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 1qho_1_A DATA FIRST_RESID 1 DATA SEQUENCE SSSASVKGDV IYQIIIDRFY DGDTTNNNPA KSYGLYDPTK SKWKMYWGGD DATA SEQUENCE LEGVRQKLPY LKQLGVTTIW LSPVLDNLDT LAGTDNTGYH GYWTRDFKQI DATA SEQUENCE EEHFGNWTTF DTLVNDAHQN GIKVIVDFVP NHSTPFKAND STFAEGGALY DATA SEQUENCE NNGTYMGNYF DDATKGYFHH NGDISNWDDR YEAQWKNFTD PAGFSLADLS DATA SEQUENCE QENGTIAQYL TDAAVQLVAH GADGLRIDAV KHFNSGFSKS LADKLYQKKD DATA SEQUENCE IFLVGEWYGD DPGTANHLEK VRYANNSGVN VLDFDLNTVI RNVFGTFTQT DATA SEQUENCE MYDLNNMVNQ TGNEYKYKEN LITFIDNHDM SRFLSVNSNK ANLHQALAFI DATA SEQUENCE LTSRGTPSIY YGTEQYMAGG NDPYNRGMMP AFDTTTTAFK EVSTLAGLRR DATA SEQUENCE NNAAIQYGTT TQRWINNDVY IYERKFFNDV VLVAINRNTQ SSYSISGLQT DATA SEQUENCE ALPNGSYADY LSGLLGGNGI SVSNGSVASF TLAPGAVSVW QYSTSASAPQ DATA SEQUENCE IGSVAPNMGI PGNVVTIDGK GFGTTQGTVT FGGVTATVKS WTSNRIEVYV DATA SEQUENCE PNMAAGLTDV KVTAGGVSSN LYSYNILSGT QTSVVFTVKS APPTNLGDKI DATA SEQUENCE YLTGNIPELG NWSTDTSGAV NNAQGPLLAP NYPDWFYVFS VPAGKTIQFK DATA SEQUENCE FFIKRADGTI QWENGSNHVA TTPTGATGNI TVTWQN 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.569 174.600 -0.052 0.000 1.055 1 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 1 S CB 0.000 63.172 63.200 -0.047 0.000 0.593 2 S N 0.281 115.947 115.700 -0.056 0.000 2.561 2 S HA 0.092 4.562 4.470 0.000 0.000 0.225 2 S C 1.381 175.959 174.600 -0.038 0.000 0.977 2 S CA 0.933 59.101 58.200 -0.053 0.000 0.926 2 S CB -0.704 62.459 63.200 -0.062 0.000 0.769 2 S HN 0.675 nan 8.310 nan 0.000 0.533 3 S N 1.888 117.577 115.700 -0.018 0.000 2.453 3 S HA 0.216 4.686 4.470 0.000 0.000 0.231 3 S C 2.198 176.843 174.600 0.074 0.000 1.005 3 S CA 0.722 58.941 58.200 0.033 0.000 0.949 3 S CB -0.479 62.757 63.200 0.060 0.000 0.774 3 S HN 0.774 nan 8.310 nan 0.000 0.510 4 A N 0.893 123.739 122.820 0.044 0.000 1.898 4 A HA 0.088 4.408 4.320 0.000 0.000 0.216 4 A C 1.391 179.030 177.584 0.092 0.000 1.181 4 A CA 1.043 53.122 52.037 0.069 0.000 0.620 4 A CB -0.229 18.766 19.000 -0.008 0.000 0.819 4 A HN 0.399 nan 8.150 nan 0.000 0.442 5 S N -1.122 114.577 115.700 -0.002 0.000 2.500 5 S HA 0.445 4.915 4.470 0.000 0.000 0.301 5 S C 0.084 174.577 174.600 -0.177 0.000 1.092 5 S CA -0.049 58.117 58.200 -0.056 0.000 1.030 5 S CB 1.815 64.999 63.200 -0.026 0.000 1.031 5 S HN 0.917 nan 8.310 nan 0.000 0.483 6 V N 3.119 122.817 119.914 -0.361 0.000 3.214 6 V HA 0.442 4.562 4.120 0.000 0.000 0.330 6 V C 1.215 177.157 176.094 -0.254 0.000 1.403 6 V CA -0.145 61.938 62.300 -0.362 0.000 1.143 6 V CB -0.593 30.880 31.823 -0.583 0.000 1.098 6 V HN 0.801 nan 8.190 nan 0.000 0.463 7 K N 1.891 122.181 120.400 -0.183 0.000 2.209 7 K HA 0.029 4.349 4.320 0.000 0.000 0.204 7 K C 1.838 178.304 176.600 -0.223 0.000 1.048 7 K CA 1.535 57.721 56.287 -0.168 0.000 0.940 7 K CB -0.158 32.272 32.500 -0.118 0.000 0.729 7 K HN 0.644 nan 8.250 nan 0.000 0.451 8 G N 0.577 109.251 108.800 -0.210 0.000 3.284 8 G HA2 -0.011 3.949 3.960 0.000 0.000 0.236 8 G HA3 -0.011 3.949 3.960 0.000 0.000 0.236 8 G C -0.479 174.330 174.900 -0.152 0.000 1.158 8 G CA -0.242 44.734 45.100 -0.206 0.000 0.774 8 G HN 0.089 nan 8.290 nan 0.000 0.545 9 D N -0.463 119.853 120.400 -0.140 0.000 2.385 9 D HA 0.545 5.186 4.640 0.000 0.000 0.254 9 D C -0.418 175.833 176.300 -0.081 0.000 1.053 9 D CA -0.402 53.536 54.000 -0.104 0.000 0.992 9 D CB 2.315 43.054 40.800 -0.103 0.000 1.145 9 D HN -0.168 nan 8.370 nan 0.000 0.523 10 V N 1.605 121.489 119.914 -0.051 0.000 2.409 10 V HA 0.366 4.486 4.120 0.000 0.000 0.291 10 V C 0.141 176.262 176.094 0.045 0.000 1.020 10 V CA -0.682 61.611 62.300 -0.012 0.000 0.848 10 V CB 1.206 33.014 31.823 -0.024 0.000 0.990 10 V HN 0.362 nan 8.190 nan 0.000 0.430 11 I N 4.768 125.394 120.570 0.095 0.000 2.472 11 I HA 0.346 4.516 4.170 0.000 0.000 0.290 11 I C -0.890 175.375 176.117 0.246 0.000 1.016 11 I CA -0.427 60.980 61.300 0.178 0.000 1.348 11 I CB 0.962 39.097 38.000 0.226 0.000 1.417 11 I HN 0.599 nan 8.210 nan 0.000 0.521 12 Y N 5.845 126.204 120.300 0.097 0.000 2.326 12 Y HA 0.263 4.813 4.550 0.000 0.000 0.329 12 Y C -0.316 175.593 175.900 0.014 0.000 0.973 12 Y CA -0.607 57.524 58.100 0.051 0.000 1.162 12 Y CB 1.215 39.683 38.460 0.013 0.000 1.147 12 Y HN 0.486 nan 8.280 nan 0.000 0.456 13 Q N 7.302 126.929 119.800 -0.288 0.000 2.322 13 Q HA 0.468 4.809 4.340 0.000 0.000 0.256 13 Q C -1.389 174.347 176.000 -0.440 0.000 0.960 13 Q CA -0.323 55.177 55.803 -0.506 0.000 0.934 13 Q CB 0.608 28.832 28.738 -0.857 0.000 1.200 13 Q HN 0.777 nan 8.270 nan 0.000 0.435 14 I N 4.822 125.141 120.570 -0.419 0.000 2.378 14 I HA 0.277 4.447 4.170 0.000 0.000 0.291 14 I C -0.199 175.665 176.117 -0.421 0.000 0.992 14 I CA -0.961 60.068 61.300 -0.452 0.000 1.154 14 I CB 1.631 39.321 38.000 -0.517 0.000 1.315 14 I HN 0.548 nan 8.210 nan 0.000 0.448 15 I N 7.214 127.484 120.570 -0.502 0.000 2.294 15 I HA 0.138 4.308 4.170 0.000 0.000 0.295 15 I C 1.342 177.236 176.117 -0.371 0.000 1.098 15 I CA 0.176 61.283 61.300 -0.322 0.000 1.277 15 I CB 0.653 38.591 38.000 -0.103 0.000 1.434 15 I HN 0.684 nan 8.210 nan 0.000 0.498 16 I N 3.868 124.217 120.570 -0.369 0.000 2.113 16 I HA -0.346 3.824 4.170 0.000 0.000 0.242 16 I C 1.981 177.895 176.117 -0.339 0.000 1.064 16 I CA 1.816 62.843 61.300 -0.454 0.000 1.320 16 I CB -0.190 37.283 38.000 -0.879 0.000 1.028 16 I HN 0.546 nan 8.210 nan 0.000 0.406 17 D N 0.397 120.646 120.400 -0.251 0.000 2.309 17 D HA -0.156 4.484 4.640 0.000 0.000 0.212 17 D C 1.772 178.121 176.300 0.082 0.000 0.968 17 D CA 0.943 54.982 54.000 0.065 0.000 0.882 17 D CB 0.199 41.162 40.800 0.271 0.000 0.918 17 D HN 0.082 nan 8.370 nan 0.000 0.503 18 R N -0.790 119.706 120.500 -0.007 0.000 2.509 18 R HA 0.136 4.476 4.340 0.000 0.000 0.300 18 R C 0.566 176.886 176.300 0.034 0.000 0.985 18 R CA -0.178 55.944 56.100 0.037 0.000 1.092 18 R CB -0.316 29.990 30.300 0.010 0.000 1.237 18 R HN 0.271 nan 8.270 nan 0.000 0.546 19 F N -0.243 119.627 119.950 -0.134 0.000 2.389 19 F HA 0.229 4.756 4.527 0.000 0.000 0.275 19 F C -0.261 175.706 175.800 0.278 0.000 1.009 19 F CA 0.215 58.204 58.000 -0.018 0.000 1.187 19 F CB 0.432 39.361 39.000 -0.117 0.000 1.139 19 F HN -0.107 nan 8.300 nan 0.000 0.613 20 Y N 0.686 121.022 120.300 0.059 0.000 2.442 20 Y HA 0.263 4.813 4.550 0.000 0.000 0.330 20 Y C -1.397 174.526 175.900 0.039 0.000 1.100 20 Y CA -1.826 56.265 58.100 -0.015 0.000 1.034 20 Y CB 0.777 39.150 38.460 -0.147 0.000 1.285 20 Y HN 0.027 nan 8.280 nan 0.000 0.440 21 D N 3.556 123.661 120.400 -0.492 0.000 2.453 21 D HA 0.251 4.891 4.640 0.000 0.000 0.223 21 D C 0.893 176.929 176.300 -0.441 0.000 1.183 21 D CA 0.564 54.371 54.000 -0.321 0.000 0.933 21 D CB 0.798 41.461 40.800 -0.229 0.000 1.038 21 D HN 0.859 nan 8.370 nan 0.000 0.513 22 G N 2.569 111.277 108.800 -0.152 0.000 2.880 22 G HA2 -0.042 3.918 3.960 0.000 0.000 0.209 22 G HA3 -0.042 3.918 3.960 0.000 0.000 0.209 22 G C 0.289 175.173 174.900 -0.027 0.000 1.157 22 G CA -0.140 44.948 45.100 -0.020 0.000 0.779 22 G HN 0.456 nan 8.290 nan 0.000 0.539 23 D N -0.235 120.136 120.400 -0.048 0.000 2.375 23 D HA 0.155 4.795 4.640 0.000 0.000 0.241 23 D C 1.449 177.709 176.300 -0.068 0.000 1.361 23 D CA -0.176 53.800 54.000 -0.040 0.000 0.995 23 D CB 0.817 41.607 40.800 -0.016 0.000 1.312 23 D HN 0.010 nan 8.370 nan 0.000 0.576 24 T N -0.652 113.854 114.554 -0.080 0.000 3.072 24 T HA -0.121 4.229 4.350 0.000 0.000 0.266 24 T C 1.628 176.254 174.700 -0.124 0.000 1.127 24 T CA 1.419 63.457 62.100 -0.104 0.000 1.107 24 T CB -0.345 68.474 68.868 -0.081 0.000 0.910 24 T HN 0.359 nan 8.240 nan 0.000 0.513 25 T N 0.682 115.179 114.554 -0.096 0.000 3.085 25 T HA -0.040 4.310 4.350 0.000 0.000 0.263 25 T C 1.412 176.033 174.700 -0.131 0.000 1.127 25 T CA 0.764 62.805 62.100 -0.098 0.000 1.103 25 T CB -0.582 68.247 68.868 -0.066 0.000 0.921 25 T HN 0.602 nan 8.240 nan 0.000 0.510 26 N N 0.451 119.065 118.700 -0.143 0.000 2.238 26 N HA 0.160 4.900 4.740 0.000 0.000 0.222 26 N C 0.789 176.138 175.510 -0.269 0.000 1.133 26 N CA -0.346 52.591 53.050 -0.188 0.000 0.854 26 N CB -0.528 37.884 38.487 -0.124 0.000 1.041 26 N HN 0.153 nan 8.380 nan 0.000 0.510 27 N N 0.962 119.469 118.700 -0.322 0.000 2.244 27 N HA -0.091 4.649 4.740 0.000 0.000 0.183 27 N C -0.320 174.868 175.510 -0.537 0.000 1.016 27 N CA 0.954 53.689 53.050 -0.525 0.000 0.866 27 N CB -0.107 37.760 38.487 -1.034 0.000 0.980 27 N HN 0.346 nan 8.380 nan 0.000 0.430 28 N N -0.262 118.184 118.700 -0.422 0.000 2.716 28 N HA 0.235 4.975 4.740 0.000 0.000 0.245 28 N C -2.958 172.456 175.510 -0.160 0.000 1.495 28 N CA -1.396 51.497 53.050 -0.261 0.000 0.759 28 N CB 0.766 39.144 38.487 -0.181 0.000 1.261 28 N HN -0.109 nan 8.380 nan 0.000 0.515 29 P HA 0.178 nan 4.420 nan 0.000 0.269 29 P C 0.589 177.873 177.300 -0.027 0.000 1.209 29 P CA -0.215 62.763 63.100 -0.204 0.000 0.776 29 P CB 0.866 32.357 31.700 -0.348 0.000 0.876 30 A N 3.115 125.929 122.820 -0.011 0.000 1.978 30 A HA -0.234 4.086 4.320 0.000 0.000 0.220 30 A C 2.084 179.660 177.584 -0.013 0.000 1.170 30 A CA 1.841 53.876 52.037 -0.005 0.000 0.636 30 A CB -1.061 17.892 19.000 -0.077 0.000 0.810 30 A HN 0.627 nan 8.150 nan 0.000 0.448 31 K N 0.284 120.646 120.400 -0.065 0.000 2.103 31 K HA -0.140 4.181 4.320 0.000 0.000 0.207 31 K C 0.555 177.128 176.600 -0.045 0.000 1.048 31 K CA 1.686 57.929 56.287 -0.074 0.000 0.930 31 K CB -0.125 32.306 32.500 -0.116 0.000 0.716 31 K HN 0.573 nan 8.250 nan 0.000 0.444 32 S N -0.757 114.921 115.700 -0.038 0.000 2.526 32 S HA 0.130 4.600 4.470 0.000 0.000 0.220 32 S C -0.735 173.911 174.600 0.077 0.000 1.159 32 S CA -1.007 57.207 58.200 0.023 0.000 1.196 32 S CB -0.327 62.892 63.200 0.032 0.000 1.225 32 S HN 0.256 nan 8.310 nan 0.000 0.432 33 Y N 2.380 122.663 120.300 -0.028 0.000 2.597 33 Y HA 0.386 4.936 4.550 0.000 0.000 0.336 33 Y C 1.445 177.376 175.900 0.053 0.000 1.216 33 Y CA 1.915 60.015 58.100 0.001 0.000 1.463 33 Y CB 0.263 38.715 38.460 -0.014 0.000 1.303 33 Y HN 0.821 nan 8.280 nan 0.000 0.576 34 G N 4.273 112.767 108.800 -0.510 0.000 2.141 34 G HA2 -0.243 3.717 3.960 0.000 0.000 0.242 34 G HA3 -0.243 3.717 3.960 0.000 0.000 0.242 34 G C 0.240 175.117 174.900 -0.039 0.000 0.982 34 G CA 0.297 45.240 45.100 -0.261 0.000 0.662 34 G HN 0.669 nan 8.290 nan 0.000 0.527 35 L N -0.573 120.679 121.223 0.048 0.000 2.728 35 L HA 0.406 4.746 4.340 0.000 0.000 0.238 35 L C 0.712 177.742 176.870 0.266 0.000 1.143 35 L CA -0.545 54.396 54.840 0.169 0.000 0.937 35 L CB 0.173 42.370 42.059 0.229 0.000 1.225 35 L HN 0.276 nan 8.230 nan 0.000 0.507 36 Y N 1.282 121.615 120.300 0.055 0.000 2.342 36 Y HA 0.458 5.008 4.550 0.000 0.000 0.334 36 Y C -0.789 175.144 175.900 0.056 0.000 1.067 36 Y CA -1.489 56.666 58.100 0.091 0.000 1.128 36 Y CB 1.302 39.785 38.460 0.039 0.000 1.200 36 Y HN -0.048 nan 8.280 nan 0.000 0.464 37 D N 8.221 128.374 120.400 -0.412 0.000 2.454 37 D HA 0.357 4.997 4.640 0.000 0.000 0.247 37 D C -2.173 173.607 176.300 -0.865 0.000 1.129 37 D CA -2.579 51.117 54.000 -0.506 0.000 0.877 37 D CB 1.841 42.554 40.800 -0.146 0.000 1.082 37 D HN 0.352 nan 8.370 nan 0.000 0.537 38 P HA -0.085 nan 4.420 nan 0.000 0.226 38 P C 1.028 178.068 177.300 -0.433 0.000 1.153 38 P CA 0.859 63.566 63.100 -0.655 0.000 0.777 38 P CB 0.053 31.536 31.700 -0.361 0.000 0.794 39 T N -3.764 110.530 114.554 -0.433 0.000 3.081 39 T HA 0.087 4.437 4.350 0.000 0.000 0.255 39 T C 0.887 175.241 174.700 -0.578 0.000 1.113 39 T CA -0.159 61.712 62.100 -0.382 0.000 1.082 39 T CB -0.851 67.860 68.868 -0.261 0.000 0.939 39 T HN 0.065 nan 8.240 nan 0.000 0.506 40 K N 1.180 121.011 120.400 -0.948 0.000 3.148 40 K HA -0.164 4.156 4.320 0.000 0.000 0.267 40 K C 0.763 176.650 176.600 -1.189 0.000 0.996 40 K CA 0.668 55.843 56.287 -1.853 0.000 0.737 40 K CB -2.134 29.282 32.500 -1.807 0.000 1.308 40 K HN 0.725 nan 8.250 nan 0.000 0.470 41 S N -1.549 113.811 115.700 -0.568 0.000 2.649 41 S HA 0.095 4.565 4.470 0.000 0.000 0.246 41 S C 0.166 174.820 174.600 0.090 0.000 1.057 41 S CA -0.581 57.515 58.200 -0.173 0.000 1.051 41 S CB 0.521 63.675 63.200 -0.077 0.000 1.018 41 S HN 0.259 nan 8.310 nan 0.000 0.569 42 K N 1.247 121.713 120.400 0.109 0.000 2.347 42 K HA 0.251 4.571 4.320 0.000 0.000 0.262 42 K C -0.849 175.936 176.600 0.308 0.000 1.052 42 K CA -0.537 55.894 56.287 0.239 0.000 0.946 42 K CB 0.477 33.063 32.500 0.143 0.000 1.220 42 K HN 0.282 nan 8.250 nan 0.000 0.450 43 W N 2.032 123.443 121.300 0.184 0.000 2.525 43 W HA -0.058 4.602 4.660 0.000 0.000 0.259 43 W C 1.065 177.293 176.519 -0.485 0.000 1.253 43 W CA 0.704 58.003 57.345 -0.076 0.000 1.262 43 W CB 0.247 29.637 29.460 -0.115 0.000 1.122 43 W HN 0.337 nan 8.180 nan 0.000 0.607 44 K N -0.931 119.395 120.400 -0.124 0.000 2.455 44 K HA 0.216 4.536 4.320 0.000 0.000 0.206 44 K C 0.451 176.902 176.600 -0.248 0.000 1.027 44 K CA -0.055 56.100 56.287 -0.219 0.000 1.113 44 K CB 0.194 32.781 32.500 0.144 0.000 0.850 44 K HN 0.059 nan 8.250 nan 0.000 0.503 45 M N 0.196 119.630 119.600 -0.277 0.000 2.494 45 M HA 0.262 4.742 4.480 0.000 0.000 0.300 45 M C -0.381 175.791 176.300 -0.214 0.000 1.189 45 M CA -0.887 54.355 55.300 -0.096 0.000 0.982 45 M CB 0.688 33.344 32.600 0.093 0.000 1.534 45 M HN -0.084 nan 8.290 nan 0.000 0.488 46 Y N 0.152 120.439 120.300 -0.022 0.000 2.442 46 Y HA -0.073 4.477 4.550 0.000 0.000 0.330 46 Y C 0.237 176.338 175.900 0.336 0.000 1.129 46 Y CA 0.467 58.599 58.100 0.054 0.000 1.365 46 Y CB 0.324 38.746 38.460 -0.064 0.000 1.233 46 Y HN 0.615 nan 8.280 nan 0.000 0.529 47 W N 0.975 122.376 121.300 0.168 0.000 3.114 47 W HA 0.271 4.931 4.660 0.000 0.000 0.279 47 W C 1.310 177.989 176.519 0.267 0.000 1.277 47 W CA 0.246 57.655 57.345 0.108 0.000 1.630 47 W CB -0.147 29.268 29.460 -0.076 0.000 1.087 47 W HN 0.819 nan 8.180 nan 0.000 0.637 48 G N -0.721 108.381 108.800 0.502 0.000 2.192 48 G HA2 -0.140 3.820 3.960 0.000 0.000 0.193 48 G HA3 -0.140 3.820 3.960 0.000 0.000 0.193 48 G C 0.732 175.758 174.900 0.210 0.000 0.999 48 G CA -0.422 44.870 45.100 0.320 0.000 0.659 48 G HN 0.432 nan 8.290 nan 0.000 0.503 49 G N 0.481 109.404 108.800 0.204 0.000 2.554 49 G HA2 0.559 4.519 3.960 0.000 0.000 0.238 49 G HA3 0.559 4.519 3.960 0.000 0.000 0.238 49 G C -0.045 174.896 174.900 0.068 0.000 1.259 49 G CA 1.022 46.183 45.100 0.101 0.000 0.843 49 G HN 1.006 nan 8.290 nan 0.000 0.582 50 D N -0.456 119.958 120.400 0.024 0.000 2.759 50 D HA 0.178 4.818 4.640 0.000 0.000 0.321 50 D C 1.134 177.424 176.300 -0.017 0.000 1.267 50 D CA -0.896 53.105 54.000 0.003 0.000 0.933 50 D CB 0.349 41.226 40.800 0.128 0.000 1.431 50 D HN 0.179 nan 8.370 nan 0.000 0.504 51 L N -0.825 120.404 121.223 0.011 0.000 2.093 51 L HA -0.041 4.299 4.340 0.000 0.000 0.208 51 L C 2.177 179.070 176.870 0.038 0.000 1.085 51 L CA 1.452 56.300 54.840 0.014 0.000 0.755 51 L CB -0.380 41.714 42.059 0.058 0.000 0.904 51 L HN 0.533 nan 8.230 nan 0.000 0.435 52 E N 0.752 120.985 120.200 0.056 0.000 2.150 52 E HA -0.143 4.207 4.350 0.000 0.000 0.193 52 E C 2.093 178.755 176.600 0.103 0.000 0.985 52 E CA 1.325 57.762 56.400 0.060 0.000 0.814 52 E CB -0.302 29.427 29.700 0.049 0.000 0.752 52 E HN 0.324 nan 8.360 nan 0.000 0.466 53 G N -0.050 108.840 108.800 0.150 0.000 2.402 53 G HA2 -0.200 3.761 3.960 0.000 0.000 0.216 53 G HA3 -0.200 3.761 3.960 0.000 0.000 0.216 53 G C 1.691 176.772 174.900 0.301 0.000 1.162 53 G CA 0.945 46.236 45.100 0.318 0.000 0.777 53 G HN 0.255 nan 8.290 nan 0.000 0.539 54 V N 0.550 120.603 119.914 0.232 0.000 2.343 54 V HA -0.140 3.980 4.120 0.000 0.000 0.247 54 V C 2.764 178.919 176.094 0.103 0.000 1.051 54 V CA 2.009 64.427 62.300 0.198 0.000 1.036 54 V CB -0.462 31.377 31.823 0.027 0.000 0.654 54 V HN 0.359 nan 8.190 nan 0.000 0.451 55 R N -0.212 120.320 120.500 0.053 0.000 2.096 55 R HA -0.185 4.155 4.340 0.000 0.000 0.235 55 R C 2.366 178.673 176.300 0.011 0.000 1.127 55 R CA 1.657 57.765 56.100 0.013 0.000 0.968 55 R CB -0.161 30.139 30.300 0.000 0.000 0.861 55 R HN 0.591 nan 8.270 nan 0.000 0.440 56 Q N -0.274 119.537 119.800 0.019 0.000 2.224 56 Q HA -0.083 4.257 4.340 0.000 0.000 0.203 56 Q C 0.935 176.856 176.000 -0.131 0.000 0.970 56 Q CA 0.937 56.716 55.803 -0.041 0.000 0.865 56 Q CB 0.289 29.023 28.738 -0.006 0.000 0.922 56 Q HN 0.023 nan 8.270 nan 0.000 0.445 57 K N 0.457 120.792 120.400 -0.108 0.000 2.446 57 K HA 0.128 4.448 4.320 0.000 0.000 0.203 57 K C 1.388 178.032 176.600 0.074 0.000 1.027 57 K CA 0.048 56.272 