000 0.215 496 P C 0.099 177.356 177.300 -0.071 0.000 1.157 496 P CA 1.424 64.493 63.100 -0.051 0.000 0.874 496 P CB 0.136 31.815 31.700 -0.034 0.000 0.790 497 Q N -1.316 118.443 119.800 -0.068 0.000 2.380 497 Q HA 0.144 4.485 4.340 0.001 0.000 0.245 497 Q C -1.124 174.839 176.000 -0.061 0.000 0.893 497 Q CA -0.678 55.083 55.803 -0.070 0.000 0.922 497 Q CB 1.135 29.841 28.738 -0.052 0.000 1.432 497 Q HN -0.148 nan 8.270 nan 0.000 0.434 498 K N 3.653 124.013 120.400 -0.066 0.000 2.270 498 K HA 0.322 4.643 4.320 0.001 0.000 0.276 498 K C -1.008 175.575 176.600 -0.028 0.000 1.023 498 K CA 0.105 56.369 56.287 -0.037 0.000 0.955 498 K CB 0.691 33.180 32.500 -0.018 0.000 0.975 498 K HN 0.664 nan 8.250 nan 0.000 0.471 499 N N 1.075 119.760 118.700 -0.025 0.000 2.329 499 N HA 0.088 4.829 4.740 0.001 0.000 0.282 499 N C -0.862 174.637 175.510 -0.018 0.000 1.198 499 N CA -0.520 52.516 53.050 -0.022 0.000 0.790 499 N CB 2.007 40.476 38.487 -0.031 0.000 1.579 499 N HN 0.756 nan 8.380 nan 0.000 0.475 500 S N 0.000 115.693 115.700 -0.012 0.000 2.498 500 S HA 0.000 4.471 4.470 0.001 0.000 0.327 500 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 500 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517