56.287 -0.104 0.000 1.166 57 K CB 0.255 32.711 32.500 -0.073 0.000 0.869 57 K HN 0.232 nan 8.250 nan 0.000 0.504 58 L N 0.952 122.195 121.223 0.033 0.000 2.042 58 L HA -0.159 4.181 4.340 0.000 0.000 0.210 58 L C -0.739 176.151 176.870 0.034 0.000 1.076 58 L CA 1.552 56.410 54.840 0.030 0.000 0.749 58 L CB -1.301 40.759 42.059 0.002 0.000 0.893 58 L HN 0.077 nan 8.230 nan 0.000 0.432 59 P HA -0.234 nan 4.420 nan 0.000 0.215 59 P C 1.376 178.725 177.300 0.081 0.000 1.153 59 P CA 1.361 64.481 63.100 0.034 0.000 0.853 59 P CB -0.079 31.631 31.700 0.016 0.000 0.788 60 Y N 0.524 120.831 120.300 0.010 0.000 2.145 60 Y HA -0.185 4.365 4.550 0.000 0.000 0.286 60 Y C 2.032 178.002 175.900 0.116 0.000 1.145 60 Y CA 1.549 59.713 58.100 0.107 0.000 1.148 60 Y CB -1.076 37.459 38.460 0.125 0.000 0.981 60 Y HN -0.227 nan 8.280 nan 0.000 0.507 61 L N 0.357 121.622 121.223 0.070 0.000 2.083 61 L HA -0.213 4.127 4.340 0.000 0.000 0.209 61 L C 2.607 179.360 176.870 -0.195 0.000 1.083 61 L CA 1.872 56.620 54.840 -0.154 0.000 0.752 61 L CB -0.612 41.397 42.059 -0.084 0.000 0.899 61 L HN 0.165 nan 8.230 nan 0.000 0.433 62 K N 0.178 120.520 120.400 -0.096 0.000 2.026 62 K HA -0.260 4.060 4.320 0.000 0.000 0.208 62 K C 2.244 178.776 176.600 -0.112 0.000 1.048 62 K CA 1.561 57.795 56.287 -0.088 0.000 0.929 62 K CB -0.067 32.409 32.500 -0.040 0.000 0.713 62 K HN 0.233 nan 8.250 nan 0.000 0.439 63 Q N 0.339 120.093 119.800 -0.076 0.000 2.124 63 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 63 Q C 2.055 177.935 176.000 -0.200 0.000 0.977 63 Q CA 1.193 56.986 55.803 -0.017 0.000 0.850 63 Q CB -0.042 28.786 28.738 0.149 0.000 0.901 63 Q HN 0.313 nan 8.270 nan 0.000 0.429 64 L N -0.513 120.405 121.223 -0.508 0.000 2.265 64 L HA 0.012 4.352 4.340 0.000 0.000 0.215 64 L C 1.146 177.662 176.870 -0.589 0.000 1.117 64 L CA 2.253 56.454 54.840 -1.065 0.000 0.782 64 L CB -0.195 41.248 42.059 -1.026 0.000 0.914 64 L HN 0.424 nan 8.230 nan 0.000 0.441 65 G N -1.795 106.797 108.800 -0.346 0.000 2.148 65 G HA2 -0.189 3.771 3.960 0.000 0.000 0.203 65 G HA3 -0.189 3.771 3.960 0.000 0.000 0.203 65 G C 0.135 174.932 174.900 -0.172 0.000 0.993 65 G CA -0.011 44.956 45.100 -0.222 0.000 0.661 65 G HN 0.239 nan 8.290 nan 0.000 0.518 66 V N 1.790 121.588 119.914 -0.194 0.000 2.572 66 V HA 0.453 4.573 4.120 0.000 0.000 0.291 66 V C 1.563 177.614 176.094 -0.071 0.000 1.039 66 V CA 1.343 63.571 62.300 -0.119 0.000 1.055 66 V CB 1.170 32.890 31.823 -0.172 0.000 0.969 66 V HN 0.655 nan 8.190 nan 0.000 0.482 67 T N -0.356 114.177 114.554 -0.035 0.000 3.004 67 T HA 0.182 4.532 4.350 0.000 0.000 0.266 67 T C 0.494 175.199 174.700 0.007 0.000 0.986 67 T CA -0.054 62.031 62.100 -0.025 0.000 0.902 67 T CB 0.410 69.251 68.868 -0.045 0.000 1.118 67 T HN 0.567 nan 8.240 nan 0.000 0.522 68 T N 2.191 116.766 114.554 0.035 0.000 3.011 68 T HA 0.567 4.917 4.350 0.000 0.000 0.303 68 T C -0.781 173.998 174.700 0.132 0.000 0.997 68 T CA -0.520 61.626 62.100 0.076 0.000 1.007 68 T CB 1.572 70.478 68.868 0.064 0.000 1.017 68 T HN 0.209 nan 8.240 nan 0.000 0.443 69 I N 3.142 123.790 120.570 0.131 0.000 2.342 69 I HA 0.332 4.502 4.170 0.000 0.000 0.291 69 I C -0.497 175.769 176.117 0.250 0.000 1.010 69 I CA -0.596 60.801 61.300 0.163 0.000 1.308 69 I CB 0.867 38.911 38.000 0.074 0.000 1.400 69 I HN 0.619 nan 8.210 nan 0.000 0.488 70 W N 9.242 130.583 121.300 0.069 0.000 2.311 70 W HA 0.473 5.133 4.660 0.000 0.000 0.317 70 W C -1.539 174.991 176.519 0.018 0.000 1.065 70 W CA -1.396 55.988 57.345 0.066 0.000 1.364 70 W CB 0.170 29.678 29.460 0.079 0.000 1.233 70 W HN 0.277 nan 8.180 nan 0.000 0.409 71 L N 6.972 128.411 121.223 0.359 0.000 2.305 71 L HA 0.196 4.536 4.340 0.000 0.000 0.281 71 L C 1.396 178.388 176.870 0.204 0.000 1.085 71 L CA -0.481 54.446 54.840 0.145 0.000 0.813 71 L CB 0.823 42.961 42.059 0.131 0.000 1.157 71 L HN 0.600 nan 8.230 nan 0.000 0.436 72 S N 3.474 119.160 115.700 -0.025 0.000 2.580 72 S HA 0.209 4.679 4.470 0.000 0.000 0.261 72 S C -2.437 172.143 174.600 -0.033 0.000 1.366 72 S CA -1.164 57.009 58.200 -0.045 0.000 0.996 72 S CB -0.101 62.999 63.200 -0.167 0.000 0.902 72 S HN 0.363 nan 8.310 nan 0.000 0.566 73 P HA 0.095 nan 4.420 nan 0.000 0.264 73 P C 0.758 178.060 177.300 0.004 0.000 1.193 73 P CA -0.223 62.798 63.100 -0.130 0.000 0.763 73 P CB 0.411 31.889 31.700 -0.370 0.000 0.810 74 V N 1.592 121.526 119.914 0.034 0.000 3.621 74 V HA 0.204 4.324 4.120 0.000 0.000 0.285 74 V C 0.526 176.569 176.094 -0.085 0.000 1.346 74 V CA 0.408 62.758 62.300 0.084 0.000 1.104 74 V CB -0.848 31.002 31.823 0.045 0.000 0.913 74 V HN 0.182 nan 8.190 nan 0.000 0.432 75 L N 1.115 122.239 121.223 -0.164 0.000 2.421 75 L HA 0.474 4.814 4.340 0.000 0.000 0.263 75 L C 0.306 177.026 176.870 -0.250 0.000 1.122 75 L CA -0.508 54.186 54.840 -0.243 0.000 0.804 75 L CB 0.434 42.345 42.059 -0.246 0.000 1.150 75 L HN 0.056 nan 8.230 nan 0.000 0.457 76 D N 1.894 122.158 120.400 -0.225 0.000 2.502 76 D HA -0.052 4.588 4.640 0.000 0.000 0.249 76 D C -0.370 175.838 176.300 -0.154 0.000 1.188 76 D CA 0.672 54.562 54.000 -0.185 0.000 0.890 76 D CB 0.183 40.905 40.800 -0.130 0.000 1.140 76 D HN 0.401 nan 8.370 nan 0.000 0.505 77 N N 2.730 121.354 118.700 -0.128 0.000 2.477 77 N HA 0.223 4.963 4.740 0.000 0.000 0.284 77 N C -0.330 175.201 175.510 0.035 0.000 1.182 77 N CA -0.982 52.042 53.050 -0.043 0.000 0.949 77 N CB 1.041 39.482 38.487 -0.075 0.000 1.204 77 N HN 0.353 nan 8.380 nan 0.000 0.526 78 L N 1.820 123.112 121.223 0.115 0.000 2.954 78 L HA -0.194 4.146 4.340 0.000 0.000 0.316 78 L C 0.390 177.315 176.870 0.093 0.000 1.192 78 L CA 0.973 55.885 54.840 0.121 0.000 0.863 78 L CB 0.153 42.327 42.059 0.192 0.000 1.198 78 L HN 0.553 nan 8.230 nan 0.000 0.519 79 D N 1.810 122.242 120.400 0.052 0.000 2.339 79 D HA 0.088 4.728 4.640 0.000 0.000 0.217 79 D C 0.690 177.018 176.300 0.047 0.000 1.050 79 D CA 0.962 54.985 54.000 0.040 0.000 0.856 79 D CB 0.039 40.833 40.800 -0.009 0.000 0.922 79 D HN 0.811 nan 8.370 nan 0.000 0.518 80 T N -2.902 111.672 114.554 0.033 0.000 2.883 80 T HA 0.603 4.953 4.350 0.000 0.000 0.284 80 T C 0.264 174.965 174.700 0.002 0.000 1.041 80 T CA -0.867 61.234 62.100 0.002 0.000 1.007 80 T CB 1.379 70.209 68.868 -0.063 0.000 1.220 80 T HN -0.173 nan 8.240 nan 0.000 0.552 81 L N 0.650 121.856 121.223 -0.028 0.000 2.466 81 L HA 0.582 4.923 4.340 0.000 0.000 0.257 81 L C 0.641 177.395 176.870 -0.193 0.000 1.189 81 L CA -0.820 54.006 54.840 -0.023 0.000 0.813 81 L CB 0.712 42.773 42.059 0.003 0.000 1.118 81 L HN 0.977 nan 8.230 nan 0.000 0.471 82 A N 1.768 124.499 122.820 -0.149 0.000 3.204 82 A HA 0.642 4.963 4.320 0.000 0.000 0.327 82 A C 0.259 177.877 177.584 0.057 0.000 0.998 82 A CA 0.121 51.903 52.037 -0.424 0.000 0.891 82 A CB -0.110 18.498 19.000 -0.654 0.000 1.061 82 A HN 0.955 nan 8.150 nan 0.000 0.478 83 G N 0.032 108.906 108.800 0.123 0.000 2.757 83 G HA2 0.002 3.962 3.960 0.000 0.000 0.638 83 G HA3 0.002 3.962 3.960 0.000 0.000 0.638 83 G C -0.073 174.955 174.900 0.213 0.000 1.344 83 G CA -0.499 44.793 45.100 0.319 0.000 0.855 83 G HN 1.040 nan 8.290 nan 0.000 0.537 84 T N 1.761 116.436 114.554 0.201 0.000 2.704 84 T HA 0.329 4.679 4.350 0.000 0.000 0.271 84 T C 0.650 175.449 174.700 0.165 0.000 1.000 84 T CA 1.496 63.691 62.100 0.159 0.000 1.216 84 T CB -0.031 68.922 68.868 0.142 0.000 0.961 84 T HN 0.953 nan 8.240 nan 0.000 0.515 85 D N 1.415 121.898 120.400 0.138 0.000 2.737 85 D HA -0.167 4.474 4.640 0.000 0.000 0.233 85 D C -0.032 176.367 176.300 0.165 0.000 1.155 85 D CA 0.841 54.921 54.000 0.134 0.000 0.667 85 D CB -0.888 39.989 40.800 0.128 0.000 1.060 85 D HN 0.515 nan 8.370 nan 0.000 0.427 86 N N 0.303 119.126 118.700 0.205 0.000 2.399 86 N HA 0.427 5.167 4.740 0.000 0.000 0.280 86 N C -0.666 175.033 175.510 0.315 0.000 1.008 86 N CA -0.129 53.100 53.050 0.298 0.000 0.894 86 N CB 1.362 40.097 38.487 0.414 0.000 1.273 86 N HN 0.132 nan 8.380 nan 0.000 0.486 87 T N -1.320 113.395 114.554 0.268 0.000 2.887 87 T HA 0.555 4.905 4.350 0.000 0.000 0.292 87 T C 0.747 175.332 174.700 -0.191 0.000 1.087 87 T CA -0.856 61.342 62.100 0.164 0.000 1.009 87 T CB 1.192 70.094 68.868 0.056 0.000 1.203 87 T HN 0.257 nan 8.240 nan 0.000 0.518 88 G N 0.263 108.895 108.800 -0.280 0.000 3.374 88 G HA2 0.179 4.139 3.960 0.000 0.000 0.252 88 G HA3 0.179 4.139 3.960 0.000 0.000 0.252 88 G C 0.774 174.934 174.900 -1.232 0.000 1.326 88 G CA 0.050 44.613 45.100 -0.895 0.000 1.133 88 G HN 0.873 nan 8.290 nan 0.000 0.528 89 Y N 0.558 120.007 120.300 -1.419 0.000 2.241 89 Y HA -0.303 4.247 4.550 0.000 0.000 0.286 89 Y C 2.267 177.771 175.900 -0.660 0.000 1.166 89 Y CA 1.617 58.832 58.100 -1.475 0.000 1.203 89 Y CB -0.762 37.041 38.460 -1.095 0.000 0.977 89 Y HN 0.502 nan 8.280 nan 0.000 0.529 90 H N -1.442 116.739 119.070 -1.482 0.000 2.502 90 H HA 0.321 4.877 4.556 0.000 0.000 0.283 90 H C 2.005 177.060 175.328 -0.455 0.000 1.015 90 H CA 0.311 55.821 56.048 -0.897 0.000 1.298 90 H CB -0.602 28.659 29.762 -0.834 0.000 1.411 90 H HN 0.460 nan 8.280 nan 0.000 0.556 91 G N -0.488 108.032 108.800 -0.468 0.000 2.175 91 G HA2 -0.337 3.623 3.960 0.000 0.000 0.244 91 G HA3 -0.337 3.623 3.960 0.000 0.000 0.244 91 G C 0.442 175.151 174.900 -0.318 0.000 0.982 91 G CA 0.314 45.224 45.100 -0.317 0.000 0.641 91 G HN 0.519 nan 8.290 nan 0.000 0.527 92 Y N -0.936 119.432 120.300 0.114 0.000 2.490 92 Y HA 0.360 4.910 4.550 0.000 0.000 0.281 92 Y C 0.751 176.869 175.900 0.364 0.000 1.174 92 Y CA -0.140 58.048 58.100 0.145 0.000 1.295 92 Y CB 0.361 38.852 38.460 0.052 0.000 1.062 92 Y HN 0.348 nan 8.280 nan 0.000 0.522 93 W N 1.334 122.767 121.300 0.222 0.000 2.286 93 W HA 0.362 5.022 4.660 0.000 0.000 0.296 93 W C -0.465 176.062 176.519 0.012 0.000 0.911 93 W CA -1.785 55.660 57.345 0.166 0.000 1.761 93 W CB -0.161 29.381 29.460 0.138 0.000 1.820 93 W HN -0.286 nan 8.180 nan 0.000 0.403 94 T N 2.565 117.187 114.554 0.114 0.000 2.780 94 T HA 0.184 4.534 4.350 0.000 0.000 0.294 94 T C 1.497 176.191 174.700 -0.010 0.000 0.949 94 T CA -0.378 61.608 62.100 -0.189 0.000 1.074 94 T CB 1.368 69.696 68.868 -0.901 0.000 0.910 94 T HN 0.394 nan 8.240 nan 0.000 0.501 95 R N 1.629 122.149 120.500 0.035 0.000 2.265 95 R HA 0.221 4.561 4.340 0.000 0.000 0.194 95 R C -0.289 176.181 176.300 0.283 0.000 0.931 95 R CA 0.003 56.228 56.100 0.209 0.000 1.032 95 R CB 0.501 30.929 30.300 0.213 0.000 0.980 95 R HN 0.421 nan 8.270 nan 0.000 0.497 96 D N -0.139 120.339 120.400 0.131 0.000 2.470 96 D HA 0.135 4.775 4.640 0.000 0.000 0.233 96 D C -0.705 175.684 176.300 0.149 0.000 1.372 96 D CA -0.703 53.450 54.000 0.257 0.000 0.994 96 D CB 0.813 41.723 40.800 0.184 0.000 1.377 96 D HN -0.032 nan 8.370 nan 0.000 0.586 97 F N 1.719 121.781 119.950 0.187 0.000 2.802 97 F HA 0.112 4.639 4.527 0.000 0.000 0.300 97 F C 2.106 177.924 175.800 0.031 0.000 1.168 97 F CA 0.358 58.379 58.000 0.034 0.000 1.433 97 F CB 0.388 39.316 39.000 -0.119 0.000 1.115 97 F HN 0.121 nan 8.300 nan 0.000 0.582 98 K N -0.243 120.299 120.400 0.237 0.000 2.353 98 K HA 0.208 4.528 4.320 0.000 0.000 0.195 98 K C 0.311 177.133 176.600 0.371 0.000 1.031 98 K CA 0.331 56.764 56.287 0.245 0.000 1.079 98 K CB 0.384 33.001 32.500 0.196 0.000 0.857 98 K HN 0.285 nan 8.250 nan 0.000 0.535 99 Q N 0.650 120.564 119.800 0.188 0.000 2.377 99 Q HA 0.364 4.704 4.340 0.000 0.000 0.271 99 Q C -0.386 175.434 176.000 -0.301 0.000 1.077 99 Q CA -0.873 54.956 55.803 0.042 0.000 0.820 99 Q CB 2.347 31.096 28.738 0.018 0.000 1.347 99 Q HN -0.077 nan 8.270 nan 0.000 0.444 100 I N 1.777 121.952 120.570 -0.658 0.000 2.634 100 I HA -0.008 4.162 4.170 0.000 0.000 0.284 100 I C 0.721 176.634 176.117 -0.340 0.000 1.124 100 I CA -0.029 60.896 61.300 -0.625 0.000 1.417 100 I CB 0.441 37.984 38.000 -0.763 0.000 1.396 100 I HN 0.652 nan 8.210 nan 0.000 0.571 101 E N 5.652 125.680 120.200 -0.287 0.000 2.480 101 E HA -0.110 4.240 4.350 0.000 0.000 0.258 101 E C 1.220 177.647 176.600 -0.287 0.000 0.984 101 E CA 0.117 56.322 56.400 -0.325 0.000 0.930 101 E CB 0.546 29.909 29.700 -0.562 0.000 0.936 101 E HN 0.517 nan 8.360 nan 0.000 0.466 102 E N 4.357 124.400 120.200 -0.262 0.000 2.204 102 E HA -0.259 4.091 4.350 0.000 0.000 0.194 102 E C 0.778 177.202 176.600 -0.292 0.000 0.989 102 E CA 1.477 57.727 56.400 -0.250 0.000 0.824 102 E CB -0.465 29.079 29.700 -0.259 0.000 0.756 102 E HN 0.774 nan 8.360 nan 0.000 0.477 103 H N -0.718 118.109 119.070 -0.405 0.000 2.491 103 H HA 0.004 4.560 4.556 0.000 0.000 0.290 103 H C 0.950 176.296 175.328 0.029 0.000 1.050 103 H CA 1.593 57.440 56.048 -0.335 0.000 1.309 103 H CB -0.039 29.330 29.762 -0.655 0.000 1.392 103 H HN 0.166 nan 8.280 nan 0.000 0.554 104 F N -1.072 118.891 119.950 0.021 0.000 2.656 104 F HA 0.401 4.928 4.527 0.000 0.000 0.291 104 F C 1.553 177.340 175.800 -0.022 0.000 1.122 104 F CA 0.742 58.751 58.000 0.014 0.000 1.427 104 F CB 0.160 39.169 39.000 0.015 0.000 1.125 104 F HN 0.226 nan 8.300 nan 0.000 0.583 105 G N 0.201 109.061 108.800 0.100 0.000 2.302 105 G HA2 0.178 4.138 3.960 0.000 0.000 0.264 105 G HA3 0.178 4.138 3.960 0.000 0.000 0.264 105 G C -1.481 173.395 174.900 -0.040 0.000 1.335 105 G CA -0.407 44.714 45.100 0.034 0.000 0.982 105 G HN 0.301 nan 8.290 nan 0.000 0.473 106 N N -1.983 116.701 118.700 -0.028 0.000 3.167 106 N HA 0.507 5.247 4.740 0.000 0.000 0.323 106 N C 0.550 176.032 175.510 -0.046 0.000 1.478 106 N CA -0.797 52.210 53.050 -0.073 0.000 0.753 106 N CB 0.296 38.788 38.487 0.007 0.000 1.721 106 N HN 0.584 nan 8.380 nan 0.000 0.618 107 W N -0.348 120.973 121.300 0.035 0.000 2.363 107 W HA -0.081 4.579 4.660 0.000 0.000 0.296 107 W C 1.830 178.449 176.519 0.166 0.000 1.212 107 W CA 1.611 58.987 57.345 0.052 0.000 1.260 107 W CB -0.365 29.084 29.460 -0.019 0.000 1.131 107 W HN 0.485 nan 8.180 nan 0.000 0.530 108 T N -0.469 114.287 114.554 0.337 0.000 2.746 108 T HA -0.209 4.141 4.350 0.000 0.000 0.267 108 T C 1.556 176.377 174.700 0.202 0.000 1.039 108 T CA 2.123 64.371 62.100 0.246 0.000 1.142 108 T CB -0.747 68.217 68.868 0.160 0.000 0.866 108 T HN 0.118 nan 8.240 nan 0.000 0.444 109 T N 1.774 116.424 114.554 0.160 0.000 2.746 109 T HA -0.060 4.290 4.350 0.000 0.000 0.267 109 T C 1.577 176.363 174.700 0.143 0.000 1.039 109 T CA 1.026 63.197 62.100 0.118 0.000 1.142 109 T CB -0.580 68.339 68.868 0.086 0.000 0.866 109 T HN 0.381 nan 8.240 nan 0.000 0.444 110 F N 2.507 122.487 119.950 0.051 0.000 2.102 110 F HA -0.134 4.393 4.527 0.000 0.000 0.298 110 F C 1.891 177.773 175.800 0.137 0.000 1.105 110 F CA 1.435 59.473 58.000 0.063 0.000 1.239 110 F CB -0.338 38.669 39.000 0.010 0.000 0.991 110 F HN 0.010 nan 8.300 nan 0.000 0.474 111 D N -0.310 120.324 120.400 0.390 0.000 2.123 111 D HA -0.167 4.473 4.640 0.000 0.000 0.196 111 D C 2.314 178.642 176.300 0.048 0.000 0.992 111 D CA 2.068 56.220 54.000 0.253 0.000 0.833 111 D CB -0.823 40.174 40.800 0.328 0.000 0.954 111 D HN 0.294 nan 8.370 nan 0.000 0.455 112 T N 1.158 115.745 114.554 0.054 0.000 2.746 112 T HA -0.138 4.212 4.350 0.000 0.000 0.267 112 T C 1.930 176.594 174.700 -0.060 0.000 1.039 112 T CA 0.726 62.830 62.100 0.007 0.000 1.142 112 T CB -0.353 68.534 68.868 0.031 0.000 0.866 112 T HN 0.066 nan 8.240 nan 0.000 0.444 113 L N 1.470 122.631 121.223 -0.103 0.000 2.017 113 L HA -0.025 4.315 4.340 0.000 0.000 0.208 113 L C 2.390 179.109 176.870 -0.252 0.000 1.073 113 L CA 1.579 56.325 54.840 -0.158 0.000 0.745 113 L CB -0.836 41.116 42.059 -0.179 0.000 0.894 113 L HN 0.069 nan 8.230 nan 0.000 0.432 114 V N 0.354 120.035 119.914 -0.388 0.000 2.343 114 V HA -0.299 3.821 4.120 0.000 0.000 0.247 114 V C 2.286 178.079 176.094 -0.501 0.000 1.051 114 V CA 2.267 64.258 62.300 -0.514 0.000 1.036 114 V CB -1.006 30.481 31.823 -0.561 0.000 0.654 114 V HN 0.567 nan 8.190 nan 0.000 0.451 115 N N 0.032 118.587 118.700 -0.242 0.000 2.120 115 N HA -0.184 4.556 4.740 0.000 0.000 0.188 115 N C 1.477 176.948 175.510 -0.064 0.000 1.024 115 N CA 1.518 54.509 53.050 -0.098 0.000 0.852 115 N CB -0.153 38.326 38.487 -0.013 0.000 1.003 115 N HN 0.460 nan 8.380 nan 0.000 0.424 116 D N 0.400 120.754 120.400 -0.077 0.000 2.149 116 D HA -0.021 4.620 4.640 0.000 0.000 0.201 116 D C 1.883 178.157 176.300 -0.043 0.000 0.972 116 D CA 0.678 54.654 54.000 -0.041 0.000 0.835 116 D CB -0.323 40.456 40.800 -0.035 0.000 0.966 116 D HN 0.256 nan 8.370 nan 0.000 0.476 117 A N 0.335 123.094 122.820 -0.101 0.000 1.877 117 A HA -0.232 4.088 4.320 0.000 0.000 0.216 117 A C 1.858 179.462 177.584 0.033 0.000 1.186 117 A CA 1.602 53.599 52.037 -0.067 0.000 0.620 117 A CB -1.085 17.836 19.000 -0.131 0.000 0.822 117 A HN 0.400 nan 8.150 nan 0.000 0.443 118 H N -0.878 118.180 119.070 -0.020 0.000 2.387 118 H HA -0.143 4.413 4.556 0.000 0.000 0.299 118 H C 2.329 177.651 175.328 -0.010 0.000 1.099 118 H CA 1.297 57.338 56.048 -0.011 0.000 1.315 118 H CB 0.002 29.761 29.762 -0.005 0.000 1.380 118 H HN 0.610 nan 8.280 nan 0.000 0.513 119 Q N 0.320 120.190 119.800 0.116 0.000 2.226 119 Q HA -0.101 4.239 4.340 0.000 0.000 0.204 119 Q C 1.200 177.222 176.000 0.037 0.000 0.975 119 Q CA 0.764 56.602 55.803 0.058 0.000 0.866 119 Q CB 0.142 28.901 28.738 0.035 0.000 0.915 119 Q HN 0.508 nan 8.270 nan 0.000 0.440 120 N N -0.516 118.204 118.700 0.033 0.000 2.314 120 N HA 0.036 4.777 4.740 0.000 0.000 0.200 120 N C 0.361 175.880 175.510 0.015 0.000 1.135 120 N CA 0.760 53.819 53.050 0.015 0.000 0.835 120 N CB 1.061 39.550 38.487 0.004 0.000 0.989 120 N HN 0.329 nan 8.380 nan 0.000 0.478 121 G N 1.388 110.206 108.800 0.031 0.000 2.198 121 G HA2 -0.267 3.693 3.960 0.000 0.000 0.260 121 G HA3 -0.267 3.693 3.960 0.000 0.000 0.260 121 G C -0.084 174.831 174.900 0.025 0.000 1.025 121 G CA -0.017 45.094 45.100 0.018 0.000 0.769 121 G HN 0.339 nan 8.290 nan 0.000 0.507 122 I N -0.076 120.531 120.570 0.062 0.000 2.436 122 I HA 0.383 4.553 4.170 0.000 0.000 0.289 122 I C 0.485 176.689 176.117 0.144 0.000 1.010 122 I CA -0.898 60.438 61.300 0.060 0.000 1.098 122 I CB 1.701 39.714 38.000 0.022 0.000 1.266 122 I HN -0.055 nan 8.210 nan 0.000 0.434 123 K N 4.309 124.784 120.400 0.125 0.000 2.090 123 K HA 0.697 5.017 4.320 0.000 0.000 0.249 123 K C -1.042 175.641 176.600 0.139 0.000 0.995 123 K CA -0.746 55.654 56.287 0.188 0.000 0.914 123 K CB 2.039 34.611 32.500 0.120 0.000 1.057 123 K HN 0.248 nan 8.250 nan 0.000 0.462 124 V N 3.409 123.419 119.914 0.159 0.000 2.483 124 V HA 0.354 4.474 4.120 0.000 0.000 0.297 124 V C -0.302 175.896 176.094 0.173 0.000 1.027 124 V CA -0.854 61.513 62.300 0.112 0.000 0.855 124 V CB 1.169 32.985 31.823 -0.012 0.000 0.995 124 V HN 0.631 nan 8.190 nan 0.000 0.424 125 I N 2.950 123.639 120.570 0.198 0.000 2.460 125 I HA 0.864 5.034 4.170 0.000 0.000 0.298 125 I C -0.782 175.471 176.117 0.227 0.000 0.989 125 I CA -0.836 60.585 61.300 0.201 0.000 1.173 125 I CB 2.072 40.179 38.000 0.177 0.000 1.338 125 I HN 0.251 nan 8.210 nan 0.000 0.456 126 V N 3.687 123.727 119.914 0.211 0.000 2.513 126 V HA 0.270 4.390 4.120 0.000 0.000 0.299 126 V C -0.238 175.984 176.094 0.214 0.000 1.035 126 V CA -0.470 61.980 62.300 0.251 0.000 0.889 126 V CB 1.564 33.553 31.823 0.277 0.000 0.988 126 V HN 0.754 nan 8.190 nan 0.000 0.440 127 D N 3.041 123.600 120.400 0.266 0.000 2.371 127 D HA 0.185 4.825 4.640 0.000 0.000 0.256 127 D C -1.081 175.374 176.300 0.258 0.000 1.193 127 D CA 0.180 54.336 54.000 0.259 0.000 0.881 127 D CB 0.703 41.730 40.800 0.378 0.000 1.143 127 D HN 0.308 nan 8.370 nan 0.000 0.473 128 F N 3.765 123.777 119.950 0.103 0.000 2.507 128 F HA 0.367 4.894 4.527 0.000 0.000 0.325 128 F C -0.717 175.175 175.800 0.152 0.000 1.116 128 F CA -0.927 57.138 58.000 0.108 0.000 0.930 128 F CB 1.552 40.608 39.000 0.094 0.000 1.146 128 F HN 0.041 nan 8.300 nan 0.000 0.447 129 V N 8.379 128.047 119.914 -0.409 0.000 2.260 129 V HA 0.251 4.371 4.120 0.000 0.000 0.263 129 V C -1.899 174.008 176.094 -0.311 0.000 1.036 129 V CA -0.862 61.311 62.300 -0.213 0.000 0.874 129 V CB 0.594 32.356 31.823 -0.101 0.000 1.116 129 V HN 0.670 nan 8.190 nan 0.000 0.454 130 P HA -0.009 nan 4.420 nan 0.000 0.241 130 P C 1.096 178.093 177.300 -0.506 0.000 1.191 130 P CA 0.681 63.443 63.100 -0.563 0.000 0.771 130 P CB 0.454 31.814 31.700 -0.568 0.000 0.929 131 N N 0.562 119.039 118.700 -0.372 0.000 2.270 131 N HA -0.103 4.637 4.740 0.000 0.000 0.181 131 N C 0.686 176.158 175.510 -0.063 0.000 1.016 131 N CA 0.645 53.607 53.050 -0.146 0.000 0.870 131 N CB -0.031 38.556 38.487 0.166 0.000 0.979 131 N HN 0.310 nan 8.380 nan 0.000 0.431 132 H N -4.161 114.959 119.070 0.084 0.000 2.981 132 H HA 0.327 4.884 4.556 0.000 0.000 0.327 132 H C -0.166 175.322 175.328 0.268 0.000 1.342 132 H CA -0.324 55.816 56.048 0.154 0.000 1.123 132 H CB 0.689 30.534 29.762 0.138 0.000 1.851 132 H HN 0.035 nan 8.280 nan 0.000 0.531 133 S N 1.112 117.097 115.700 0.475 0.000 2.970 133 S HA 0.312 4.782 4.470 0.000 0.000 0.165 133 S C 0.619 175.438 174.600 0.366 0.000 0.813 133 S CA 0.731 59.187 58.200 0.427 0.000 1.195 133 S CB -0.212 63.251 63.200 0.438 0.000 0.633 133 S HN 1.003 nan 8.310 nan 0.000 0.543 134 T N -1.109 113.579 114.554 0.224 0.000 2.888 134 T HA 0.706 5.056 4.350 0.000 0.000 0.288 134 T C -3.347 171.310 174.700 -0.072 0.000 1.063 134 T CA -2.292 59.841 62.100 0.055 0.000 1.010 134 T CB 0.937 69.853 68.868 0.079 0.000 1.214 134 T HN 0.165 nan 8.240 nan 0.000 0.533 135 P HA 0.354 nan 4.420 nan 0.000 0.265 135 P C -0.963 176.372 177.300 0.059 0.000 1.193 135 P CA -0.035 62.826 63.100 -0.398 0.000 0.765 135 P CB -0.080 30.898 31.700 -1.203 0.000 0.823 136 F N 0.444 120.401 119.950 0.011 0.000 2.686 136 F HA 0.705 5.232 4.527 0.000 0.000 0.311 136 F C -1.468 174.377 175.800 0.074 0.000 1.128 136 F CA -1.300 56.788 58.000 0.146 0.000 0.946 136 F CB 1.374 40.380 39.000 0.009 0.000 1.336 136 F HN -0.133 nan 8.300 nan 0.000 0.457 137 K N 1.794 122.198 120.400 0.006 0.000 2.323 137 K HA 0.630 4.950 4.320 0.000 0.000 0.259 137 K C 0.461 177.162 176.600 0.169 0.000 0.947 137 K CA -0.206 55.954 56.287 -0.212 0.000 0.819 137 K CB 1.719 34.097 32.500 -0.204 0.000 1.109 137 K HN 0.904 nan 8.250 nan 0.000 0.429 138 A N 2.791 125.618 122.820 0.011 0.000 1.972 138 A HA -0.202 4.118 4.320 0.000 0.000 0.219 138 A C 1.384 179.214 177.584 0.411 0.000 1.169 138 A CA 1.914 54.142 52.037 0.319 0.000 0.635 138 A CB -0.402 18.710 19.000 0.186 0.000 0.810 138 A HN 0.788 nan 8.150 nan 0.000 0.446 139 N N -0.889 117.950 118.700 0.231 0.000 2.398 139 N HA 0.004 4.744 4.740 0.000 0.000 0.188 139 N C -0.801 174.812 175.510 0.173 0.000 1.122 139 N CA 0.761 53.928 53.050 0.195 0.000 0.866 139 N CB 0.110 38.651 38.487 0.089 0.000 0.970 139 N HN 0.268 nan 8.380 nan 0.000 0.462 140 D N -0.072 120.451 120.400 0.205 0.000 2.375 140 D HA 0.107 4.747 4.640 0.000 0.000 0.241 140 D C 0.291 176.593 176.300 0.003 0.000 1.361 140 D CA -0.364 53.683 54.000 0.078 0.000 0.995 140 D CB 1.300 42.145 40.800 0.075 0.000 1.312 140 D HN 0.056 nan 8.370 nan 0.000 0.576 141 S N 1.189 116.638 115.700 -0.419 0.000 2.515 141 S HA -0.129 4.341 4.470 0.000 0.000 0.231 141 S C 1.645 176.095 174.600 -0.250 0.000 0.987 141 S CA 1.279 58.988 58.200 -0.818 0.000 0.936 141 S CB -0.403 61.956 63.200 -1.401 0.000 0.766 141 S HN 0.494 nan 8.310 nan 0.000 0.528 142 T N -1.658 112.836 114.554 -0.099 0.000 3.088 142 T HA 0.196 4.546 4.350 0.000 0.000 0.259 142 T C 0.245 174.971 174.700 0.043 0.000 1.122 142 T CA -0.442 61.642 62.100 -0.026 0.000 1.095 142 T CB -0.774 68.088 68.868 -0.010 0.000 0.930 142 T HN 0.341 nan 8.240 nan 0.000 0.508 143 F N 3.206 123.140 119.950 -0.026 0.000 2.504 143 F HA 0.489 5.016 4.527 0.000 0.000 0.369 143 F C 1.110 176.900 175.800 -0.018 0.000 1.082 143 F CA -0.273 57.719 58.000 -0.015 0.000 1.216 143 F CB -0.112 38.886 39.000 -0.004 0.000 1.108 143 F HN 0.575 nan 8.300 nan 0.000 0.554 144 A N 4.773 127.107 122.820 -0.809 0.000 5.483 144 A HA -0.358 3.962 4.320 0.000 0.000 0.309 144 A C 1.070 178.541 177.584 -0.188 0.000 1.898 144 A CA 1.486 53.182 52.037 -0.568 0.000 0.716 144 A CB -1.483 17.104 19.000 -0.690 0.000 1.309 144 A HN 0.821 nan 8.150 nan 0.000 0.380 145 E N 0.459 120.619 120.200 -0.067 0.000 2.499 145 E HA 0.412 4.763 4.350 0.000 0.000 0.199 145 E C 0.996 177.676 176.600 0.134 0.000 1.016 145 E CA 0.601 57.034 56.400 0.055 0.000 0.933 145 E CB 0.133 29.904 29.700 0.118 0.000 1.050 145 E HN 2.104 nan 8.360 nan 0.000 0.462 146 G N 0.937 109.845 108.800 0.180 0.000 2.203 146 G HA2 -0.329 3.631 3.960 0.000 0.000 0.263 146 G HA3 -0.329 3.631 3.960 0.000 0.000 0.263 146 G C 0.909 175.959 174.900 0.251 0.000 1.012 146 G CA 0.303 45.623 45.100 0.368 0.000 0.749 146 G HN 0.682 nan 8.290 nan 0.000 0.512 147 G N -1.773 107.104 108.800 0.130 0.000 2.143 147 G HA2 0.190 4.150 3.960 0.000 0.000 0.249 147 G HA3 0.190 4.150 3.960 0.000 0.000 0.249 147 G C 0.863 175.807 174.900 0.072 0.000 0.981 147 G CA 1.028 46.111 45.100 -0.028 0.000 0.665 147 G HN 2.330 nan 8.290 nan 0.000 0.528 148 A N -0.532 122.401 122.820 0.190 0.000 2.565 148 A HA 0.526 4.846 4.320 0.000 0.000 0.237 148 A C 0.193 177.935 177.584 0.263 0.000 1.053 148 A CA 0.987 53.179 52.037 0.258 0.000 0.755 148 A CB 0.551 19.789 19.000 0.398 0.000 0.980 148 A HN 1.598 nan 8.150 nan 0.000 0.506 149 L N 3.035 124.309 121.223 0.085 0.000 2.362 149 L HA 0.737 5.077 4.340 0.000 0.000 0.275 149 L C -1.312 175.437 176.870 -0.201 0.000 0.998 149 L CA -0.266 54.622 54.840 0.080 0.000 0.820 149 L CB 1.347 43.412 42.059 0.010 0.000 1.270 149 L HN 0.642 nan 8.230 nan 0.000 0.415 150 Y N 2.426 122.780 120.300 0.089 0.000 2.562 150 Y HA 0.493 5.043 4.550 0.000 0.000 0.343 150 Y C -0.006 175.976 175.900 0.136 0.000 1.025 150 Y CA -0.791 57.367 58.100 0.097 0.000 1.082 150 Y CB 1.578 40.134 38.460 0.161 0.000 1.264 150 Y HN 0.610 nan 8.280 nan 0.000 0.478 151 N N 2.358 121.221 118.700 0.272 0.000 2.706 151 N HA 0.151 4.891 4.740 0.000 0.000 0.240 151 N C -0.778 174.894 175.510 0.271 0.000 1.039 151 N CA -0.301 52.945 53.050 0.326 0.000 0.888 151 N CB -0.163 38.437 38.487 0.188 0.000 1.128 151 N HN 0.658 nan 8.380 nan 0.000 0.512 152 N N 3.130 121.992 118.700 0.271 0.000 2.725 152 N HA -0.207 4.533 4.740 0.000 0.000 0.251 152 N C 0.817 176.431 175.510 0.173 0.000 1.031 152 N CA 1.778 54.946 53.050 0.197 0.000 0.720 152 N CB -1.242 37.341 38.487 0.160 0.000 0.930 152 N HN 0.958 nan 8.380 nan 0.000 0.543 153 G N -2.402 106.518 108.800 0.199 0.000 2.241 153 G HA2 -0.275 3.685 3.960 0.000 0.000 0.244 153 G HA3 -0.275 3.685 3.960 0.000 0.000 0.244 153 G C 0.273 175.365 174.900 0.320 0.000 0.998 153 G CA 0.478 45.681 45.100 0.172 0.000 0.621 153 G HN 0.712 nan 8.290 nan 0.000 0.519 154 T N 1.468 116.203 114.554 0.302 0.000 2.749 154 T HA 0.445 4.796 4.350 0.000 0.000 0.295 154 T C -0.119 174.754 174.700 0.288 0.000 0.936 154 T CA -0.273 61.989 62.100 0.270 0.000 1.060 154 T CB 1.109 70.072 68.868 0.159 0.000 0.904 154 T HN 0.356 nan 8.240 nan 0.000 0.500 155 Y N 3.945 124.313 120.300 0.113 0.000 2.620 155 Y HA 0.076 4.626 4.550 0.000 0.000 0.330 155 Y C 1.042 176.853 175.900 -0.149 0.000 1.186 155 Y CA 0.061 58.019 58.100 -0.238 0.000 1.467 155 Y CB 0.357 38.699 38.460 -0.197 0.000 1.262 155 Y HN 0.700 nan 8.280 nan 0.000 0.550 156 M N 3.615 122.774 119.600 -0.734 0.000 2.718 156 M HA 0.344 4.824 4.480 0.000 0.000 0.259 156 M C 0.790 176.721 176.300 -0.614 0.000 1.240 156 M CA 0.947 55.949 55.300 -0.497 0.000 1.210 156 M CB 0.551 32.865 32.600 -0.478 0.000 1.281 156 M HN 0.800 nan 8.290 nan 0.000 0.515 157 G N 0.593 108.767 108.800 -1.043 0.000 2.321 157 G HA2 0.277 4.237 3.960 0.000 0.000 0.298 157 G HA3 0.277 4.237 3.960 0.000 0.000 0.298 157 G C -2.111 172.710 174.900 -0.132 0.000 1.385 157 G CA -0.713 44.035 45.100 -0.588 0.000 0.856 157 G HN 0.366 nan 8.290 nan 0.000 0.584 158 N N -2.279 116.504 118.700 0.137 0.000 3.283 158 N HA 0.422 5.162 4.740 0.000 0.000 0.338 158 N C 0.589 175.982 175.510 -0.196 0.000 1.517 158 N CA -0.948 52.152 53.050 0.085 0.000 0.733 158 N CB 0.376 39.008 38.487 0.242 0.000 1.797 158 N HN 0.528 nan 8.380 nan 0.000 0.637 159 Y N -0.748 119.176 120.300 -0.627 0.000 2.497 159 Y HA 0.181 4.732 4.550 0.000 0.000 0.292 159 Y C 0.703 176.224 175.900 -0.632 0.000 1.137 159 Y CA 1.243 58.774 58.100 -0.948 0.000 1.285 159 Y CB -0.129 37.434 38.460 -1.493 0.000 0.991 159 Y HN 0.461 nan 8.280 nan 0.000 0.556 160 F N -0.488 119.399 119.950 -0.104 0.000 2.678 160 F HA 0.100 4.627 4.527 0.000 0.000 0.291 160 F C 1.008 176.766 175.800 -0.071 0.000 1.123 160 F CA 0.381 58.345 58.000 -0.060 0.000 1.395 160 F CB 0.051 39.075 39.000 0.039 0.000 1.121 160 F HN 0.075 nan 8.300 nan 0.000 0.592 161 D N -1.735 118.727 120.400 0.103 0.000 2.755 161 D HA 0.049 4.690 4.640 0.000 0.000 0.257 161 D C 0.358 176.626 176.300 -0.053 0.000 1.291 161 D CA 0.090 54.116 54.000 0.044 0.000 0.836 161 D CB -0.335 40.533 40.800 0.114 0.000 1.059 161 D HN 0.038 nan 8.370 nan 0.000 0.486 162 D N -0.129 120.202 120.400 -0.115 0.000 2.349 162 D HA 0.233 4.873 4.640 0.000 0.000 0.214 162 D C 2.042 178.204 176.300 -0.230 0.000 1.063 162 D CA 0.446 54.356 54.000 -0.150 0.000 0.847 162 D CB 0.355 41.172 40.800 0.029 0.000 0.933 162 D HN 0.178 nan 8.370 nan 0.000 0.513 163 A N -0.120 122.560 122.820 -0.234 0.000 1.903 163 A HA -0.223 4.097 4.320 0.000 0.000 0.219 163 A C 2.177 179.649 177.584 -0.186 0.000 1.191 163 A CA 2.517 54.420 52.037 -0.223 0.000 0.638 163 A CB -1.117 17.784 19.000 -0.166 0.000 0.823 163 A HN 0.392 nan 8.150 nan 0.000 0.451 164 T N -4.201 110.248 114.554 -0.175 0.000 3.122 164 T HA 0.333 4.683 4.350 0.000 0.000 0.250 164 T C 1.182 175.749 174.700 -0.221 0.000 1.067 164 T CA 0.642 62.646 62.100 -0.161 0.000 0.966 164 T CB 0.250 69.045 68.868 -0.122 0.000 1.002 164 T HN 0.535 nan 8.240 nan 0.000 0.542 165 K N 0.490 120.691 120.400 -0.333 0.000 2.325 165 K HA 0.430 4.750 4.320 0.000 0.000 0.203 165 K C 1.387 177.712 176.600 -0.459 0.000 1.128 165 K CA 0.344 56.285 56.287 -0.576 0.000 0.931 165 K CB 0.210 32.019 32.500 -1.151 0.000 1.125 165 K HN 0.293 nan 8.250 nan 0.000 0.487 166 G N 1.737 110.352 108.800 -0.308 0.000 2.246 166 G HA2 -0.246 3.714 3.960 0.000 0.000 0.273 166 G HA3 -0.246 3.714 3.960 0.000 0.000 0.273 166 G C 0.167 175.028 174.900 -0.064 0.000 1.055 166 G CA 0.336 45.374 45.100 -0.104 0.000 0.851 166 G HN 0.185 nan 8.290 nan 0.000 0.500 167 Y N -1.168 119.006 120.300 -0.211 0.000 2.457 167 Y HA 0.372 4.922 4.550 0.000 0.000 0.292 167 Y C 1.472 176.899 175.900 -0.787 0.000 1.125 167 Y CA -0.198 57.584 58.100 -0.531 0.000 1.254 167 Y CB -0.152 37.878 38.460 -0.717 0.000 1.012 167 Y HN 0.357 nan 8.280 nan 0.000 0.555 168 F N -1.737 118.165 119.950 -0.081 0.000 2.556 168 F HA 0.409 4.936 4.527 0.000 0.000 0.327 168 F C 0.175 175.808 175.800 -0.279 0.000 1.059 168 F CA -1.612 56.228 58.000 -0.266 0.000 0.953 168 F CB 0.869 39.668 39.000 -0.335 0.000 1.227 168 F HN -0.202 nan 8.300 nan 0.000 0.478 169 H N 0.769 119.854 119.070 0.024 0.000 2.629 169 H HA 0.254 4.810 4.556 0.000 0.000 0.357 169 H C -0.480 174.762 175.328 -0.143 0.000 1.121 169 H CA -0.266 55.810 56.048 0.047 0.000 1.406 169 H CB 0.621 30.448 29.762 0.108 0.000 1.456 169 H HN 0.497 nan 8.280 nan 0.000 0.579 170 H N 2.386 121.634 119.070 0.297 0.000 2.471 170 H HA 0.126 4.682 4.556 0.000 0.000 0.234 170 H C -0.098 175.355 175.328 0.210 0.000 1.388 170 H CA -0.226 55.964 56.048 0.235 0.000 1.198 170 H CB 0.276 30.052 29.762 0.023 0.000 1.714 170 H HN 0.666 nan 8.280 nan 0.000 0.536 171 N N 0.893 119.752 118.700 0.265 0.000 2.187 171 N HA 0.143 4.884 4.740 0.000 0.000 0.212 171 N C 1.059 176.656 175.510 0.145 0.000 1.152 171 N CA 0.542 53.711 53.050 0.197 0.000 0.872 171 N CB 2.078 40.676 38.487 0.185 0.000 1.025 171 N HN 0.653 nan 8.380 nan 0.000 0.514 172 G N 0.911 109.799 108.800 0.147 0.000 2.757 172 G HA2 -0.202 3.758 3.960 0.000 0.000 0.638 172 G HA3 -0.202 3.758 3.960 0.000 0.000 0.638 172 G C -1.362 173.550 174.900 0.020 0.000 1.344 172 G CA -0.821 44.327 45.100 0.081 0.000 0.855 172 G HN 0.111 nan 8.290 nan 0.000 0.537 173 D N -0.239 120.140 120.400 -0.036 0.000 2.304 173 D HA 0.466 5.106 4.640 0.000 0.000 0.247 173 D C 1.292 177.496 176.300 -0.161 0.000 1.089 173 D CA -0.135 53.801 54.000 -0.106 0.000 0.910 173 D CB 0.914 41.644 40.800 -0.118 0.000 1.199 173 D HN 0.538 nan 8.370 nan 0.000 0.426 174 I N 1.260 121.648 120.570 -0.303 0.000 2.775 174 I HA -0.123 4.047 4.170 0.000 0.000 0.290 174 I C 1.530 177.451 176.117 -0.326 0.000 1.203 174 I CA 0.545 61.566 61.300 -0.466 0.000 1.433 174 I CB 0.741 38.104 38.000 -1.061 0.000 1.354 174 I HN 0.278 nan 8.210 nan 0.000 0.579 175 S N 4.430 120.002 115.700 -0.213 0.000 2.748 175 S HA 0.069 4.539 4.470 0.000 0.000 0.241 175 S C 0.689 175.292 174.600 0.005 0.000 1.064 175 S CA -0.045 58.114 58.200 -0.067 0.000 0.892 175 S CB 0.211 63.391 63.200 -0.033 0.000 0.810 175 S HN 0.714 nan 8.310 nan 0.000 0.555 176 N N 0.676 119.360 118.700 -0.028 0.000 2.527 176 N HA 0.215 4.955 4.740 0.000 0.000 0.236 176 N C -0.502 175.027 175.510 0.032 0.000 0.999 176 N CA -0.472 52.610 53.050 0.053 0.000 0.935 176 N CB 0.275 38.784 38.487 0.037 0.000 1.132 176 N HN 0.410 nan 8.380 nan 0.000 0.511 177 W N 1.463 122.733 121.300 -0.050 0.000 2.611 177 W HA 0.043 4.703 4.660 0.000 0.000 0.251 177 W C 0.888 177.393 176.519 -0.023 0.000 1.265 177 W CA 0.116 57.431 57.345 -0.050 0.000 1.295 177 W CB 0.363 29.767 29.460 -0.095 0.000 1.129 177 W HN 0.504 nan 8.180 nan 0.000 0.630 178 D N -0.995 119.509 120.400 0.173 0.000 2.360 178 D HA -0.041 4.599 4.640 0.000 0.000 0.210 178 D C -0.310 176.039 176.300 0.081 0.000 1.047 178 D CA 0.566 54.639 54.000 0.121 0.000 0.854 178 D CB -0.143 40.723 40.800 0.109 0.000 0.936 178 D HN 0.142 nan 8.370 nan 0.000 0.514 179 D N 0.635 121.070 120.400 0.058 0.000 2.317 179 D HA 0.046 4.686 4.640 0.000 0.000 0.252 179 D C 1.454 177.788 176.300 0.056 0.000 1.174 179 D CA -0.323 53.709 54.000 0.053 0.000 0.866 179 D CB 0.827 41.657 40.800 0.049 0.000 1.127 179 D HN -0.348 nan 8.370 nan 0.000 0.467 180 R N 3.042 123.586 120.500 0.073 0.000 2.096 180 R HA -0.182 4.158 4.340 0.000 0.000 0.235 180 R C 1.565 177.962 176.300 0.161 0.000 1.127 180 R CA 1.021 57.168 56.100 0.079 0.000 0.968 180 R CB -1.007 29.329 30.300 0.060 0.000 0.861 180 R HN 0.689 nan 8.270 nan 0.000 0.440 181 Y N 2.251 122.612 120.300 0.102 0.000 2.145 181 Y HA -0.166 4.384 4.550 0.000 0.000 0.286 181 Y C 2.017 178.055 175.900 0.230 0.000 1.145 181 Y CA 1.619 59.844 58.100 0.209 0.000 1.148 181 Y CB -0.087 38.411 38.460 0.063 0.000 0.981 181 Y HN 0.102 nan 8.280 nan 0.000 0.507 182 E N 0.040 120.241 120.200 0.001 0.000 2.077 182 E HA -0.216 4.135 4.350 0.000 0.000 0.193 182 E C 2.360 178.849 176.600 -0.184 0.000 0.989 182 E CA 1.017 57.337 56.400 -0.134 0.000 0.800 182 E CB -0.387 29.262 29.700 -0.085 0.000 0.746 182 E HN 0.571 nan 8.360 nan 0.000 0.452 183 A N 1.013 123.760 122.820 -0.122 0.000 1.978 183 A HA -0.249 4.071 4.320 0.000 0.000 0.220 183 A C 1.958 179.541 177.584 -0.002 0.000 1.170 183 A CA 1.530 53.512 52.037 -0.093 0.000 0.636 183 A CB -0.243 18.695 19.000 -0.103 0.000 0.810 183 A HN 0.204 nan 8.150 nan 0.000 0.448 184 Q N -2.663 117.098 119.800 -0.065 0.000 2.390 184 Q HA 0.041 4.381 4.340 0.000 0.000 0.216 184 Q C 1.610 177.384 176.000 -0.376 0.000 0.916 184 Q CA 0.337 56.027 55.803 -0.189 0.000 0.911 184 Q CB 0.098 28.693 28.738 -0.238 0.000 1.035 184 Q HN 0.876 nan 8.270 nan 0.000 0.541 185 W N 1.187 122.251 121.300 -0.393 0.000 3.177 185 W HA 0.251 4.911 4.660 0.000 0.000 0.309 185 W C 0.331 176.647 176.519 -0.338 0.000 1.224 185 W CA -0.006 57.005 57.345 -0.557 0.000 1.718 185 W CB 0.756 29.684 29.460 -0.886 0.000 1.078 185 W HN -0.037 nan 8.180 nan 0.000 0.618 186 K N 1.053 121.378 120.400 -0.125 0.000 2.168 186 K HA 0.200 4.520 4.320 0.000 0.000 0.239 186 K C 0.109 176.669 176.600 -0.067 0.000 0.999 186 K CA -0.767 55.475 56.287 -0.074 0.000 0.900 186 K CB 0.700 33.125 32.500 -0.124 0.000 1.111 186 K HN -0.336 nan 8.250 nan 0.000 0.452 187 N N 1.262 119.937 118.700 -0.043 0.000 2.520 187 N HA 0.060 4.800 4.740 0.000 0.000 0.273 187 N C -0.528 174.907 175.510 -0.124 0.000 1.155 187 N CA -0.065 52.983 53.050 -0.003 0.000 0.967 187 N CB 0.219 38.739 38.487 0.055 0.000 1.092 187 N HN 0.365 nan 8.380 nan 0.000 0.457 188 F N 1.790 121.616 119.950 -0.208 0.000 2.578 188 F HA 0.034 4.561 4.527 0.000 0.000 0.376 188 F C 1.074 176.803 175.800 -0.119 0.000 1.085 188 F CA -0.011 57.843 58.000 -0.244 0.000 1.260 188 F CB 0.344 39.221 39.000 -0.205 0.000 1.095 188 F HN 0.413 nan 8.300 nan 0.000 0.573 189 T N 2.270 116.846 114.554 0.036 0.000 2.932 189 T HA 0.393 4.743 4.350 0.000 0.000 0.289 189 T C -1.137 173.612 174.700 0.082 0.000 1.039 189 T CA -1.045 61.083 62.100 0.048 0.000 1.024 189 T CB 1.895 70.749 68.868 -0.023 0.000 1.090 189 T HN 0.541 nan 8.240 nan 0.000 0.496 190 D N 0.954 121.259 120.400 -0.158 0.000 2.498 190 D HA 0.391 5.032 4.640 0.000 0.000 0.247 190 D C -1.902 174.180 176.300 -0.363 0.000 1.070 190 D CA -2.400 51.437 54.000 -0.272 0.000 0.842 190 D CB 2.422 42.873 40.800 -0.582 0.000 1.361 190 D HN 0.181 nan 8.370 nan 0.000 0.484 191 P HA -0.013 nan 4.420 nan 0.000 0.223 191 P C 0.889 178.071 177.300 -0.197 0.000 1.144 191 P CA 0.638 63.625 63.100 -0.187 0.000 0.783 191 P CB 0.171 31.792 31.700 -0.131 0.000 0.771 192 A N -0.385 122.271 122.820 -0.273 0.000 2.125 192 A HA 0.245 4.565 4.320 0.000 0.000 0.219 192 A C 1.690 179.147 177.584 -0.212 0.000 1.156 192 A CA 1.365 53.290 52.037 -0.187 0.000 0.671 192 A CB -1.201 17.754 19.000 -0.076 0.000 0.794 192 A HN 0.292 nan 8.150 nan 0.000 0.459 193 G N -2.238 106.340 108.800 -0.370 0.000 2.155 193 G HA2 0.003 3.963 3.960 0.000 0.000 0.135 193 G HA3 0.003 3.963 3.960 0.000 0.000 0.135 193 G C -0.129 174.605 174.900 -0.277 0.000 1.023 193 G CA -0.110 44.834 45.100 -0.260 0.000 0.688 193 G HN 1.213 nan 8.290 nan 0.000 0.499 194 F N -0.597 119.214 119.950 -0.230 0.000 2.675 194 F HA 0.932 5.460 4.527 0.000 0.000 0.324 194 F C 0.010 175.620 175.800 -0.316 0.000 1.106 194 F CA -1.464 56.320 58.000 -0.359 0.000 0.970 194 F CB 0.933 39.745 39.000 -0.314 0.000 1.385 194 F HN 0.056 nan 8.300 nan 0.000 0.489 195 S N 0.562 116.145 115.700 -0.195 0.000 2.689 195 S HA 0.768 5.238 4.470 0.000 0.000 0.306 195 S C -0.983 173.596 174.600 -0.035 0.000 1.104 195 S CA -0.886 57.179 58.200 -0.225 0.000 0.973 195 S CB 1.722 64.606 63.200 -0.527 0.000 1.121 195 S HN 0.581 nan 8.310 nan 0.000 0.523 196 L N 1.682 122.962 121.223 0.095 0.000 2.296 196 L HA 0.591 4.931 4.340 0.000 0.000 0.286 196 L C 0.286 177.336 176.870 0.300 0.000 1.023 196 L CA -0.994 53.914 54.840 0.114 0.000 0.812 196 L CB 1.184 43.111 42.059 -0.220 0.000 1.223 196 L HN 0.758 nan 8.230 nan 0.000 0.421 197 A N 1.955 124.940 122.820 0.275 0.000 2.515 197 A HA 0.044 4.364 4.320 0.000 0.000 0.263 197 A C -0.141 177.597 177.584 0.257 0.000 1.096 197 A CA -0.080 51.938 52.037 -0.032 0.000 0.769 197 A CB -0.298 18.399 19.000 -0.506 0.000 1.040 197 A HN 0.739 nan 8.150 nan 0.000 0.505 198 D N 2.795 123.334 120.400 0.231 0.000 2.336 198 D HA 0.377 5.017 4.640 0.000 0.000 0.249 198 D C 0.102 176.449 176.300 0.077 0.000 1.213 198 D CA 0.107 54.236 54.000 0.214 0.000 0.870 198 D CB 0.251 41.183 40.800 0.219 0.000 1.076 198 D HN 0.476 nan 8.370 nan 0.000 0.483 199 L N 2.402 123.592 121.223 -0.055 0.000 2.461 199 L HA 0.104 4.444 4.340 0.000 0.000 0.272 199 L C 0.790 177.262 176.870 -0.665 0.000 1.197 199 L CA -0.127 54.479 54.840 -0.390 0.000 0.836 199 L CB 0.861 42.685 42.059 -0.392 0.000 1.105 199 L HN 0.336 nan 8.230 nan 0.000 0.477 200 S N 1.202 116.468 115.700 -0.722 0.000 2.464 200 S HA 0.178 4.648 4.470 0.000 0.000 0.313 200 S C 0.587 174.925 174.600 -0.438 0.000 1.078 200 S CA -0.745 57.033 58.200 -0.703 0.000 1.096 200 S CB 0.626 63.590 63.200 -0.392 0.000 1.032 200 S HN 0.590 nan 8.310 nan 0.000 0.498 201 Q N 2.773 122.320 119.800 -0.423 0.000 2.488 201 Q HA 0.020 4.360 4.340 0.000 0.000 0.211 201 Q C 1.019 176.812 176.000 -0.345 0.000 0.967 201 Q CA 0.920 56.376 55.803 -0.579 0.000 0.926 201 Q CB 0.055 28.332 28.738 -0.769 0.000 0.992 201 Q HN 0.667 nan 8.270 nan 0.000 0.506 202 E N 0.081 120.221 120.200 -0.101 0.000 2.478 202 E HA 0.008 4.358 4.350 0.000 0.000 0.194 202 E C 0.015 176.607 176.600 -0.013 0.000 1.045 202 E CA -0.009 56.406 56.400 0.024 0.000 0.868 202 E CB 0.119 29.937 29.700 0.197 0.000 0.885 202 E HN 0.201 nan 8.360 nan 0.000 0.505 203 N N 0.544 119.195 118.700 -0.081 0.000 2.444 203 N HA 0.032 4.772 4.740 0.000 0.000 0.271 203 N C 0.993 176.448 175.510 -0.091 0.000 1.069 203 N CA 0.236 53.248 53.050 -0.063 0.000 0.965 203 N CB 1.463 39.913 38.487 -0.061 0.000 1.092 203 N HN 0.120 nan 8.380 nan 0.000 0.476 204 G N 2.568 111.342 108.800 -0.043 0.000 2.422 204 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 204 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 204 G C 1.202 176.066 174.900 -0.060 0.000 1.146 204 G CA 1.121 46.198 45.100 -0.038 0.000 0.769 204 G HN 0.646 nan 8.290 nan 0.000 0.547 205 T N 1.655 116.170 114.554 -0.064 0.000 2.674 205 T HA -0.091 4.259 4.350 0.000 0.000 0.265 205 T C 2.345 176.909 174.700 -0.226 0.000 1.039 205 T CA 0.993 63.019 62.100 -0.123 0.000 1.150 205 T CB -0.096 68.705 68.868 -0.112 0.000 0.864 205 T HN 0.078 nan 8.240 nan 0.000 0.427 206 I N 1.667 122.044 120.570 -0.321 0.000 2.252 206 I HA -0.084 4.086 4.170 0.000 0.000 0.245 206 I C 2.919 178.869 176.117 -0.278 0.000 1.102 206 I CA 0.990 62.057 61.300 -0.388 0.000 1.385 206 I CB -1.679 36.028 38.000 -0.488 0.000 1.064 206 I HN 0.182 nan 8.210 nan 0.000 0.414 207 A N 0.115 122.760 122.820 -0.292 0.000 1.908 207 A HA -0.278 4.042 4.320 0.000 0.000 0.218 207 A C 2.292 179.877 177.584 0.001 0.000 1.181 207 A CA 1.995 53.860 52.037 -0.288 0.000 0.627 207 A CB -0.641 18.224 19.000 -0.225 0.000 0.818 207 A HN 0.413 nan 8.150 nan 0.000 0.445 208 Q N -1.678 118.122 119.800 0.001 0.000 2.123 208 Q HA -0.149 4.191 4.340 0.000 0.000 0.199 208 Q C 1.796 177.817 176.000 0.035 0.000 0.966 208 Q CA 1.956 57.781 55.803 0.036 0.000 0.845 208 Q CB -0.600 28.149 28.738 0.019 0.000 0.907 208 Q HN 0.747 nan 8.270 nan 0.000 0.439 209 Y N -0.036 120.183 120.300 -0.134 0.000 2.181 209 Y HA -0.176 4.374 4.550 0.000 0.000 0.288 209 Y C 1.535 177.364 175.900 -0.118 0.000 1.146 209 Y CA 1.736 59.747 58.100 -0.149 0.000 1.164 209 Y CB -0.157 38.144 38.460 -0.265 0.000 0.982 209 Y HN 0.141 nan 8.280 nan 0.000 0.515 210 L N -0.910 120.237 121.223 -0.127 0.000 2.093 210 L HA -0.193 4.147 4.340 0.000 0.000 0.208 210 L C 2.345 179.249 176.870 0.056 0.000 1.085 210 L CA 1.644 56.409 54.840 -0.126 0.000 0.755 210 L CB -0.835 41.187 42.059 -0.060 0.000 0.904 210 L HN 0.202 nan 8.230 nan 0.000 0.435 211 T N -0.860 113.745 114.554 0.085 0.000 2.708 211 T HA -0.182 4.168 4.350 0.000 0.000 0.266 211 T C 1.439 176.094 174.700 -0.074 0.000 1.037 211 T CA 1.550 63.657 62.100 0.012 0.000 1.146 211 T CB -0.247 68.649 68.868 0.046 0.000 0.865 211 T HN 0.299 nan 8.240 nan 0.000 0.435 212 D N 1.333 121.688 120.400 -0.076 0.000 2.123 212 D HA -0.031 4.609 4.640 0.000 0.000 0.196 212 D C 2.318 178.545 176.300 -0.121 0.000 0.992 212 D CA 1.245 55.189 54.000 -0.093 0.000 0.833 212 D CB -0.476 40.276 40.800 -0.080 0.000 0.954 212 D HN 0.415 nan 8.370 nan 0.000 0.455 213 A N 0.907 123.634 122.820 -0.155 0.000 1.898 213 A HA 0.002 4.322 4.320 0.000 0.000 0.216 213 A C 2.307 179.835 177.584 -0.094 0.000 1.181 213 A CA 2.077 54.079 52.037 -0.059 0.000 0.620 213 A CB -0.644 18.382 19.000 0.043 0.000 0.819 213 A HN 0.235 nan 8.150 nan 0.000 0.442 214 A N -0.583 122.053 122.820 -0.307 0.000 1.898 214 A HA 0.021 4.341 4.320 0.000 0.000 0.216 214 A C 2.192 179.596 177.584 -0.300 0.000 1.181 214 A CA 1.692 53.348 52.037 -0.635 0.000 0.620 214 A CB -0.888 17.599 19.000 -0.854 0.000 0.819 214 A HN 0.379 nan 8.150 nan 0.000 0.442 215 V N 0.135 119.931 119.914 -0.195 0.000 2.407 215 V HA -0.306 3.814 4.120 0.000 0.000 0.248 215 V C 2.691 178.743 176.094 -0.069 0.000 1.055 215 V CA 2.253 64.485 62.300 -0.114 0.000 1.049 215 V CB -0.776 30.993 31.823 -0.090 0.000 0.662 215 V HN 0.786 nan 8.190 nan 0.000 0.455 216 Q N -0.310 119.445 119.800 -0.076 0.000 2.124 216 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 216 Q C 2.247 178.250 176.000 0.004 0.000 0.977 216 Q CA 1.715 57.479 55.803 -0.065 0.000 0.850 216 Q CB -0.141 28.507 28.738 -0.150 0.000 0.901 216 Q HN 0.611 nan 8.270 nan 0.000 0.429 217 L N -0.284 120.954 121.223 0.024 0.000 2.046 217 L HA -0.193 4.147 4.340 0.000 0.000 0.208 217 L C 2.381 179.376 176.870 0.207 0.000 1.077 217 L CA 0.868 55.785 54.840 0.128 0.000 0.747 217 L CB -0.363 41.737 42.059 0.070 0.000 0.896 217 L HN 0.140 nan 8.230 nan 0.000 0.432 218 V N -0.106 119.866 119.914 0.097 0.000 2.427 218 V HA -0.246 3.874 4.120 0.000 0.000 0.248 218 V C 2.678 178.842 176.094 0.117 0.000 1.051 218 V CA 1.633 63.998 62.300 0.108 0.000 1.048 218 V CB -0.845 30.999 31.823 0.035 0.000 0.666 218 V HN 0.478 nan 8.190 nan 0.000 0.456 219 A N -1.370 121.498 122.820 0.080 0.000 2.015 219 A HA -0.202 4.119 4.320 0.000 0.000 0.219 219 A C 1.925 179.503 177.584 -0.010 0.000 1.163 219 A CA 1.260 53.306 52.037 0.014 0.000 0.646 219 A CB -0.674 18.298 19.000 -0.047 0.000 0.806 219 A HN 0.694 nan 8.150 nan 0.000 0.448 220 H N -1.493 117.625 119.070 0.081 0.000 2.533 220 H HA 0.226 4.782 4.556 0.000 0.000 0.271 220 H C 1.580 177.097 175.328 0.315 0.000 1.000 220 H CA 0.631 56.808 56.048 0.216 0.000 1.149 220 H CB 0.237 30.199 29.762 0.333 0.000 1.375 220 H HN 0.648 nan 8.280 nan 0.000 0.582 221 G N 0.482 109.470 108.800 0.314 0.000 2.231 221 G HA2 -0.242 3.718 3.960 0.000 0.000 0.206 221 G HA3 -0.242 3.718 3.960 0.000 0.000 0.206 221 G C 0.593 175.685 174.900 0.320 0.000 0.996 221 G CA -0.101 45.175 45.100 0.295 0.000 0.645 221 G HN 0.583 nan 8.290 nan 0.000 0.498 222 A N 0.675 123.702 122.820 0.344 0.000 2.565 222 A HA 0.445 4.765 4.320 0.000 0.000 0.237 222 A C 0.971 178.697 177.584 0.238 0.000 1.053 222 A CA 1.087 53.306 52.037 0.303 0.000 0.755 222 A CB 0.176 19.375 19.000 0.332 0.000 0.980 222 A HN 0.289 nan 8.150 nan 0.000 0.506 223 D N 1.123 121.663 120.400 0.234 0.000 2.339 223 D HA 0.324 4.964 4.640 0.000 0.000 0.217 223 D C 0.819 177.236 176.300 0.196 0.000 1.050 223 D CA 1.443 55.562 54.000 0.198 0.000 0.856 223 D CB 0.347 41.263 40.800 0.194 0.000 0.922 223 D HN 0.896 nan 8.370 nan 0.000 0.518 224 G N 0.067 108.975 108.800 0.180 0.000 2.341 224 G HA2 0.308 4.268 3.960 0.000 0.000 0.293 224 G HA3 0.308 4.268 3.960 0.000 0.000 0.293 224 G C -1.984 172.982 174.900 0.111 0.000 1.298 224 G CA -0.924 44.272 45.100 0.160 0.000 0.868 224 G HN 0.051 nan 8.290 nan 0.000 0.540 225 L N -0.103 121.151 121.223 0.050 0.000 2.393 225 L HA 0.710 5.051 4.340 0.000 0.000 0.260 225 L C -0.034 176.816 176.870 -0.035 0.000 1.002 225 L CA -1.127 53.727 54.840 0.025 0.000 0.818 225 L CB 2.406 44.458 42.059 -0.013 0.000 1.369 225 L HN 0.588 nan 8.230 nan 0.000 0.412 226 R N 3.103 123.545 120.500 -0.096 0.000 2.215 226 R HA 0.492 4.832 4.340 0.000 0.000 0.336 226 R C -1.157 175.159 176.300 0.027 0.000 0.996 226 R CA -0.458 55.505 56.100 -0.228 0.000 0.847 226 R CB 0.530 30.342 30.300 -0.812 0.000 1.127 226 R HN 0.601 nan 8.270 nan 0.000 0.465 227 I N 3.750 124.389 120.570 0.116 0.000 2.337 227 I HA 0.059 4.229 4.170 0.000 0.000 0.291 227 I C 0.525 176.821 176.117 0.298 0.000 1.046 227 I CA -0.497 60.967 61.300 0.273 0.000 1.324 227 I CB 0.929 39.130 38.000 0.335 0.000 1.409 227 I HN 0.478 nan 8.210 nan 0.000 0.494 228 D N 5.618 126.216 120.400 0.331 0.000 2.382 228 D HA 0.329 4.969 4.640 0.000 0.000 0.245 228 D C 0.681 177.207 176.300 0.377 0.000 1.120 228 D CA 0.385 54.600 54.000 0.358 0.000 0.890 228 D CB 0.862 41.892 40.800 0.383 0.000 1.201 228 D HN 0.790 nan 8.370 nan 0.000 0.433 229 A N 2.451 125.477 122.820 0.344 0.000 2.560 229 A HA -0.169 4.151 4.320 0.000 0.000 0.299 229 A C 1.455 179.148 177.584 0.181 0.000 1.484 229 A CA 0.956 53.213 52.037 0.366 0.000 0.749 229 A CB -2.262 17.041 19.000 0.504 0.000 1.072 229 A HN 1.075 nan 8.150 nan 0.000 0.426 230 V N -1.222 118.651 119.914 -0.068 0.000 2.913 230 V HA -0.165 3.955 4.120 0.000 0.000 0.260 230 V C 1.982 177.505 176.094 -0.952 0.000 1.098 230 V CA 2.233 64.215 62.300 -0.530 0.000 1.121 230 V CB -0.700 30.920 31.823 -0.337 0.000 0.714 230 V HN 0.959 nan 8.190 nan 0.000 0.487 231 K N -0.968 118.766 120.400 -1.111 0.000 2.459 231 K HA -0.025 4.295 4.320 0.000 0.000 0.193 231 K C 1.426 177.405 176.600 -1.036 0.000 1.030 231 K CA 0.945 56.244 56.287 -1.647 0.000 1.026 231 K CB -0.327 30.871 32.500 -2.170 0.000 0.809 231 K HN 0.577 nan 8.250 nan 0.000 0.504 232 H N 0.242 119.085 119.070 -0.378 0.000 2.586 232 H HA 0.168 4.724 4.556 0.000 0.000 0.273 232 H C -0.415 174.887 175.328 -0.043 0.000 0.997 232 H CA -0.065 55.909 56.048 -0.123 0.000 1.177 232 H CB 0.102 29.942 29.762 0.129 0.000 1.471 232 H HN 0.272 nan 8.280 nan 0.000 0.538 233 F N -0.040 119.856 119.950 -0.090 0.000 2.599 233 F HA 0.318 4.846 4.527 0.000 0.000 0.311 233 F C -0.135 175.604 175.800 -0.102 0.000 1.076 233 F CA -2.003 55.913 58.000 -0.139 0.000 0.937 233 F CB 0.569 39.542 39.000 -0.046 0.000 1.282 233 F HN -0.160 nan 8.300 nan 0.000 0.460 234 N N 0.184 118.852 118.700 -0.053 0.000 2.345 234 N HA 0.078 4.818 4.740 0.000 0.000 0.243 234 N C 0.673 176.238 175.510 0.093 0.000 1.246 234 N CA 0.483 53.511 53.050 -0.037 0.000 0.863 234 N CB 1.026 39.420 38.487 -0.154 0.000 1.096 234 N HN 0.830 nan 8.380 nan 0.000 0.446 235 S N 0.393 116.197 115.700 0.173 0.000 2.527 235 S HA 0.069 4.539 4.470 0.000 0.000 0.222 235 S C 1.805 176.535 174.600 0.217 0.000 0.985 235 S CA 0.129 58.508 58.200 0.299 0.000 0.921 235 S CB -0.642 62.873 63.200 0.525 0.000 0.772 235 S HN 0.749 nan 8.310 nan 0.000 0.529 236 G N 1.267 110.127 108.800 0.100 0.000 2.418 236 G HA2 -0.152 3.808 3.960 0.000 0.000 0.217 236 G HA3 -0.152 3.808 3.960 0.000 0.000 0.217 236 G C 1.099 176.122 174.900 0.204 0.000 1.158 236 G CA 0.744 45.918 45.100 0.122 0.000 0.771 236 G HN 0.511 nan 8.290 nan 0.000 0.545 237 F N 2.018 122.047 119.950 0.132 0.000 2.186 237 F HA -0.011 4.516 4.527 0.000 0.000 0.299 237 F C 2.873 178.816 175.800 0.238 0.000 1.090 237 F CA 1.449 59.555 58.000 0.176 0.000 1.307 237 F CB -0.312 38.805 39.000 0.195 0.000 1.019 237 F HN 0.142 nan 8.300 nan 0.000 0.489 238 S N 0.220 116.073 115.700 0.256 0.000 2.359 238 S HA -0.275 4.195 4.470 0.000 0.000 0.224 238 S C 2.102 176.665 174.600 -0.061 0.000 1.035 238 S CA 1.748 60.038 58.200 0.151 0.000 1.018 238 S CB -0.412 62.975 63.200 0.312 0.000 0.876 238 S HN 0.425 nan 8.310 nan 0.000 0.448 239 K N 0.634 121.014 120.400 -0.033 0.000 2.057 239 K HA -0.031 4.289 4.320 0.000 0.000 0.206 239 K C 2.400 178.952 176.600 -0.079 0.000 1.050 239 K CA 1.429 57.680 56.287 -0.060 0.000 0.935 239 K CB -0.322 32.176 32.500 -0.004 0.000 0.715 239 K HN 0.245 nan 8.250 nan 0.000 0.439 240 S N 0.480 116.134 115.700 -0.076 0.000 2.383 240 S HA -0.106 4.364 4.470 0.000 0.000 0.227 240 S C 1.853 176.328 174.600 -0.207 0.000 1.026 240 S CA 0.927 59.079 58.200 -0.081 0.000 0.981 240 S CB -0.254 62.957 63.200 0.018 0.000 0.818 240 S HN 0.378 nan 8.310 nan 0.000 0.472 241 L N 1.920 122.885 121.223 -0.431 0.000 2.056 241 L HA 0.152 4.492 4.340 0.000 0.000 0.207 241 L C 2.436 179.087 176.870 -0.365 0.000 1.078 241 L CA 2.080 56.624 54.840 -0.494 0.000 0.749 241 L CB -1.191 40.400 42.059 -0.780 0.000 0.901 241 L HN 0.299 nan 8.230 nan 0.000 0.433 242 A N -0.511 122.098 122.820 -0.351 0.000 1.902 242 A HA -0.294 4.026 4.320 0.000 0.000 0.217 242 A C 2.044 179.334 177.584 -0.491 0.000 1.181 242 A CA 1.858 53.587 52.037 -0.513 0.000 0.623 242 A CB -1.115 17.665 19.000 -0.368 0.000 0.818 242 A HN 0.634 nan 8.150 nan 0.000 0.443 243 D N -0.256 120.027 120.400 -0.194 0.000 2.106 243 D HA -0.220 4.420 4.640 0.000 0.000 0.191 243 D C 1.818 178.077 176.300 -0.069 0.000 0.997 243 D CA 1.907 55.879 54.000 -0.048 0.000 0.834 243 D CB -0.048 40.745 40.800 -0.011 0.000 0.956 243 D HN 0.218 nan 8.370 nan 0.000 0.448 244 K N 0.041 120.372 120.400 -0.116 0.000 2.063 244 K HA -0.093 4.227 4.320 0.000 0.000 0.208 244 K C 2.446 178.980 176.600 -0.110 0.000 1.048 244 K CA 0.737 56.969 56.287 -0.091 0.000 0.928 244 K CB -0.761 31.678 32.500 -0.101 0.000 0.713 244 K HN 0.366 nan 8.250 nan 0.000 0.442 245 L N -0.347 120.742 121.223 -0.222 0.000 2.093 245 L HA -0.149 4.191 4.340 0.000 0.000 0.208 245 L C 2.267 179.079 176.870 -0.097 0.000 1.085 245 L CA 0.986 55.694 54.840 -0.221 0.000 0.755 245 L CB -0.487 41.355 42.059 -0.362 0.000 0.904 245 L HN 0.064 nan 8.230 nan 0.000 0.435 246 Y N 0.149 120.436 120.300 -0.022 0.000 2.439 246 Y HA -0.149 4.401 4.550 0.000 0.000 0.292 246 Y C 2.618 178.532 175.900 0.024 0.000 1.130 246 Y CA 0.388 58.493 58.100 0.008 0.000 1.254 246 Y CB -0.708 37.763 38.460 0.018 0.000 1.000 246 Y HN 0.262 nan 8.280 nan 0.000 0.554 247 Q N 0.019 119.905 119.800 0.144 0.000 2.167 247 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 247 Q C 2.174 178.219 176.000 0.075 0.000 0.970 247 Q CA 1.277 57.138 55.803 0.097 0.000 0.855 247 Q CB -0.036 28.736 28.738 0.057 0.000 0.911 247 Q HN 0.422 nan 8.270 nan 0.000 0.438 248 K N 0.550 120.983 120.400 0.056 0.000 2.044 248 K HA -0.045 4.276 4.320 0.000 0.000 0.204 248 K C 0.466 177.104 176.600 0.063 0.000 1.049 248 K CA 0.810 57.123 56.287 0.042 0.000 0.945 248 K CB 0.404 32.912 32.500 0.013 0.000 0.724 248 K HN -0.159 nan 8.250 nan 0.000 0.440 249 K N 0.395 120.850 120.400 0.092 0.000 2.597 249 K HA 0.023 4.343 4.320 0.000 0.000 0.282 249 K C -1.956 174.731 176.600 0.145 0.000 0.975 249 K CA -0.500 55.844 56.287 0.096 0.000 0.867 249 K CB 1.298 33.844 32.500 0.078 0.000 1.465 249 K HN 0.037 nan 8.250 nan 0.000 0.417 250 D N 3.884 124.345 120.400 0.101 0.000 2.801 250 D HA 0.128 4.768 4.640 0.000 0.000 0.232 250 D C 0.492 176.870 176.300 0.131 0.000 1.128 250 D CA -0.299 53.755 54.000 0.091 0.000 1.003 250 D CB -0.890 39.914 40.800 0.007 0.000 1.110 250 D HN 0.407 nan 8.370 nan 0.000 0.477 251 I N -2.561 118.143 120.570 0.223 0.000 3.156 251 I HA 0.535 4.705 4.170 0.000 0.000 0.306 251 I C -0.196 176.117 176.117 0.325 0.000 1.048 251 I CA -1.403 60.035 61.300 0.231 0.000 1.207 251 I CB 0.294 38.401 38.000 0.178 0.000 1.456 251 I HN -0.045 nan 8.210 nan 0.000 0.616 252 F N 2.862 122.894 119.950 0.137 0.000 2.421 252 F HA 0.742 5.269 4.527 0.000 0.000 0.337 252 F C -1.111 174.766 175.800 0.127 0.000 1.105 252 F CA -0.821 57.257 58.000 0.129 0.000 1.049 252 F CB 0.965 40.007 39.000 0.071 0.000 1.139 252 F HN 0.312 nan 8.300 nan 0.000 0.479 253 L N 7.115 127.942 121.223 -0.659 0.000 2.365 253 L HA 0.726 5.066 4.340 0.000 0.000 0.273 253 L C -1.169 175.272 176.870 -0.714 0.000 1.000 253 L CA -1.159 53.395 54.840 -0.478 0.000 0.819 253 L CB 1.929 43.861 42.059 -0.213 0.000 1.284 253 L HN 0.478 nan 8.230 nan 0.000 0.418 254 V N 1.814 121.510 119.914 -0.364 0.000 2.841 254 V HA 0.879 4.999 4.120 0.000 0.000 0.310 254 V C -0.318 175.781 176.094 0.008 0.000 1.090 254 V CA -0.102 62.104 62.300 -0.155 0.000 0.930 254 V CB 2.169 33.978 31.823 -0.023 0.000 1.014 254 V HN 0.781 nan 8.190 nan 0.000 0.425 255 G N 3.228 112.116 108.800 0.147 0.000 2.420 255 G HA2 0.519 4.479 3.960 0.000 0.000 0.331 255 G HA3 0.519 4.479 3.960 0.000 0.000 0.331 255 G C -0.870 174.169 174.900 0.232 0.000 1.168 255 G CA -0.447 44.784 45.100 0.218 0.000 0.936 255 G HN 0.783 nan 8.290 nan 0.000 0.479 256 E N 1.860 122.201 120.200 0.234 0.000 2.001 256 E HA 0.047 4.397 4.350 0.000 0.000 0.279 256 E C -1.016 175.731 176.600 0.245 0.000 1.045 256 E CA -0.733 55.855 56.400 0.313 0.000 0.833 256 E CB 0.560 30.470 29.700 0.348 0.000 1.077 256 E HN 0.498 nan 8.360 nan 0.000 0.397 257 W N 7.509 128.844 121.300 0.059 0.000 2.309 257 W HA 0.142 4.803 4.660 0.000 0.000 0.332 257 W C -1.352 175.033 176.519 -0.223 0.000 0.962 257 W CA -1.053 56.237 57.345 -0.092 0.000 1.497 257 W CB -0.027 29.344 29.460 -0.147 0.000 1.308 257 W HN 0.508 nan 8.180 nan 0.000 0.384 258 Y N 5.430 125.556 120.300 -0.290 0.000 2.544 258 Y HA 0.325 4.876 4.550 0.000 0.000 0.330 258 Y C 1.164 176.790 175.900 -0.457 0.000 1.136 258 Y CA 2.359 59.962 58.100 -0.828 0.000 1.417 258 Y CB 0.440 38.642 38.460 -0.430 0.000 1.229 258 Y HN 0.786 nan 8.280 nan 0.000 0.532 259 G N 4.559 113.003 108.800 -0.593 0.000 2.547 259 G HA2 -0.304 3.656 3.960 0.000 0.000 0.271 259 G HA3 -0.304 3.656 3.960 0.000 0.000 0.271 259 G C -0.277 174.758 174.900 0.224 0.000 1.209 259 G CA -0.026 45.111 45.100 0.063 0.000 0.959 259 G HN 0.938 nan 8.290 nan 0.000 0.563 260 D N 0.726 121.276 120.400 0.249 0.000 2.828 260 D HA -0.088 4.552 4.640 0.000 0.000 0.241 260 D C 0.182 176.672 176.300 0.315 0.000 1.142 260 D CA 1.737 55.900 54.000 0.270 0.000 0.755 260 D CB -1.106 39.892 40.800 0.329 0.000 1.014 260 D HN 0.606 nan 8.370 nan 0.000 0.420 261 D N 0.058 120.583 120.400 0.207 0.000 2.363 261 D HA 0.235 4.875 4.640 0.000 0.000 0.240 261 D C -2.054 174.122 176.300 -0.207 0.000 1.236 261 D CA -1.073 52.989 54.000 0.104 0.000 0.927 261 D CB 0.140 40.984 40.800 0.074 0.000 1.150 261 D HN 0.050 nan 8.370 nan 0.000 0.458 262 P HA 0.113 nan 4.420 nan 0.000 0.264 262 P C 0.738 177.841 177.300 -0.328 0.000 1.183 262 P CA 0.748 63.351 63.100 -0.828 0.000 0.763 262 P CB 0.519 31.950 31.700 -0.449 0.000 0.807 263 G N 1.198 109.858 108.800 -0.234 0.000 2.195 263 G HA2 -0.213 3.747 3.960 0.000 0.000 0.246 263 G HA3 -0.213 3.747 3.960 0.000 0.000 0.246 263 G C 0.331 175.221 174.900 -0.018 0.000 0.984 263 G CA 0.360 45.412 45.100 -0.080 0.000 0.633 263 G HN 0.821 nan 8.290 nan 0.000 0.525 264 T N -2.103 112.457 114.554 0.009 0.000 2.902 264 T HA 0.773 5.123 4.350 0.000 0.000 0.280 264 T C 1.653 176.414 174.700 0.101 0.000 0.992 264 T CA 0.420 62.560 62.100 0.066 0.000 1.015 264 T CB 1.818 70.742 68.868 0.094 0.000 1.044 264 T HN 1.351 nan 8.240 nan 0.000 0.520 265 A N 1.519 124.394 122.820 0.092 0.000 1.978 265 A HA -0.070 4.250 4.320 0.000 0.000 0.220 265 A C 1.967 179.616 177.584 0.108 0.000 1.170 265 A CA 1.165 53.256 52.037 0.090 0.000 0.636 265 A CB -0.733 18.314 19.000 0.077 0.000 0.810 265 A HN 0.816 nan 8.150 nan 0.000 0.448 266 N N -1.666 117.118 118.700 0.140 0.000 2.270 266 N HA 0.042 4.782 4.740 0.000 0.000 0.198 266 N C 1.052 176.621 175.510 0.099 0.000 1.117 266 N CA 0.496 53.638 53.050 0.154 0.000 0.845 266 N CB -0.198 38.432 38.487 0.240 0.000 0.980 266 N HN 0.739 nan 8.380 nan 0.000 0.486 267 H N 1.192 120.267 119.070 0.010 0.000 2.321 267 H HA -0.036 4.520 4.556 0.000 0.000 0.300 267 H C 1.922 177.174 175.328 -0.127 0.000 1.087 267 H CA 1.390 57.404 56.048 -0.055 0.000 1.319 267 H CB -0.060 29.692 29.762 -0.017 0.000 1.379 267 H HN 0.078 nan 8.280 nan 0.000 0.501 268 L N 0.885 122.042 121.223 -0.111 0.000 2.083 268 L HA -0.118 4.222 4.340 0.000 0.000 0.209 268 L C 2.311 179.054 176.870 -0.211 0.000 1.083 268 L CA 2.237 56.975 54.840 -0.170 0.000 0.752 268 L CB -0.820 41.221 42.059 -0.030 0.000 0.899 268 L HN 0.516 nan 8.230 nan 0.000 0.433 269 E N -0.369 119.734 120.200 -0.161 0.000 2.077 269 E HA -0.315 4.035 4.350 0.000 0.000 0.193 269 E C 2.261 178.580 176.600 -0.469 0.000 0.989 269 E CA 1.499 57.805 56.400 -0.158 0.000 0.800 269 E CB -0.158 29.547 29.700 0.009 0.000 0.746 269 E HN 0.573 nan 8.360 nan 0.000 0.452 270 K N 0.191 120.057 120.400 -0.890 0.000 2.057 270 K HA -0.128 4.192 4.320 0.000 0.000 0.207 270 K C 2.046 178.294 176.600 -0.587 0.000 1.049 270 K CA 1.399 56.869 56.287 -1.362 0.000 0.931 270 K CB 0.020 31.610 32.500 -1.515 0.000 0.714 270 K HN 0.047 nan 8.250 nan 0.000 0.440 271 V N 1.425 121.011 119.914 -0.548 0.000 2.343 271 V HA -0.233 3.887 4.120 0.000 0.000 0.247 271 V C 2.413 178.371 176.094 -0.227 0.000 1.051 271 V CA 1.937 63.957 62.300 -0.466 0.000 1.036 271 V CB -0.530 30.913 31.823 -0.633 0.000 0.654 271 V HN 0.355 nan 8.190 nan 0.000 0.451 272 R N -1.281 119.113 120.500 -0.175 0.000 2.081 272 R HA -0.203 4.137 4.340 0.000 0.000 0.235 272 R C 2.319 178.636 176.300 0.027 0.000 1.131 272 R CA 2.076 58.144 56.100 -0.054 0.000 0.960 272 R CB -0.549 29.747 30.300 -0.007 0.000 0.856 272 R HN 0.644 nan 8.270 nan 0.000 0.436 273 Y N 1.047 121.289 120.300 -0.097 0.000 2.097 273 Y HA -0.269 4.281 4.550 0.000 0.000 0.282 273 Y C 2.265 178.198 175.900 0.055 0.000 1.152 273 Y CA 1.580 59.685 58.100 0.009 0.000 1.136 273 Y CB -0.434 38.024 38.460 -0.003 0.000 0.975 273 Y HN 0.067 nan 8.280 nan 0.000 0.498 274 A N 0.423 123.404 122.820 0.269 0.000 1.933 274 A HA -0.221 4.099 4.320 0.000 0.000 0.218 274 A C 1.908 179.599 177.584 0.179 0.000 1.175 274 A CA 2.004 54.206 52.037 0.275 0.000 0.628 274 A CB -0.706 18.552 19.000 0.430 0.000 0.814 274 A HN 0.607 nan 8.150 nan 0.000 0.444 275 N N -0.269 118.491 118.700 0.100 0.000 2.446 275 N HA -0.006 4.734 4.740 0.000 0.000 0.179 275 N C 0.999 176.550 175.510 0.068 0.000 1.054 275 N CA 0.792 53.886 53.050 0.073 0.000 0.905 275 N CB -0.119 38.350 38.487 -0.030 0.000 0.973 275 N HN 0.556 nan 8.380 nan 0.000 0.448 276 N N -1.052 117.657 118.700 0.016 0.000 2.297 276 N HA 0.017 4.758 4.740 0.000 0.000 0.208 276 N C 1.168 176.646 175.510 -0.053 0.000 1.176 276 N CA 0.257 53.307 53.050 -0.000 0.000 0.882 276 N CB 0.460 38.953 38.487 0.011 0.000 1.134 276 N HN 0.131 nan 8.380 nan 0.000 0.489 277 S N 0.098 115.689 115.700 -0.183 0.000 2.481 277 S HA 0.086 4.556 4.470 0.000 0.000 0.231 277 S C 1.562 176.071 174.600 -0.153 0.000 0.996 277 S CA 1.231 59.265 58.200 -0.277 0.000 0.942 277 S CB -0.047 62.663 63.200 -0.817 0.000 0.768 277 S HN 0.374 nan 8.310 nan 0.000 0.520 278 G N -0.138 108.619 108.800 -0.072 0.000 2.176 278 G HA2 -0.216 3.744 3.960 0.000 0.000 0.253 278 G HA3 -0.216 3.744 3.960 0.000 0.000 0.253 278 G C -0.017 174.911 174.900 0.048 0.000 0.979 278 G CA 0.082 45.205 45.100 0.039 0.000 0.641 278 G HN 0.851 nan 8.290 nan 0.000 0.530 279 V N 1.953 121.826 119.914 -0.069 0.000 2.448 279 V HA 0.461 4.581 4.120 0.000 0.000 0.295 279 V C 0.265 176.393 176.094 0.057 0.000 1.025 279 V CA -1.381 60.905 62.300 -0.023 0.000 0.859 279 V CB 1.578 33.419 31.823 0.029 0.000 0.988 279 V HN 0.314 nan 8.190 nan 0.000 0.431 280 N N 2.255 120.964 118.700 0.015 0.000 2.327 280 N HA 0.552 5.292 4.740 0.000 0.000 0.257 280 N C -0.310 175.318 175.510 0.197 0.000 1.281 280 N CA -0.181 52.936 53.050 0.113 0.000 0.942 280 N CB 1.946 40.477 38.487 0.074 0.000 1.199 280 N HN 0.610 nan 8.380 nan 0.000 0.532 281 V N -2.372 117.671 119.914 0.214 0.000 3.040 281 V HA 0.530 4.650 4.120 0.000 0.000 0.312 281 V C -0.110 176.114 176.094 0.216 0.000 1.115 281 V CA -1.103 61.346 62.300 0.247 0.000 0.998 281 V CB 1.361 33.355 31.823 0.285 0.000 1.042 281 V HN 0.403 nan 8.190 nan 0.000 0.433 282 L N 1.842 123.240 121.223 0.293 0.000 2.426 282 L HA 0.323 4.663 4.340 0.000 0.000 0.271 282 L C 0.402 177.500 176.870 0.380 0.000 1.169 282 L CA 0.143 55.183 54.840 0.333 0.000 0.836 282 L CB 0.375 42.633 42.059 0.332 0.000 1.112 282 L HN 0.780 nan 8.230 nan 0.000 0.465 283 D N 2.427 122.998 120.400 0.284 0.000 2.558 283 D HA 0.065 4.705 4.640 0.000 0.000 0.221 283 D C 0.749 177.007 176.300 -0.071 0.000 1.143 283 D CA 0.095 54.136 54.000 0.068 0.000 1.010 283 D CB 0.168 40.942 40.800 -0.044 0.000 1.068 283 D HN 0.265 nan 8.370 nan 0.000 0.511 284 F N 0.619 120.637 119.950 0.114 0.000 2.325 284 F HA -0.074 4.453 4.527 0.000 0.000 0.299 284 F C 1.988 177.790 175.800 0.003 0.000 1.090 284 F CA 0.485 58.514 58.000 0.049 0.000 1.392 284 F CB 0.208 39.273 39.000 0.109 0.000 1.053 284 F HN 0.201 nan 8.300 nan 0.000 0.521 285 D N 0.109 120.641 120.400 0.220 0.000 2.104 285 D HA -0.177 4.463 4.640 0.000 0.000 0.194 285 D C 2.256 178.593 176.300 0.062 0.000 0.994 285 D CA 1.139 55.238 54.000 0.166 0.000 0.830 285 D CB -0.617 40.325 40.800 0.235 0.000 0.959 285 D HN 0.175 nan 8.370 nan 0.000 0.452 286 L N 1.255 122.483 121.223 0.008 0.000 2.156 286 L HA -0.041 4.299 4.340 0.000 0.000 0.208 286 L C 1.755 178.573 176.870 -0.087 0.000 1.095 286 L CA 1.235 56.070 54.840 -0.009 0.000 0.770 286 L CB -0.656 41.413 42.059 0.017 0.000 0.914 286 L HN 0.019 nan 8.230 nan 0.000 0.439 287 N N -1.165 117.368 118.700 -0.278 0.000 2.061 287 N HA -0.238 4.502 4.740 0.000 0.000 0.193 287 N C 1.502 176.932 175.510 -0.132 0.000 1.030 287 N CA 2.161 54.969 53.050 -0.404 0.000 0.856 287 N CB 0.021 37.962 38.487 -0.910 0.000 1.023 287 N HN 0.385 nan 8.380 nan 0.000 0.424 288 T N 0.812 115.340 114.554 -0.044 0.000 2.684 288 T HA -0.094 4.256 4.350 0.000 0.000 0.267 288 T C 2.035 176.737 174.700 0.004 0.000 1.036 288 T CA 1.507 63.620 62.100 0.022 0.000 1.148 288 T CB -0.272 68.630 68.868 0.058 0.000 0.863 288 T HN 0.107 nan 8.240 nan 0.000 0.436 289 V N 1.013 120.918 119.914 -0.016 0.000 2.453 289 V HA -0.052 4.068 4.120 0.000 0.000 0.247 289 V C 2.361 178.420 176.094 -0.059 0.000 1.048 289 V CA 1.080 63.350 62.300 -0.050 0.000 1.049 289 V CB -0.648 31.137 31.823 -0.063 0.000 0.672 289 V HN 0.466 nan 8.190 nan 0.000 0.457 290 I N -0.053 120.521 120.570 0.006 0.000 2.163 290 I HA -0.284 3.886 4.170 0.000 0.000 0.243 290 I C 2.808 179.055 176.117 0.216 0.000 1.085 290 I CA 1.777 63.158 61.300 0.135 0.000 1.347 290 I CB -0.371 37.736 38.000 0.180 0.000 1.044 290 I HN 0.219 nan 8.210 nan 0.000 0.408 291 R N 0.407 120.998 120.500 0.151 0.000 2.092 291 R HA -0.107 4.233 4.340 0.000 0.000 0.231 291 R C 1.958 178.313 176.300 0.093 0.000 1.119 291 R CA 1.229 57.433 56.100 0.174 0.000 0.970 291 R CB -0.319 30.051 30.300 0.116 0.000 0.864 291 R HN 0.403 nan 8.270 nan 0.000 0.440 292 N N -0.103 118.608 118.700 0.019 0.000 2.354 292 N HA -0.065 4.675 4.740 0.000 0.000 0.179 292 N C 1.647 177.080 175.510 -0.129 0.000 1.021 292 N CA 0.769 53.802 53.050 -0.029 0.000 0.887 292 N CB 0.181 38.643 38.487 -0.042 0.000 0.974 292 N HN 0.028 nan 8.380 nan 0.000 0.437 293 V N -0.249 119.518 119.914 -0.244 0.000 2.426 293 V HA 0.005 4.125 4.120 0.000 0.000 0.242 293 V C 1.366 176.993 176.094 -0.779 0.000 1.036 293 V CA 1.149 63.095 62.300 -0.590 0.000 1.044 293 V CB -0.330 31.023 31.823 -0.784 0.000 0.688 293 V HN 0.060 nan 8.190 nan 0.000 0.462 294 F N 0.426 120.308 119.950 -0.114 0.000 2.656 294 F HA 0.340 4.867 4.527 0.000 0.000 0.291 294 F C 2.030 178.085 175.800 0.426 0.000 1.122 294 F CA 0.803 58.874 58.000 0.119 0.000 1.427 294 F CB -0.597 38.542 39.000 0.232 0.000 1.125 294 F HN 0.152 nan 8.300 nan 0.000 0.583 295 G N -0.248 108.793 108.800 0.402 0.000 2.724 295 G HA2 -0.066 3.894 3.960 0.000 0.000 0.217 295 G HA3 -0.066 3.894 3.960 0.000 0.000 0.217 295 G C 1.611 176.607 174.900 0.159 0.000 1.251 295 G CA 0.873 46.013 45.100 0.066 0.000 0.867 295 G HN 0.270 nan 8.290 nan 0.000 0.590 296 T N -2.977 111.650 114.554 0.122 0.000 3.067 296 T HA 0.143 4.494 4.350 0.000 0.000 0.261 296 T C 1.001 175.859 174.700 0.263 0.000 1.110 296 T CA 0.417 62.591 62.100 0.124 0.000 1.113 296 T CB -0.288 68.611 68.868 0.051 0.000 0.917 296 T HN 0.338 nan 8.240 nan 0.000 0.499 297 F N 2.014 121.947 119.950 -0.028 0.000 3.080 297 F HA -0.229 4.298 4.527 0.000 0.000 0.292 297 F C 1.406 177.185 175.800 -0.035 0.000 0.891 297 F CA 0.753 58.733 58.000 -0.033 0.000 1.086 297 F CB -2.498 36.494 39.000 -0.012 0.000 1.095 297 F HN 0.516 nan 8.300 nan 0.000 0.633 298 T N -4.188 110.402 114.554 0.061 0.000 3.044 298 T HA 0.258 4.608 4.350 0.000 0.000 0.250 298 T C 0.656 175.340 174.700 -0.027 0.000 1.081 298 T CA 0.398 62.512 62.100 0.024 0.000 1.040 298 T CB 0.525 69.404 68.868 0.019 0.000 0.962 298 T HN 0.428 nan 8.240 nan 0.000 0.506 299 Q N 1.066 120.815 119.800 -0.086 0.000 2.496 299 Q HA 0.587 4.927 4.340 0.000 0.000 0.286 299 Q C -0.552 175.328 176.000 -0.201 0.000 1.103 299 Q CA -0.931 54.800 55.803 -0.121 0.000 0.813 299 Q CB 2.354 31.016 28.738 -0.128 0.000 1.444 299 Q HN 0.447 nan 8.270 nan 0.000 0.443 300 T N -3.032 111.412 114.554 -0.184 0.000 2.841 300 T HA 0.344 4.694 4.350 0.000 0.000 0.276 300 T C 1.001 175.499 174.700 -0.336 0.000 1.003 300 T CA -0.761 61.199 62.100 -0.234 0.000 0.995 300 T CB 0.624 69.449 68.868 -0.072 0.000 1.260 300 T HN 0.411 nan 8.240 nan 0.000 0.581 301 M N -0.459 118.894 119.600 -0.411 0.000 2.279 301 M HA 0.031 4.511 4.480 0.000 0.000 0.264 301 M C 1.888 177.841 176.300 -0.580 0.000 1.062 301 M CA 1.443 56.410 55.300 -0.555 0.000 1.099 301 M CB -1.512 30.778 32.600 -0.517 0.000 1.394 301 M HN 0.717 nan 8.290 nan 0.000 0.426 302 Y N 1.150 121.271 120.300 -0.298 0.000 2.181 302 Y HA -0.224 4.326 4.550 0.000 0.000 0.288 302 Y C 2.325 178.080 175.900 -0.241 0.000 1.146 302 Y CA 1.298 59.249 58.100 -0.248 0.000 1.164 302 Y CB -0.755 37.602 38.460 -0.171 0.000 0.982 302 Y HN 0.334 nan 8.280 nan 0.000 0.515 303 D N -0.326 120.023 120.400 -0.085 0.000 2.144 303 D HA -0.146 4.494 4.640 0.000 0.000 0.200 303 D C 2.174 178.371 176.300 -0.172 0.000 0.978 303 D CA 0.970 54.903 54.000 -0.112 0.000 0.833 303 D CB -0.362 40.370 40.800 -0.113 0.000 0.961 303 D HN 0.258 nan 8.370 nan 0.000 0.470 304 L N 1.555 122.600 121.223 -0.297 0.000 2.027 304 L HA -0.148 4.192 4.340 0.000 0.000 0.206 304 L C 1.869 178.577 176.870 -0.271 0.000 1.074 304 L CA 1.623 56.267 54.840 -0.327 0.000 0.745 304 L CB -0.785 40.957 42.059 -0.528 0.000 0.898 304 L HN -0.107 nan 8.230 nan 0.000 0.433 305 N N -0.582 117.838 118.700 -0.467 0.000 2.166 305 N HA -0.213 4.527 4.740 0.000 0.000 0.186 305 N C 1.608 177.080 175.510 -0.063 0.000 1.019 305 N CA 1.511 54.390 53.050 -0.285 0.000 0.856 305 N CB -0.174 38.083 38.487 -0.382 0.000 0.993 305 N HN 0.344 nan 8.380 nan 0.000 0.426 306 N N -0.072 118.586 118.700 -0.069 0.000 2.166 306 N HA -0.151 4.589 4.740 0.000 0.000 0.186 306 N C 1.458 176.970 175.510 0.002 0.000 1.019 306 N CA 0.920 53.959 53.050 -0.018 0.000 0.856 306 N CB -0.349 38.124 38.487 -0.024 0.000 0.993 306 N HN 0.359 nan 8.380 nan 0.000 0.426 307 M N 0.376 119.973 119.600 -0.006 0.000 2.254 307 M HA 0.043 4.523 4.480 0.000 0.000 0.265 307 M C 1.668 178.013 176.300 0.075 0.000 1.066 307 M CA 0.790 56.109 55.300 0.031 0.000 1.123 307 M CB -0.252 32.360 32.600 0.020 0.000 1.388 307 M HN -0.146 nan 8.290 nan 0.000 0.425 308 V N 1.030 120.998 119.914 0.089 0.000 2.295 308 V HA -0.291 3.829 4.120 0.000 0.000 0.246 308 V C 2.179 178.330 176.094 0.095 0.000 1.049 308 V CA 1.936 64.303 62.300 0.113 0.000 1.024 308 V CB -1.035 30.881 31.823 0.156 0.000 0.648 308 V HN 0.474 nan 8.190 nan 0.000 0.447 309 N N -0.116 118.632 118.700 0.081 0.000 2.084 309 N HA -0.201 4.539 4.740 0.000 0.000 0.190 309 N C 1.900 177.451 175.510 0.068 0.000 1.030 309 N CA 1.663 54.755 53.050 0.069 0.000 0.849 309 N CB -0.375 38.144 38.487 0.054 0.000 1.012 309 N HN 0.624 nan 8.380 nan 0.000 0.423 310 Q N 0.350 120.189 119.800 0.065 0.000 2.050 310 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 310 Q C 1.806 177.880 176.000 0.124 0.000 0.980 310 Q CA 2.278 58.122 55.803 0.069 0.000 0.840 310 Q CB -0.114 28.652 28.738 0.048 0.000 0.898 310 Q HN 0.556 nan 8.270 nan 0.000 0.424 311 T N -2.860 111.803 114.554 0.181 0.000 2.867 311 T HA -0.057 4.293 4.350 0.000 0.000 0.268 311 T C 1.812 176.685 174.700 0.287 0.000 1.057 311 T CA 1.045 63.345 62.100 0.333 0.000 1.136 311 T CB -0.767 68.264 68.868 0.272 0.000 0.874 311 T HN 0.413 nan 8.240 nan 0.000 0.466 312 G N 1.583 110.480 108.800 0.161 0.000 2.432 312 G HA2 -0.184 3.776 3.960 0.000 0.000 0.219 312 G HA3 -0.184 3.776 3.960 0.000 0.000 0.219 312 G C 1.713 176.663 174.900 0.083 0.000 1.135 312 G CA 0.510 45.681 45.100 0.117 0.000 0.767 312 G HN 0.474 nan 8.290 nan 0.000 0.550 313 N N 0.403 119.141 118.700 0.065 0.000 2.333 313 N HA 0.016 4.756 4.740 0.000 0.000 0.178 313 N C 2.082 177.583 175.510 -0.016 0.000 1.018 313 N CA 0.716 53.777 53.050 0.019 0.000 0.882 313 N CB 0.002 38.497 38.487 0.013 0.000 0.984 313 N HN 0.507 nan 8.380 nan 0.000 0.434 314 E N -0.668 119.518 120.200 -0.023 0.000 2.102 314 E HA -0.003 4.347 4.350 0.000 0.000 0.190 314 E C -0.243 176.184 176.600 -0.288 0.000 0.971 314 E CA 0.366 56.656 56.400 -0.185 0.000 0.821 314 E CB 0.092 29.618 29.700 -0.290 0.000 0.777 314 E HN 0.288 nan 8.360 nan 0.000 0.460 315 Y N 1.682 121.978 120.300 -0.007 0.000 2.365 315 Y HA 0.080 4.630 4.550 0.000 0.000 0.340 315 Y C 1.330 177.181 175.900 -0.081 0.000 1.016 315 Y CA -0.094 57.995 58.100 -0.018 0.000 1.196 315 Y CB 0.942 39.427 38.460 0.040 0.000 1.167 315 Y HN -0.153 nan 8.280 nan 0.000 0.509 316 K N 2.336 122.687 120.400 -0.081 0.000 2.063 316 K HA -0.157 4.164 4.320 0.000 0.000 0.208 316 K C -0.432 175.891 176.600 -0.462 0.000 1.048 316 K CA 1.493 57.562 56.287 -0.363 0.000 0.928 316 K CB 0.011 32.145 32.500 -0.609 0.000 0.713 316 K HN 0.666 nan 8.250 nan 0.000 0.442 317 Y N 1.710 122.088 120.300 0.130 0.000 2.723 317 Y HA 0.168 4.718 4.550 0.000 0.000 0.374 317 Y C 0.638 176.634 175.900 0.159 0.000 1.062 317 Y CA -0.925 57.261 58.100 0.143 0.000 1.321 317 Y CB 0.676 39.234 38.460 0.164 0.000 1.405 317 Y HN 0.002 nan 8.280 nan 0.000 0.583 318 K N -0.537 119.995 120.400 0.220 0.000 2.280 318 K HA -0.169 4.151 4.320 0.000 0.000 0.202 318 K C 0.350 177.032 176.600 0.138 0.000 1.047 318 K CA 1.444 57.830 56.287 0.165 0.000 0.942 318 K CB 0.107 32.695 32.500 0.147 0.000 0.739 318 K HN 0.394 nan 8.250 nan 0.000 0.457 319 E N 0.978 121.289 120.200 0.185 0.000 2.516 319 E HA -0.015 4.335 4.350 0.000 0.000 0.199 319 E C 0.699 177.401 176.600 0.170 0.000 1.069 319 E CA 0.405 56.902 56.400 0.162 0.000 0.876 319 E CB -0.033 29.795 29.700 0.213 0.000 0.843 319 E HN 0.379 nan 8.360 nan 0.000 0.530 320 N N -0.322 118.514 118.700 0.226 0.000 2.236 320 N HA 0.095 4.836 4.740 0.000 0.000 0.196 320 N C -0.179 175.479 175.510 0.246 0.000 1.114 320 N CA -0.010 53.205 53.050 0.274 0.000 0.859 320 N CB 0.406 39.099 38.487 0.345 0.000 0.982 320 N HN 0.160 nan 8.380 nan 0.000 0.493 321 L N 1.471 122.775 121.223 0.134 0.000 2.490 321 L HA 0.078 4.418 4.340 0.000 0.000 0.274 321 L C 0.069 177.006 176.870 0.112 0.000 1.201 321 L CA 0.203 55.083 54.840 0.066 0.000 0.869 321 L CB 0.555 42.574 42.059 -0.066 0.000 1.123 321 L HN -0.076 nan 8.230 nan 0.000 0.484 322 I N 2.702 123.371 120.570 0.164 0.000 2.307 322 I HA 0.178 4.348 4.170 0.000 0.000 0.289 322 I C 0.606 176.875 176.117 0.252 0.000 1.021 322 I CA -0.230 61.190 61.300 0.201 0.000 1.224 322 I CB 0.923 39.067 38.000 0.240 0.000 1.376 322 I HN 0.571 nan 8.210 nan 0.000 0.470 323 T N 4.156 118.816 114.554 0.176 0.000 2.918 323 T HA 0.822 5.172 4.350 0.000 0.000 0.283 323 T C -0.469 174.391 174.700 0.266 0.000 1.001 323 T CA -0.467 61.703 62.100 0.116 0.000 1.041 323 T CB 1.677 70.537 68.868 -0.014 0.000 1.028 323 T HN 0.375 nan 8.240 nan 0.000 0.511 324 F N -1.573 118.375 119.950 -0.003 0.000 2.744 324 F HA 0.593 5.120 4.527 0.000 0.000 0.311 324 F C -0.477 175.332 175.800 0.015 0.000 1.144 324 F CA -1.486 56.517 58.000 0.005 0.000 0.938 324 F CB 0.403 39.396 39.000 -0.012 0.000 1.292 324 F HN 0.402 nan 8.300 nan 0.000 0.444 325 I N 0.214 120.877 120.570 0.155 0.000 3.265 325 I HA 0.139 4.309 4.170 0.000 0.000 0.282 325 I C -0.346 175.916 176.117 0.242 0.000 1.207 325 I CA 0.567 61.944 61.300 0.128 0.000 1.449 325 I CB 0.019 38.080 38.000 0.103 0.000 1.121 325 I HN 0.750 nan 8.210 nan 0.000 0.442 326 D N -0.331 120.263 120.400 0.324 0.000 2.768 326 D HA 0.405 5.045 4.640 0.000 0.000 0.327 326 D C -1.002 175.360 176.300 0.103 0.000 1.302 326 D CA -0.748 53.407 54.000 0.257 0.000 0.897 326 D CB 0.860 41.802 40.800 0.237 0.000 1.420 326 D HN 0.061 nan 8.370 nan 0.000 0.494 327 N N -2.988 115.584 118.700 -0.213 0.000 3.395 327 N HA 0.108 4.848 4.740 0.000 0.000 0.293 327 N C 0.126 175.120 175.510 -0.861 0.000 1.489 327 N CA -0.492 52.140 53.050 -0.696 0.000 0.871 327 N CB -0.215 38.042 38.487 -0.384 0.000 1.649 327 N HN 0.584 nan 8.380 nan 0.000 0.501 328 H N -1.804 116.721 119.070 -0.908 0.000 2.556 328 H HA 0.276 4.832 4.556 0.000 0.000 0.268 328 H C -0.796 174.470 175.328 -0.103 0.000 0.996 328 H CA 0.614 56.445 56.048 -0.361 0.000 1.157 328 H CB -0.313 29.410 29.762 -0.064 0.000 1.355 328 H HN 0.515 nan 8.280 nan 0.000 0.597 329 D N 0.668 120.799 120.400 -0.448 0.000 2.479 329 D HA 0.159 4.799 4.640 0.000 0.000 0.218 329 D C 0.769 177.067 176.300 -0.003 0.000 1.177 329 D CA 0.027 53.882 54.000 -0.241 0.000 0.830 329 D CB 0.757 41.465 40.800 -0.154 0.000 1.014 329 D HN 0.568 nan 8.370 nan 0.000 0.503 330 M N -1.411 118.193 119.600 0.007 0.000 2.569 330 M HA 0.477 4.957 4.480 0.000 0.000 0.279 330 M C -0.512 175.831 176.300 0.072 0.000 1.253 330 M CA -1.002 54.346 55.300 0.080 0.000 0.867 330 M CB 2.047 34.739 32.600 0.154 0.000 1.727 330 M HN -0.204 nan 8.290 nan 0.000 0.467 331 S N 0.940 116.688 115.700 0.080 0.000 2.563 331 S HA 0.296 4.766 4.470 0.000 0.000 0.284 331 S C 0.073 174.743 174.600 0.116 0.000 1.331 331 S CA -0.586 57.666 58.200 0.086 0.000 1.047 331 S CB 0.377 63.609 63.200 0.053 0.000 0.859 331 S HN 0.744 nan 8.310 nan 0.000 0.514 332 R N 0.779 121.367 120.500 0.148 0.000 2.679 332 R HA 0.068 4.408 4.340 0.000 0.000 0.268 332 R C 1.049 177.461 176.300 0.187 0.000 1.044 332 R CA -0.015 56.207 56.100 0.202 0.000 1.105 332 R CB -0.013 30.408 30.300 0.202 0.000 0.989 332 R HN 0.831 nan 8.270 nan 0.000 0.447 333 F N 2.443 122.465 119.950 0.121 0.000 2.091 333 F HA -0.247 4.280 4.527 0.000 0.000 0.299 333 F C 1.856 177.715 175.800 0.099 0.000 1.103 333 F CA 1.733 59.799 58.000 0.111 0.000 1.228 333 F CB -0.091 38.976 39.000 0.112 0.000 0.984 333 F HN 0.426 nan 8.300 nan 0.000 0.477 334 L N -0.720 120.684 121.223 0.302 0.000 2.450 334 L HA -0.180 4.161 4.340 0.000 0.000 0.224 334 L C 2.191 179.084 176.870 0.038 0.000 1.149 334 L CA 0.943 55.894 54.840 0.183 0.000 0.816 334 L CB -0.622 41.576 42.059 0.231 0.000 0.932 334 L HN 0.107 nan 8.230 nan 0.000 0.449 335 S N -1.242 114.470 115.700 0.019 0.000 2.478 335 S HA -0.021 4.449 4.470 0.000 0.000 0.222 335 S C 1.901 176.458 174.600 -0.071 0.000 1.008 335 S CA 0.273 58.466 58.200 -0.012 0.000 0.928 335 S CB 0.343 63.552 63.200 0.016 0.000 0.781 335 S HN 0.156 nan 8.310 nan 0.000 0.518 336 V N 1.658 121.481 119.914 -0.152 0.000 2.407 336 V HA 0.117 4.237 4.120 0.000 0.000 0.245 336 V C 0.650 176.601 176.094 -0.239 0.000 1.041 336 V CA 0.848 63.022 62.300 -0.209 0.000 1.040 336 V CB -0.347 31.295 31.823 -0.301 0.000 0.671 336 V HN 0.431 nan 8.190 nan 0.000 0.455 337 N N -0.699 117.798 118.700 -0.338 0.000 2.572 337 N HA 0.081 4.821 4.740 0.000 0.000 0.287 337 N C 0.465 175.929 175.510 -0.077 0.000 1.136 337 N CA 0.457 53.383 53.050 -0.207 0.000 0.900 337 N CB 1.910 40.266 38.487 -0.220 0.000 1.484 337 N HN 0.082 nan 8.380 nan 0.000 0.526 338 S N 1.790 117.475 115.700 -0.024 0.000 2.607 338 S HA 0.010 4.480 4.470 0.000 0.000 0.224 338 S C 0.624 175.243 174.600 0.031 0.000 0.969 338 S CA -0.290 57.922 58.200 0.019 0.000 0.927 338 S CB -0.359 62.837 63.200 -0.006 0.000 0.772 338 S HN 0.587 nan 8.310 nan 0.000 0.533 339 N N 2.147 120.880 118.700 0.054 0.000 2.431 339 N HA 0.094 4.834 4.740 0.000 0.000 0.265 339 N C 0.562 176.101 175.510 0.049 0.000 1.184 339 N CA 0.081 53.158 53.050 0.045 0.000 0.943 339 N CB 0.664 39.190 38.487 0.064 0.000 1.080 339 N HN 0.374 nan 8.380 nan 0.000 0.477 340 K N 2.756 123.104 120.400 -0.085 0.000 2.211 340 K HA -0.087 4.233 4.320 0.000 0.000 0.203 340 K C 1.736 178.080 176.600 -0.427 0.000 1.050 340 K CA 1.135 57.252 56.287 -0.283 0.000 0.945 340 K CB 0.082 32.316 32.500 -0.444 0.000 0.732 340 K HN 0.592 nan 8.250 nan 0.000 0.451 341 A N 1.849 124.597 122.820 -0.120 0.000 1.933 341 A HA -0.196 4.124 4.320 0.000 0.000 0.218 341 A C 1.677 179.304 177.584 0.071 0.000 1.175 341 A CA 1.659 53.717 52.037 0.036 0.000 0.628 341 A CB -0.609 18.468 19.000 0.128 0.000 0.814 341 A HN 0.357 nan 8.150 nan 0.000 0.444 342 N N -0.532 118.258 118.700 0.151 0.000 2.244 342 N HA -0.113 4.628 4.740 0.000 0.000 0.183 342 N C 1.614 177.138 175.510 0.022 0.000 1.016 342 N CA 1.139 54.364 53.050 0.292 0.000 0.866 342 N CB -0.202 38.614 38.487 0.548 0.000 0.980 342 N HN 0.435 nan 8.380 nan 0.000 0.430 343 L N 0.749 121.901 121.223 -0.120 0.000 2.056 343 L HA -0.127 4.213 4.340 0.000 0.000 0.207 343 L C 1.631 178.310 176.870 -0.318 0.000 1.078 343 L CA 1.825 56.343 54.840 -0.536 0.000 0.749 343 L CB -0.680 41.244 42.059 -0.225 0.000 0.901 343 L HN 0.235 nan 8.230 nan 0.000 0.433 344 H N -1.166 117.858 119.070 -0.077 0.000 2.387 344 H HA -0.165 4.391 4.556 0.000 0.000 0.299 344 H C 2.193 177.440 175.328 -0.136 0.000 1.099 344 H CA 1.494 57.507 56.048 -0.057 0.000 1.315 344 H CB 0.029 29.806 29.762 0.026 0.000 1.380 344 H HN 0.514 nan 8.280 nan 0.000 0.513 345 Q N 0.460 120.224 119.800 -0.060 0.000 2.046 345 Q HA -0.100 4.240 4.340 0.000 0.000 0.200 345 Q C 2.690 178.330 176.000 -0.599 0.000 0.975 345 Q CA 1.141 56.825 55.803 -0.197 0.000 0.836 345 Q CB -0.046 28.657 28.738 -0.058 0.000 0.896 345 Q HN 0.485 nan 8.270 nan 0.000 0.428 346 A N 0.801 123.074 122.820 -0.910 0.000 1.902 346 A HA -0.163 4.157 4.320 0.000 0.000 0.217 346 A C 2.077 179.448 177.584 -0.356 0.000 1.181 346 A CA 1.137 52.610 52.037 -0.940 0.000 0.623 346 A CB -0.698 17.833 19.000 -0.781 0.000 0.818 346 A HN 0.294 nan 8.150 nan 0.000 0.443 347 L N -0.874 120.192 121.223 -0.263 0.000 2.046 347 L HA -0.198 4.142 4.340 0.000 0.000 0.208 347 L C 3.115 179.944 176.870 -0.068 0.000 1.077 347 L CA 1.091 55.862 54.840 -0.115 0.000 0.747 347 L CB -0.534 41.487 42.059 -0.063 0.000 0.896 347 L HN 0.445 nan 8.230 nan 0.000 0.432 348 A N -0.332 122.451 122.820 -0.061 0.000 1.933 348 A HA -0.269 4.051 4.320 0.000 0.000 0.218 348 A C 2.152 179.759 177.584 0.039 0.000 1.175 348 A CA 1.453 53.476 52.037 -0.023 0.000 0.628 348 A CB -0.796 18.194 19.000 -0.016 0.000 0.814 348 A HN 0.400 nan 8.150 nan 0.000 0.444 349 F N 1.641 121.544 119.950 -0.079 0.000 2.069 349 F HA -0.207 4.320 4.527 0.000 0.000 0.298 349 F C 2.056 177.861 175.800 0.008 0.000 1.113 349 F CA 2.028 60.049 58.000 0.035 0.000 1.214 349 F CB -0.330 38.677 39.000 0.013 0.000 0.978 349 F HN 0.350 nan 8.300 nan 0.000 0.474 350 I N -1.611 118.894 120.570 -0.109 0.000 2.546 350 I HA -0.152 4.018 4.170 0.000 0.000 0.255 350 I C 1.962 177.984 176.117 -0.158 0.000 1.163 350 I CA 1.267 62.450 61.300 -0.195 0.000 1.457 350 I CB -0.838 37.132 38.000 -0.050 0.000 1.092 350 I HN 0.173 nan 8.210 nan 0.000 0.434 351 L N 1.505 122.665 121.223 -0.106 0.000 2.201 351 L HA -0.097 4.243 4.340 0.000 0.000 0.212 351 L C 2.436 179.234 176.870 -0.121 0.000 1.105 351 L CA 1.865 56.646 54.840 -0.098 0.000 0.775 351 L CB -0.566 41.446 42.059 -0.079 0.000 0.913 351 L HN 0.547 nan 8.230 nan 0.000 0.440 352 T N -6.474 108.006 114.554 -0.124 0.000 3.010 352 T HA 0.197 4.547 4.350 0.000 0.000 0.257 352 T C 0.830 175.476 174.700 -0.090 0.000 1.020 352 T CA -0.274 61.769 62.100 -0.096 0.000 0.938 352 T CB 0.322 69.160 68.868 -0.050 0.000 1.049 352 T HN -0.016 nan 8.240 nan 0.000 0.522 353 S N 2.452 118.003 115.700 -0.247 0.000 2.669 353 S HA 0.546 5.016 4.470 0.000 0.000 0.270 353 S C 0.475 174.941 174.600 -0.222 0.000 1.225 353 S CA -1.020 56.969 58.200 -0.351 0.000 0.991 353 S CB 0.753 63.455 63.200 -0.830 0.000 0.987 353 S HN 0.621 nan 8.310 nan 0.000 0.552 354 R N 0.817 121.214 120.500 -0.170 0.000 2.784 354 R HA 0.441 4.781 4.340 0.000 0.000 0.266 354 R C 0.582 176.837 176.300 -0.075 0.000 1.044 354 R CA 0.677 56.728 56.100 -0.082 0.000 1.151 354 R CB -1.412 28.874 30.300 -0.024 0.000 1.037 354 R HN 0.980 nan 8.270 nan 0.000 0.478 355 G N 0.530 109.313 108.800 -0.029 0.000 2.660 355 G HA2 -0.196 3.764 3.960 0.000 0.000 0.215 355 G HA3 -0.196 3.764 3.960 0.000 0.000 0.215 355 G C -1.240 173.635 174.900 -0.042 0.000 1.345 355 G CA -0.076 45.019 45.100 -0.008 0.000 0.877 355 G HN 0.839 nan 8.290 nan 0.000 0.549 356 T N 3.581 118.124 114.554 -0.019 0.000 2.841 356 T HA 0.685 5.035 4.350 0.000 0.000 0.285 356 T C -2.547 172.163 174.700 0.016 0.000 0.991 356 T CA -0.572 61.505 62.100 -0.038 0.000 0.966 356 T CB 2.586 71.406 68.868 -0.080 0.000 0.962 356 T HN 0.624 nan 8.240 nan 0.000 0.438 357 P HA 0.271 nan 4.420 nan 0.000 0.280 357 P C -0.757 176.614 177.300 0.119 0.000 1.244 357 P CA -0.409 62.724 63.100 0.055 0.000 0.784 357 P CB 0.980 32.686 31.700 0.010 0.000 0.913 358 S N 3.555 119.373 115.700 0.196 0.000 2.474 358 S HA 0.484 4.955 4.470 0.000 0.000 0.321 358 S C -0.281 174.428 174.600 0.182 0.000 1.080 358 S CA -0.815 57.528 58.200 0.238 0.000 1.106 358 S CB -0.423 63.002 63.200 0.374 0.000 0.984 358 S HN 0.236 nan 8.310 nan 0.000 0.464 359 I N 5.526 126.171 120.570 0.126 0.000 2.321 359 I HA 0.262 4.433 4.170 0.000 0.000 0.291 359 I C -0.427 175.648 176.117 -0.070 0.000 0.998 359 I CA -0.873 60.472 61.300 0.075 0.000 1.227 359 I CB 0.770 38.841 38.000 0.119 0.000 1.368 359 I HN 0.617 nan 8.210 nan 0.000 0.466 360 Y N 8.738 128.924 120.300 -0.189 0.000 2.442 360 Y HA 0.046 4.596 4.550 0.000 0.000 0.330 360 Y C 0.097 175.742 175.900 -0.426 0.000 1.129 360 Y CA -1.024 56.899 58.100 -0.294 0.000 1.365 360 Y CB 0.133 38.493 38.460 -0.166 0.000 1.233 360 Y HN 0.439 nan 8.280 nan 0.000 0.529 361 Y N 3.583 123.373 120.300 -0.850 0.000 2.903 361 Y HA 0.297 4.847 4.550 0.000 0.000 0.338 361 Y C 1.149 176.836 175.900 -0.354 0.000 1.265 361 Y CA -0.351 57.302 58.100 -0.745 0.000 1.532 361 Y CB -0.053 38.163 38.460 -0.408 0.000 1.293 361 Y HN 0.937 nan 8.280 nan 0.000 0.609 362 G N 2.058 110.826 108.800 -0.053 0.000 2.179 362 G HA2 -0.374 3.586 3.960 0.000 0.000 0.260 362 G HA3 -0.374 3.586 3.960 0.000 0.000 0.260 362 G C 0.827 175.649 174.900 -0.130 0.000 0.977 362 G CA 0.573 45.607 45.100 -0.111 0.000 0.641 362 G HN 0.885 nan 8.290 nan 0.000 0.533 363 T N 1.436 115.918 114.554 -0.121 0.000 2.720 363 T HA -0.116 4.234 4.350 0.000 0.000 0.268 363 T C 2.143 176.783 174.700 -0.101 0.000 1.037 363 T CA 1.886 63.955 62.100 -0.052 0.000 1.144 363 T CB -0.225 68.643 68.868 -0.000 0.000 0.864 363 T HN 0.790 nan 8.240 nan 0.000 0.444 364 E N 0.983 121.150 120.200 -0.056 0.000 2.478 364 E HA -0.107 4.243 4.350 0.000 0.000 0.198 364 E C 1.247 177.666 176.600 -0.300 0.000 1.046 364 E CA 0.724 57.041 56.400 -0.139 0.000 0.870 364 E CB -0.099 29.645 29.700 0.073 0.000 0.818 364 E HN 0.394 nan 8.360 nan 0.000 0.527 365 Q N -0.018 119.659 119.800 -0.205 0.000 2.220 365 Q HA 0.066 4.406 4.340 0.000 0.000 0.205 365 Q C -0.593 175.355 176.000 -0.085 0.000 0.865 365 Q CA -0.428 55.283 55.803 -0.154 0.000 0.960 365 Q CB -0.201 28.492 28.738 -0.075 0.000 1.097 365 Q HN 0.295 nan 8.270 nan 0.000 0.493 366 Y N -1.308 119.040 120.300 0.081 0.000 3.477 366 Y HA -0.266 4.284 4.550 0.000 0.000 0.216 366 Y C 0.312 176.244 175.900 0.054 0.000 1.296 366 Y CA 0.187 58.330 58.100 0.072 0.000 1.535 366 Y CB -2.681 35.824 38.460 0.074 0.000 1.482 366 Y HN 0.207 nan 8.280 nan 0.000 0.597 367 M N 0.458 120.118 119.600 0.100 0.000 2.238 367 M HA 0.444 4.924 4.480 0.000 0.000 0.347 367 M C 0.801 177.172 176.300 0.118 0.000 1.173 367 M CA 0.842 56.187 55.300 0.076 0.000 1.147 367 M CB 0.792 33.370 32.600 -0.037 0.000 1.547 367 M HN 0.444 nan 8.290 nan 0.000 0.455 368 A N 1.864 124.760 122.820 0.127 0.000 2.387 368 A HA 1.029 5.349 4.320 0.000 0.000 0.303 368 A C -0.325 177.338 177.584 0.131 0.000 1.145 368 A CA -0.325 51.788 52.037 0.126 0.000 0.801 368 A CB 1.861 20.924 19.000 0.105 0.000 1.342 368 A HN 0.936 nan 8.150 nan 0.000 0.440 369 G N -1.196 107.673 108.800 0.114 0.000 2.378 369 G HA2 0.571 4.532 3.960 0.000 0.000 0.302 369 G HA3 0.571 4.532 3.960 0.000 0.000 0.302 369 G C -0.086 174.875 174.900 0.101 0.000 1.669 369 G CA 0.155 45.325 45.100 0.116 0.000 0.920 369 G HN 1.471 nan 8.290 nan 0.000 0.697 370 G N 0.216 109.058 108.800 0.069 0.000 2.486 370 G HA2 0.403 4.363 3.960 0.000 0.000 0.272 370 G HA3 0.403 4.363 3.960 0.000 0.000 0.272 370 G C 0.495 175.466 174.900 0.118 0.000 1.426 370 G CA -0.392 44.747 45.100 0.066 0.000 1.058 370 G HN 0.709 nan 8.290 nan 0.000 0.531 371 N N -0.104 118.657 118.700 0.102 0.000 2.354 371 N HA 0.020 4.760 4.740 0.000 0.000 0.246 371 N C -0.144 175.401 175.510 0.059 0.000 1.285 371 N CA -0.363 52.731 53.050 0.075 0.000 0.925 371 N CB 0.607 39.118 38.487 0.039 0.000 1.174 371 N HN 0.414 nan 8.380 nan 0.000 0.478 372 D N 0.710 121.114 120.400 0.006 0.000 2.772 372 D HA -0.079 4.561 4.640 0.000 0.000 0.227 372 D C -1.747 174.456 176.300 -0.161 0.000 1.114 372 D CA -0.459 53.516 54.000 -0.041 0.000 0.832 372 D CB 0.569 41.343 40.800 -0.044 0.000 1.154 372 D HN 0.314 nan 8.370 nan 0.000 0.514 373 P HA 0.055 nan 4.420 nan 0.000 0.274 373 P C 0.242 177.398 177.300 -0.240 0.000 1.352 373 P CA 0.020 62.995 63.100 -0.209 0.000 0.947 373 P CB -0.022 31.605 31.700 -0.122 0.000 1.437 374 Y N 1.625 121.842 120.300 -0.139 0.000 2.583 374 Y HA -0.037 4.513 4.550 0.000 0.000 0.293 374 Y C 1.748 177.655 175.900 0.011 0.000 1.157 374 Y CA 0.656 58.530 58.100 -0.376 0.000 1.315 374 Y CB -1.079 37.090 38.460 -0.486 0.000 1.021 374 Y HN 0.125 nan 8.280 nan 0.000 0.536 375 N N 0.316 119.149 118.700 0.221 0.000 2.322 375 N HA 0.017 4.757 4.740 0.000 0.000 0.194 375 N C 0.225 175.982 175.510 0.413 0.000 1.126 375 N CA 0.066 53.296 53.050 0.300 0.000 0.845 375 N CB -0.169 38.479 38.487 0.268 0.000 0.976 375 N HN 0.202 nan 8.380 nan 0.000 0.475 376 R N 0.141 120.905 120.500 0.440 0.000 2.816 376 R HA 0.350 4.690 4.340 0.000 0.000 0.382 376 R C 0.503 177.054 176.300 0.418 0.000 1.140 376 R CA -0.388 55.993 56.100 0.468 0.000 1.050 376 R CB 0.743 31.283 30.300 0.401 0.000 1.396 376 R HN 0.131 nan 8.270 nan 0.000 0.583 377 G N 0.767 109.884 108.800 0.527 0.000 2.684 377 G HA2 0.148 4.108 3.960 0.000 0.000 0.255 377 G HA3 0.148 4.108 3.960 0.000 0.000 0.255 377 G C -0.179 174.972 174.900 0.418 0.000 1.219 377 G CA -0.505 44.902 45.100 0.512 0.000 0.901 377 G HN 0.128 nan 8.290 nan 0.000 0.548 378 M N 0.483 120.340 119.600 0.427 0.000 2.228 378 M HA 0.304 4.784 4.480 0.000 0.000 0.351 378 M C 0.554 176.995 176.300 0.234 0.000 1.233 378 M CA -0.439 55.058 55.300 0.329 0.000 1.129 378 M CB 0.973 33.717 32.600 0.241 0.000 1.604 378 M HN 0.491 nan 8.290 nan 0.000 0.457 379 M N 8.942 128.672 119.600 0.216 0.000 2.338 379 M HA 0.116 4.596 4.480 0.000 0.000 0.360 379 M C -1.832 174.384 176.300 -0.140 0.000 1.547 379 M CA -0.490 54.820 55.300 0.017 0.000 1.001 379 M CB 0.321 32.816 32.600 -0.175 0.000 2.008 379 M HN 0.482 nan 8.290 nan 0.000 0.464 380 P HA 0.222 nan 4.420 nan 0.000 0.226 380 P C -0.542 176.652 177.300 -0.176 0.000 1.161 380 P CA 0.849 63.886 63.100 -0.105 0.000 0.804 380 P CB 0.322 32.002 31.700 -0.034 0.000 0.829 381 A N -1.126 121.452 122.820 -0.403 0.000 2.566 381 A HA 0.606 4.926 4.320 0.000 0.000 0.290 381 A C -1.626 175.484 177.584 -0.790 0.000 1.071 381 A CA -0.524 51.296 52.037 -0.362 0.000 0.658 381 A CB -0.139 18.780 19.000 -0.134 0.000 1.285 381 A HN -0.118 nan 8.150 nan 0.000 0.427 382 F N 0.858 120.669 119.950 -0.231 0.000 2.761 382 F HA 0.249 4.776 4.527 0.000 0.000 0.367 382 F C 0.252 175.995 175.800 -0.096 0.000 1.386 382 F CA -0.542 57.212 58.000 -0.410 0.000 1.177 382 F CB 0.991 39.623 39.000 -0.613 0.000 1.092 382 F HN 0.542 nan 8.300 nan 0.000 0.517 383 D N 1.208 121.627 120.400 0.031 0.000 2.339 383 D HA 0.025 4.665 4.640 0.000 0.000 0.256 383 D C 1.289 177.480 176.300 -0.182 0.000 1.214 383 D CA 0.266 54.252 54.000 -0.024 0.000 0.877 383 D CB 1.251 42.044 40.800 -0.012 0.000 1.111 383 D HN 0.331 nan 8.370 nan 0.000 0.478 384 T N -0.510 113.797 114.554 -0.413 0.000 3.169 384 T HA -0.036 4.314 4.350 0.000 0.000 0.250 384 T C 1.320 175.581 174.700 -0.731 0.000 1.111 384 T CA 0.580 61.954 62.100 -1.210 0.000 1.010 384 T CB -0.287 68.043 68.868 -0.898 0.000 0.984 384 T HN 0.373 nan 8.240 nan 0.000 0.537 385 T N -0.760 113.621 114.554 -0.289 0.000 3.054 385 T HA 0.174 4.524 4.350 0.000 0.000 0.255 385 T C 0.963 175.673 174.700 0.016 0.000 1.035 385 T CA 0.088 62.130 62.100 -0.097 0.000 0.941 385 T CB -0.404 68.434 68.868 -0.050 0.000 1.026 385 T HN 0.542 nan 8.240 nan 0.000 0.533 386 T N -0.126 114.461 114.554 0.055 0.000 2.856 386 T HA 0.181 4.531 4.350 0.000 0.000 0.306 386 T C 1.383 176.194 174.700 0.186 0.000 1.062 386 T CA 0.070 62.276 62.100 0.177 0.000 1.083 386 T CB 0.842 69.823 68.868 0.190 0.000 0.984 386 T HN 0.080 nan 8.240 nan 0.000 0.542 387 T N 2.049 116.735 114.554 0.219 0.000 2.720 387 T HA -0.065 4.285 4.350 0.000 0.000 0.268 387 T C 2.393 177.080 174.700 -0.022 0.000 1.037 387 T CA 1.492 63.631 62.100 0.065 0.000 1.144 387 T CB -0.834 68.039 68.868 0.008 0.000 0.864 387 T HN 0.831 nan 8.240 nan 0.000 0.444 388 A N 0.865 123.763 122.820 0.130 0.000 1.902 388 A HA -0.032 4.288 4.320 0.000 0.000 0.217 388 A C 2.006 179.609 177.584 0.032 0.000 1.181 388 A CA 1.329 53.404 52.037 0.064 0.000 0.623 388 A CB -0.965 18.056 19.000 0.035 0.000 0.818 388 A HN 0.485 nan 8.150 nan 0.000 0.443 389 F N 0.833 120.744 119.950 -0.065 0.000 2.095 389 F HA -0.174 4.353 4.527 0.000 0.000 0.298 389 F C 2.206 177.962 175.800 -0.074 0.000 1.104 389 F CA 2.247 60.206 58.000 -0.067 0.000 1.232 389 F CB -0.169 38.803 39.000 -0.046 0.000 0.987 389 F HN 0.121 nan 8.300 nan 0.000 0.475 390 K N -0.035 120.503 120.400 0.231 0.000 2.057 390 K HA -0.247 4.073 4.320 0.000 0.000 0.207 390 K C 2.153 178.735 176.600 -0.030 0.000 1.049 390 K CA 1.728 58.079 56.287 0.107 0.000 0.931 390 K CB -0.426 32.122 32.500 0.080 0.000 0.714 390 K HN 0.463 nan 8.250 nan 0.000 0.440 391 E N 1.003 121.165 120.200 -0.062 0.000 2.051 391 E HA -0.178 4.172 4.350 0.000 0.000 0.192 391 E C 1.965 178.508 176.600 -0.094 0.000 0.991 391 E CA 1.248 57.596 56.400 -0.086 0.000 0.799 391 E CB 0.126 29.754 29.700 -0.119 0.000 0.748 391 E HN 0.021 nan 8.360 nan 0.000 0.449 392 V N 0.730 120.565 119.914 -0.132 0.000 2.343 392 V HA -0.240 3.880 4.120 0.000 0.000 0.247 392 V C 2.549 178.523 176.094 -0.199 0.000 1.051 392 V CA 1.872 64.075 62.300 -0.162 0.000 1.036 392 V CB -0.614 31.090 31.823 -0.199 0.000 0.654 392 V HN 0.313 nan 8.190 nan 0.000 0.451 393 S N -0.600 114.933 115.700 -0.277 0.000 2.368 393 S HA -0.220 4.250 4.470 0.000 0.000 0.225 393 S C 2.103 176.638 174.600 -0.108 0.000 1.030 393 S CA 2.358 60.413 58.200 -0.240 0.000 0.999 393 S CB -0.361 62.684 63.200 -0.258 0.000 0.844 393 S HN 0.698 nan 8.310 nan 0.000 0.459 394 T N 2.611 117.127 114.554 -0.064 0.000 2.737 394 T HA 0.060 4.410 4.350 0.000 0.000 0.265 394 T C 1.726 176.480 174.700 0.090 0.000 1.038 394 T CA 1.384 63.492 62.100 0.014 0.000 1.144 394 T CB -0.347 68.522 68.868 0.002 0.000 0.866 394 T HN 0.319 nan 8.240 nan 0.000 0.434 395 L N 0.650 121.882 121.223 0.015 0.000 2.217 395 L HA 0.046 4.386 4.340 0.000 0.000 0.211 395 L C 2.967 179.798 176.870 -0.065 0.000 1.107 395 L CA 0.710 55.536 54.840 -0.024 0.000 0.783 395 L CB -0.613 41.410 42.059 -0.059 0.000 0.919 395 L HN 0.238 nan 8.230 nan 0.000 0.442 396 A N 0.511 123.287 122.820 -0.073 0.000 1.930 396 A HA -0.094 4.227 4.320 0.000 0.000 0.217 396 A C 2.407 179.947 177.584 -0.073 0.000 1.175 396 A CA 1.612 53.596 52.037 -0.089 0.000 0.627 396 A CB -1.061 17.872 19.000 -0.111 0.000 0.815 396 A HN 0.414 nan 8.150 nan 0.000 0.443 397 G N -0.184 108.596 108.800 -0.033 0.000 2.418 397 G HA2 -0.137 3.823 3.960 0.000 0.000 0.217 397 G HA3 -0.137 3.823 3.960 0.000 0.000 0.217 397 G C 1.480 176.375 174.900 -0.008 0.000 1.158 397 G CA 1.169 46.268 45.100 -0.001 0.000 0.771 397 G HN 0.479 nan 8.290 nan 0.000 0.545 398 L N 0.729 121.934 121.223 -0.030 0.000 2.046 398 L HA 0.046 4.386 4.340 0.000 0.000 0.208 398 L C 2.716 179.461 176.870 -0.208 0.000 1.077 398 L CA 2.260 56.957 54.840 -0.239 0.000 0.747 398 L CB -0.509 41.221 42.059 -0.548 0.000 0.896 398 L HN 0.272 nan 8.230 nan 0.000 0.432 399 R N -0.795 119.601 120.500 -0.173 0.000 2.115 399 R HA -0.116 4.224 4.340 0.000 0.000 0.230 399 R C 2.342 178.535 176.300 -0.179 0.000 1.111 399 R CA 1.231 57.223 56.100 -0.181 0.000 0.976 399 R CB -0.134 30.070 30.300 -0.159 0.000 0.870 399 R HN 0.366 nan 8.270 nan 0.000 0.445 400 R N -0.127 120.290 120.500 -0.138 0.000 2.115 400 R HA 0.005 4.345 4.340 0.000 0.000 0.226 400 R C 1.220 177.446 176.300 -0.124 0.000 1.100 400 R CA 1.338 57.362 56.100 -0.126 0.000 0.980 400 R CB -0.041 30.205 30.300 -0.090 0.000 0.875 400 R HN 0.377 nan 8.270 nan 0.000 0.445 401 N N -0.171 118.464 118.700 -0.109 0.000 2.322 401 N HA -0.046 4.694 4.740 0.000 0.000 0.181 401 N C -0.044 175.402 175.510 -0.107 0.000 1.088 401 N CA 0.225 53.221 53.050 -0.089 0.000 0.885 401 N CB 0.146 38.606 38.487 -0.045 0.000 1.013 401 N HN 0.039 nan 8.380 nan 0.000 0.472 402 N N 1.063 119.676 118.700 -0.144 0.000 2.476 402 N HA 0.303 5.043 4.740 0.000 0.000 0.257 402 N C 0.383 175.796 175.510 -0.162 0.000 0.970 402 N CA -0.146 52.826 53.050 -0.131 0.000 0.938 402 N CB 1.701 40.098 38.487 -0.151 0.000 1.144 402 N HN -0.010 nan 8.380 nan 0.000 0.500 403 A N 3.470 126.222 122.820 -0.114 0.000 2.070 403 A HA -0.078 4.243 4.320 0.000 0.000 0.220 403 A C 2.001 179.478 177.584 -0.179 0.000 1.159 403 A CA 1.747 53.652 52.037 -0.219 0.000 0.656 403 A CB -0.371 18.656 19.000 0.045 0.000 0.800 403 A HN 0.732 nan 8.150 nan 0.000 0.453 404 A N 0.070 122.899 122.820 0.016 0.000 1.933 404 A HA -0.068 4.252 4.320 0.000 0.000 0.218 404 A C 1.914 179.467 177.584 -0.053 0.000 1.175 404 A CA 1.579 53.659 52.037 0.072 0.000 0.628 404 A CB -0.394 18.659 19.000 0.088 0.000 0.814 404 A HN 0.420 nan 8.150 nan 0.000 0.444 405 I N -0.151 120.332 120.570 -0.145 0.000 2.353 405 I HA -0.200 3.970 4.170 0.000 0.000 0.248 405 I C 2.488 178.464 176.117 -0.236 0.000 1.119 405 I CA 1.271 62.471 61.300 -0.166 0.000 1.417 405 I CB -1.605 36.282 38.000 -0.188 0.000 1.078 405 I HN 0.483 nan 8.210 nan 0.000 0.421 406 Q N -0.365 119.179 119.800 -0.427 0.000 2.083 406 Q HA -0.146 4.195 4.340 0.000 0.000 0.198 406 Q C 1.273 176.981 176.000 -0.486 0.000 0.969 406 Q CA 1.537 56.956 55.803 -0.640 0.000 0.838 406 Q CB 0.050 28.027 28.738 -1.267 0.000 0.900 406 Q HN 0.514 nan 8.270 nan 0.000 0.436 407 Y N -1.485 118.693 120.300 -0.204 0.000 2.499 407 Y HA 0.334 4.884 4.550 0.000 0.000 0.253 407 Y C 0.974 176.890 175.900 0.027 0.000 1.105 407 Y CA -0.515 57.484 58.100 -0.168 0.000 1.240 407 Y CB -0.019 38.069 38.460 -0.620 0.000 1.289 407 Y HN -0.061 nan 8.280 nan 0.000 0.534 408 G N 1.223 110.129 108.800 0.176 0.000 2.636 408 G HA2 0.325 4.285 3.960 0.000 0.000 0.246 408 G HA3 0.325 4.285 3.960 0.000 0.000 0.246 408 G C 0.455 175.446 174.900 0.152 0.000 1.216 408 G CA 0.051 45.285 45.100 0.224 0.000 0.854 408 G HN 0.192 nan 8.290 nan 0.000 0.572 409 T N -1.740 112.891 114.554 0.128 0.000 2.748 409 T HA 0.474 4.824 4.350 0.000 0.000 0.304 409 T C 0.137 174.886 174.700 0.082 0.000 1.041 409 T CA -0.188 61.963 62.100 0.084 0.000 1.033 409 T CB 1.055 69.954 68.868 0.052 0.000 0.995 409 T HN 0.414 nan 8.240 nan 0.000 0.536 410 T N 1.476 116.076 114.554 0.077 0.000 2.841 410 T HA 0.566 4.916 4.350 0.000 0.000 0.285 410 T C -0.699 174.065 174.700 0.106 0.000 0.991 410 T CA -0.637 61.518 62.100 0.092 0.000 0.966 410 T CB 1.584 70.486 68.868 0.056 0.000 0.962 410 T HN 0.764 nan 8.240 nan 0.000 0.438 411 T N 3.417 118.050 114.554 0.132 0.000 2.879 411 T HA 0.335 4.685 4.350 0.000 0.000 0.290 411 T C -0.574 174.234 174.700 0.180 0.000 0.993 411 T CA -0.740 61.438 62.100 0.132 0.000 0.975 411 T CB 1.765 70.691 68.868 0.097 0.000 0.981 411 T HN 0.498 nan 8.240 nan 0.000 0.439 412 Q N 2.898 122.825 119.800 0.210 0.000 2.297 412 Q HA 0.167 4.507 4.340 0.000 0.000 0.267 412 Q C 0.099 176.225 176.000 0.210 0.000 1.006 412 Q CA -0.004 55.969 55.803 0.283 0.000 0.896 412 Q CB 0.589 29.516 28.738 0.315 0.000 1.186 412 Q HN 0.502 nan 8.270 nan 0.000 0.392 413 R N 3.115 123.753 120.500 0.232 0.000 2.316 413 R HA 0.166 4.506 4.340 0.000 0.000 0.201 413 R C -0.408 176.079 176.300 0.311 0.000 0.888 413 R CA 0.341 56.571 56.100 0.217 0.000 1.041 413 R CB 0.733 31.145 30.300 0.187 0.000 1.115 413 R HN 0.692 nan 8.270 nan 0.000 0.559 414 W N 0.090 121.462 121.300 0.120 0.000 3.800 414 W HA 0.554 5.214 4.660 0.000 0.000 0.299 414 W C -1.752 174.818 176.519 0.085 0.000 1.231 414 W CA -0.564 56.831 57.345 0.082 0.000 1.232 414 W CB 1.224 30.722 29.460 0.063 0.000 1.291 414 W HN -0.163 nan 8.180 nan 0.000 0.514 415 I N 6.426 126.959 120.570 -0.063 0.000 2.775 415 I HA 0.482 4.652 4.170 0.000 0.000 0.295 415 I C -1.390 174.452 176.117 -0.457 0.000 1.287 415 I CA -0.448 60.768 61.300 -0.139 0.000 1.029 415 I CB 1.516 39.366 38.000 -0.251 0.000 1.282 415 I HN 0.603 nan 8.210 nan 0.000 0.426 416 N N 3.548 122.001 118.700 -0.411 0.000 3.439 416 N HA 0.348 5.088 4.740 0.000 0.000 0.313 416 N C -0.373 174.885 175.510 -0.419 0.000 1.598 416 N CA -0.657 52.174 53.050 -0.365 0.000 0.830 416 N CB 0.051 38.430 38.487 -0.180 0.000 1.849 416 N HN 0.408 nan 8.380 nan 0.000 0.598 417 N N -0.390 118.230 118.700 -0.133 0.000 2.166 417 N HA -0.062 4.678 4.740 0.000 0.000 0.186 417 N C -0.033 175.372 175.510 -0.175 0.000 1.019 417 N CA 1.347 54.337 53.050 -0.100 0.000 0.856 417 N CB -0.195 38.315 38.487 0.037 0.000 0.993 417 N HN 0.507 nan 8.380 nan 0.000 0.426 418 D N -0.851 119.465 120.400 -0.139 0.000 2.388 418 D HA 0.117 4.757 4.640 0.000 0.000 0.208 418 D C -0.097 176.162 176.300 -0.069 0.000 1.035 418 D CA 0.242 54.195 54.000 -0.079 0.000 0.875 418 D CB 0.966 41.824 40.800 0.098 0.000 0.984 418 D HN -0.080 nan 8.370 nan 0.000 0.508 419 V N 1.370 121.225 119.914 -0.099 0.000 2.513 419 V HA 0.265 4.385 4.120 0.000 0.000 0.299 419 V C -1.093 175.113 176.094 0.187 0.000 1.035 419 V CA -0.833 61.500 62.300 0.056 0.000 0.889 419 V CB 2.169 34.016 31.823 0.040 0.000 0.988 419 V HN -0.009 nan 8.190 nan 0.000 0.440 420 Y N 5.556 125.919 120.300 0.104 0.000 2.327 420 Y HA 0.621 5.171 4.550 0.000 0.000 0.325 420 Y C -0.643 175.420 175.900 0.271 0.000 0.999 420 Y CA -1.873 56.334 58.100 0.177 0.000 1.195 420 Y CB 1.455 40.021 38.460 0.176 0.000 1.132 420 Y HN 0.532 nan 8.280 nan 0.000 0.455 421 I N 8.810 129.576 120.570 0.326 0.000 2.355 421 I HA 0.303 4.473 4.170 0.000 0.000 0.288 421 I C -1.103 175.033 176.117 0.030 0.000 0.999 421 I CA -0.958 60.409 61.300 0.112 0.000 1.163 421 I CB 0.718 38.862 38.000 0.240 0.000 1.316 421 I HN 0.518 nan 8.210 nan 0.000 0.454 422 Y N 3.159 123.338 120.300 -0.202 0.000 2.602 422 Y HA 0.771 5.321 4.550 0.000 0.000 0.342 422 Y C -0.793 175.063 175.900 -0.073 0.000 1.029 422 Y CA -1.346 56.632 58.100 -0.203 0.000 1.080 422 Y CB 1.269 39.444 38.460 -0.475 0.000 1.284 422 Y HN 0.452 nan 8.280 nan 0.000 0.485 423 E N 1.758 122.040 120.200 0.137 0.000 2.234 423 E HA 0.453 4.803 4.350 0.000 0.000 0.266 423 E C -1.222 175.448 176.600 0.117 0.000 0.877 423 E CA -1.125 55.317 56.400 0.071 0.000 0.758 423 E CB 1.132 30.867 29.700 0.059 0.000 1.170 423 E HN 0.593 nan 8.360 nan 0.000 0.415 424 R N 3.159 123.710 120.500 0.085 0.000 2.407 424 R HA 0.462 4.802 4.340 0.000 0.000 0.303 424 R C -0.601 175.749 176.300 0.083 0.000 0.981 424 R CA -0.568 55.584 56.100 0.086 0.000 0.905 424 R CB 1.380 31.715 30.300 0.058 0.000 1.099 424 R HN 0.480 nan 8.270 nan 0.000 0.459 425 K N 2.118 122.582 120.400 0.105 0.000 2.553 425 K HA 0.351 4.671 4.320 0.000 0.000 0.250 425 K C -1.827 174.885 176.600 0.186 0.000 0.953 425 K CA -0.565 55.792 56.287 0.118 0.000 0.800 425 K CB 1.295 33.830 32.500 0.059 0.000 1.243 425 K HN 0.400 nan 8.250 nan 0.000 0.435 426 F N 7.110 127.101 119.950 0.068 0.000 2.532 426 F HA 0.345 4.872 4.527 0.000 0.000 0.365 426 F C -0.207 175.725 175.800 0.221 0.000 1.112 426 F CA -0.379 57.691 58.000 0.115 0.000 1.082 426 F CB -0.038 39.112 39.000 0.250 0.000 1.319 426 F HN 0.838 nan 8.300 nan 0.000 0.457 427 F N 1.194 120.954 119.950 -0.316 0.000 2.484 427 F HA -0.500 4.027 4.527 0.000 0.000 0.231 427 F C 1.591 177.362 175.800 -0.049 0.000 1.469 427 F CA 1.841 59.691 58.000 -0.249 0.000 1.998 427 F CB -0.931 37.814 39.000 -0.425 0.000 0.484 427 F HN 0.439 nan 8.300 nan 0.000 0.213 428 N N 0.923 119.762 118.700 0.232 0.000 2.412 428 N HA 0.029 4.769 4.740 0.000 0.000 0.184 428 N C -0.638 175.051 175.510 0.298 0.000 1.101 428 N CA 0.811 54.001 53.050 0.234 0.000 0.881 428 N CB -0.329 38.303 38.487 0.243 0.000 0.969 428 N HN 0.368 nan 8.380 nan 0.000 0.459 429 D N 1.078 121.637 120.400 0.265 0.000 2.264 429 D HA 0.253 4.893 4.640 0.000 0.000 0.250 429 D C -0.038 176.391 176.300 0.214 0.000 1.113 429 D CA 0.024 54.167 54.000 0.239 0.000 0.871 429 D CB 2.383 43.317 40.800 0.223 0.000 1.167 429 D HN -0.252 nan 8.370 nan 0.000 0.447 430 V N 2.067 122.100 119.914 0.199 0.000 2.760 430 V HA 0.400 4.520 4.120 0.000 0.000 0.309 430 V C -0.223 175.910 176.094 0.066 0.000 1.077 430 V CA -0.835 61.540 62.300 0.125 0.000 0.910 430 V CB 2.523 34.412 31.823 0.110 0.000 1.008 430 V HN 0.267 nan 8.190 nan 0.000 0.424 431 V N 5.161 125.083 119.914 0.014 0.000 2.482 431 V HA 0.485 4.605 4.120 0.000 0.000 0.295 431 V C -0.839 175.219 176.094 -0.060 0.000 1.026 431 V CA -0.494 61.779 62.300 -0.046 0.000 0.856 431 V CB 1.781 33.541 31.823 -0.104 0.000 1.001 431 V HN 0.670 nan 8.190 nan 0.000 0.424 432 L N 6.764 127.963 121.223 -0.041 0.000 2.296 432 L HA 0.760 5.100 4.340 0.000 0.000 0.286 432 L C -0.576 176.221 176.870 -0.122 0.000 1.023 432 L CA 0.062 54.895 54.840 -0.012 0.000 0.812 432 L CB 1.664 43.804 42.059 0.135 0.000 1.223 432 L HN 0.454 nan 8.230 nan 0.000 0.421 433 V N 4.954 124.640 119.914 -0.379 0.000 2.487 433 V HA 0.830 4.950 4.120 0.000 0.000 0.298 433 V C 0.012 175.827 176.094 -0.466 0.000 1.028 433 V CA -0.487 61.471 62.300 -0.570 0.000 0.860 433 V CB 1.343 32.635 31.823 -0.884 0.000 0.991 433 V HN 0.936 nan 8.190 nan 0.000 0.427 434 A N 6.474 129.106 122.820 -0.313 0.000 2.318 434 A HA 0.924 5.244 4.320 0.000 0.000 0.324 434 A C -0.798 176.775 177.584 -0.019 0.000 1.170 434 A CA -0.476 51.527 52.037 -0.057 0.000 0.810 434 A CB 0.702 19.807 19.000 0.176 0.000 1.198 434 A HN 0.777 nan 8.150 nan 0.000 0.484 435 I N 2.490 123.126 120.570 0.110 0.000 2.478 435 I HA 0.271 4.441 4.170 0.000 0.000 0.287 435 I C -0.713 175.539 176.117 0.225 0.000 1.042 435 I CA -0.704 60.713 61.300 0.194 0.000 1.067 435 I CB 2.221 40.420 38.000 0.331 0.000 1.233 435 I HN 0.651 nan 8.210 nan 0.000 0.431 436 N N 5.655 124.485 118.700 0.217 0.000 2.476 436 N HA 0.268 5.008 4.740 0.000 0.000 0.257 436 N C 0.789 176.461 175.510 0.269 0.000 0.970 436 N CA -0.756 52.433 53.050 0.231 0.000 0.938 436 N CB 1.114 39.753 38.487 0.253 0.000 1.144 436 N HN 0.619 nan 8.380 nan 0.000 0.500 437 R N 2.262 122.916 120.500 0.256 0.000 2.236 437 R HA 0.068 4.408 4.340 0.000 0.000 0.208 437 R C 0.064 176.607 176.300 0.404 0.000 1.036 437 R CA 0.176 56.472 56.100 0.328 0.000 1.001 437 R CB -0.137 30.225 30.300 0.103 0.000 0.896 437 R HN 0.271 nan 8.270 nan 0.000 0.464 438 N N 2.371 121.287 118.700 0.360 0.000 2.405 438 N HA -0.040 4.700 4.740 0.000 0.000 0.260 438 N C 0.215 175.864 175.510 0.233 0.000 1.152 438 N CA 0.487 53.741 53.050 0.340 0.000 0.948 438 N CB 1.573 40.274 38.487 0.357 0.000 1.111 438 N HN 0.334 nan 8.380 nan 0.000 0.485 439 T N 0.387 115.050 114.554 0.181 0.000 3.148 439 T HA 0.063 4.413 4.350 0.000 0.000 0.253 439 T C 0.856 175.598 174.700 0.071 0.000 1.134 439 T CA 0.608 62.781 62.100 0.121 0.000 1.051 439 T CB 0.223 69.149 68.868 0.097 0.000 0.959 439 T HN 0.377 nan 8.240 nan 0.000 0.525 440 Q N 0.324 120.159 119.800 0.058 0.000 2.189 440 Q HA 0.394 4.734 4.340 0.000 0.000 0.223 440 Q C -0.136 175.859 176.000 -0.009 0.000 0.828 440 Q CA 0.087 55.902 55.803 0.020 0.000 0.967 440 Q CB 1.329 30.072 28.738 0.008 0.000 1.139 440 Q HN 0.419 nan 8.270 nan 0.000 0.497 441 S N 0.150 115.839 115.700 -0.017 0.000 2.521 441 S HA 0.548 5.018 4.470 0.000 0.000 0.295 441 S C -0.394 174.088 174.600 -0.196 0.000 1.098 441 S CA -0.412 57.696 58.200 -0.153 0.000 0.999 441 S CB 2.182 65.218 63.200 -0.274 0.000 1.034 441 S HN -0.059 nan 8.310 nan 0.000 0.483 442 S N 1.530 117.087 115.700 -0.238 0.000 2.654 442 S HA 0.652 5.122 4.470 0.000 0.000 0.283 442 S C -1.378 172.997 174.600 -0.375 0.000 1.180 442 S CA -0.453 57.649 58.200 -0.164 0.000 1.021 442 S CB 0.399 63.555 63.200 -0.073 0.000 1.018 442 S HN 0.590 nan 8.310 nan 0.000 0.532 443 Y N 0.404 120.688 120.300 -0.027 0.000 2.391 443 Y HA 0.350 4.900 4.550 0.000 0.000 0.341 443 Y C 0.342 176.134 175.900 -0.180 0.000 0.965 443 Y CA -0.697 57.360 58.100 -0.072 0.000 1.067 443 Y CB 1.603 40.011 38.460 -0.086 0.000 1.199 443 Y HN 0.482 nan 8.280 nan 0.000 0.450 444 S N 4.562 120.262 115.700 -0.001 0.000 2.481 444 S HA 0.356 4.826 4.470 0.000 0.000 0.276 444 S C -0.346 174.087 174.600 -0.279 0.000 1.247 444 S CA -0.375 57.750 58.200 -0.125 0.000 1.053 444 S CB -0.124 63.057 63.200 -0.032 0.000 0.925 444 S HN 0.292 nan 8.310 nan 0.000 0.491 445 I N 4.424 124.615 120.570 -0.632 0.000 2.306 445 I HA 0.285 4.455 4.170 0.000 0.000 0.288 445 I C 0.552 176.373 176.117 -0.494 0.000 1.036 445 I CA -0.265 60.485 61.300 -0.916 0.000 1.221 445 I CB 0.276 37.324 38.000 -1.587 0.000 1.385 445 I HN 0.582 nan 8.210 nan 0.000 0.472 446 S N 2.779 118.431 115.700 -0.080 0.000 2.566 446 S HA 0.813 5.283 4.470 0.000 0.000 0.298 446 S C 0.653 175.397 174.600 0.241 0.000 1.083 446 S CA -0.039 58.197 58.200 0.060 0.000 0.978 446 S CB 2.216 65.463 63.200 0.077 0.000 1.073 446 S HN 1.119 nan 8.310 nan 0.000 0.491 447 G N -0.126 108.773 108.800 0.166 0.000 2.143 447 G HA2 -0.210 3.750 3.960 0.000 0.000 0.249 447 G HA3 -0.210 3.750 3.960 0.000 0.000 0.249 447 G C -0.262 174.772 174.900 0.224 0.000 0.981 447 G CA 0.190 45.397 45.100 0.177 0.000 0.665 447 G HN 1.159 nan 8.290 nan 0.000 0.528 448 L N 1.201 122.557 121.223 0.221 0.000 2.360 448 L HA 0.592 4.933 4.340 0.000 0.000 0.276 448 L C 0.304 177.249 176.870 0.125 0.000 1.121 448 L CA -0.283 54.693 54.840 0.227 0.000 0.845 448 L CB 0.799 42.959 42.059 0.169 0.000 1.143 448 L HN 0.258 nan 8.230 nan 0.000 0.452 449 Q N 3.263 123.133 119.800 0.117 0.000 2.297 449 Q HA 0.608 4.948 4.340 0.000 0.000 0.268 449 Q C -0.580 175.447 176.000 0.045 0.000 1.045 449 Q CA -0.476 55.366 55.803 0.064 0.000 0.861 449 Q CB 2.118 30.892 28.738 0.060 0.000 1.344 449 Q HN 0.738 nan 8.270 nan 0.000 0.452 450 T N -1.578 112.982 114.554 0.010 0.000 2.802 450 T HA 0.548 4.898 4.350 0.000 0.000 0.311 450 T C -0.805 173.882 174.700 -0.022 0.000 1.405 450 T CA 0.217 62.309 62.100 -0.013 0.000 1.016 450 T CB 1.304 70.132 68.868 -0.067 0.000 1.352 450 T HN 0.501 nan 8.240 nan 0.000 0.498 451 A N 2.328 125.134 122.820 -0.023 0.000 2.275 451 A HA 0.481 4.801 4.320 0.000 0.000 0.212 451 A C 0.809 178.361 177.584 -0.053 0.000 1.201 451 A CA -0.093 51.931 52.037 -0.023 0.000 0.843 451 A CB -0.511 18.489 19.000 0.000 0.000 0.873 451 A HN 0.702 nan 8.150 nan 0.000 0.492 452 L N 1.397 122.562 121.223 -0.097 0.000 2.485 452 L HA 0.152 4.492 4.340 0.000 0.000 0.275 452 L C -2.035 174.766 176.870 -0.115 0.000 1.207 452 L CA -1.509 53.239 54.840 -0.154 0.000 0.855 452 L CB 0.249 42.090 42.059 -0.362 0.000 1.114 452 L HN 0.118 nan 8.230 nan 0.000 0.485 453 P HA 0.069 nan 4.420 nan 0.000 0.272 453 P C -0.895 176.406 177.300 0.002 0.000 1.230 453 P CA -0.519 62.482 63.100 -0.166 0.000 0.788 453 P CB 0.322 31.771 31.700 -0.418 0.000 0.949 454 N N 0.281 118.969 118.700 -0.021 0.000 2.353 454 N HA 0.370 5.110 4.740 0.000 0.000 0.248 454 N C 0.792 176.303 175.510 0.001 0.000 1.240 454 N CA 1.294 54.350 53.050 0.009 0.000 0.862 454 N CB -0.213 38.263 38.487 -0.018 0.000 1.086 454 N HN 0.738 nan 8.380 nan 0.000 0.453 455 G N -0.631 108.170 108.800 0.003 0.000 2.369 455 G HA2 0.091 4.051 3.960 0.000 0.000 0.307 455 G HA3 0.091 4.051 3.960 0.000 0.000 0.307 455 G C -1.482 173.339 174.900 -0.131 0.000 1.327 455 G CA -0.828 44.197 45.100 -0.124 0.000 0.963 455 G HN 0.435 nan 8.290 nan 0.000 0.590 456 S N -0.287 115.273 115.700 -0.234 0.000 2.462 456 S HA 0.716 5.186 4.470 0.000 0.000 0.294 456 S C -1.282 173.143 174.600 -0.292 0.000 1.144 456 S CA -0.221 57.885 58.200 -0.156 0.000 1.088 456 S CB 0.889 64.029 63.200 -0.100 0.000 1.009 456 S HN 0.451 nan 8.310 nan 0.000 0.484 457 Y N 1.212 121.486 120.300 -0.044 0.000 2.350 457 Y HA 0.581 5.131 4.550 0.000 0.000 0.338 457 Y C 0.399 176.387 175.900 0.146 0.000 0.961 457 Y CA -0.816 57.323 58.100 0.064 0.000 1.100 457 Y CB 1.200 39.715 38.460 0.092 0.000 1.179 457 Y HN 0.758 nan 8.280 nan 0.000 0.454 458 A N 1.795 124.780 122.820 0.275 0.000 2.304 458 A HA 0.311 4.631 4.320 0.000 0.000 0.271 458 A C -0.393 177.386 177.584 0.326 0.000 1.091 458 A CA -0.572 51.606 52.037 0.236 0.000 0.812 458 A CB 0.252 19.318 19.000 0.109 0.000 1.056 458 A HN 0.749 nan 8.150 nan 0.000 0.489 459 D N -0.099 120.430 120.400 0.215 0.000 2.450 459 D HA -0.058 4.582 4.640 0.000 0.000 0.247 459 D C 0.612 176.925 176.300 0.022 0.000 1.162 459 D CA 0.400 54.406 54.000 0.011 0.000 0.879 459 D CB 0.129 40.903 40.800 -0.044 0.000 1.163 459 D HN 0.483 nan 8.370 nan 0.000 0.472 460 Y N 3.336 123.558 120.300 -0.130 0.000 2.333 460 Y HA -0.045 4.505 4.550 0.000 0.000 0.290 460 Y C 1.535 177.381 175.900 -0.090 0.000 1.144 460 Y CA 1.275 59.326 58.100 -0.082 0.000 1.228 460 Y CB 0.126 38.526 38.460 -0.099 0.000 0.985 460 Y HN 0.526 nan 8.280 nan 0.000 0.542 461 L N -0.566 120.649 121.223 -0.013 0.000 2.599 461 L HA -0.015 4.325 4.340 0.000 0.000 0.230 461 L C 1.039 177.861 176.870 -0.079 0.000 1.141 461 L CA 0.684 55.490 54.840 -0.057 0.000 0.877 461 L CB -0.312 41.713 42.059 -0.057 0.000 1.009 461 L HN 0.037 nan 8.230 nan 0.000 0.447 462 S N 0.291 115.944 115.700 -0.078 0.000 3.587 462 S HA -0.228 4.242 4.470 0.000 0.000 0.337 462 S C 1.299 175.880 174.600 -0.031 0.000 1.119 462 S CA 0.633 58.799 58.200 -0.056 0.000 0.976 462 S CB -1.684 61.472 63.200 -0.075 0.000 0.922 462 S HN 0.854 nan 8.310 nan 0.000 0.503 463 G N -0.581 108.204 108.800 -0.025 0.000 2.148 463 G HA2 -0.372 3.588 3.960 0.000 0.000 0.254 463 G HA3 -0.372 3.588 3.960 0.000 0.000 0.254 463 G C 0.645 175.537 174.900 -0.012 0.000 0.981 463 G CA 0.660 45.755 45.100 -0.008 0.000 0.670 463 G HN 0.946 nan 8.290 nan 0.000 0.528 464 L N -0.159 121.046 121.223 -0.030 0.000 2.042 464 L HA 0.164 4.504 4.340 0.000 0.000 0.210 464 L C 2.072 178.924 176.870 -0.029 0.000 1.076 464 L CA 2.354 57.173 54.840 -0.035 0.000 0.749 464 L CB -0.109 41.916 42.059 -0.058 0.000 0.893 464 L HN 0.401 nan 8.230 nan 0.000 0.432 465 L N -0.688 120.519 121.223 -0.027 0.000 2.984 465 L HA 0.385 4.725 4.340 0.000 0.000 0.246 465 L C 1.162 178.052 176.870 0.033 0.000 1.268 465 L CA 0.299 55.143 54.840 0.006 0.000 1.054 465 L CB -0.383 41.674 42.059 -0.004 0.000 1.393 465 L HN 0.453 nan 8.230 nan 0.000 0.532 466 G N -0.155 108.664 108.800 0.031 0.000 2.143 466 G HA2 -0.234 3.726 3.960 0.000 0.000 0.249 466 G HA3 -0.234 3.726 3.960 0.000 0.000 0.249 466 G C 0.607 175.538 174.900 0.052 0.000 0.981 466 G CA -0.111 45.019 45.100 0.049 0.000 0.665 466 G HN 0.552 nan 8.290 nan 0.000 0.528 467 G N 0.067 108.877 108.800 0.017 0.000 2.667 467 G HA2 0.521 4.481 3.960 0.000 0.000 0.250 467 G HA3 0.521 4.481 3.960 0.000 0.000 0.250 467 G C 0.171 175.112 174.900 0.067 0.000 1.212 467 G CA 0.345 45.449 45.100 0.006 0.000 0.874 467 G HN 1.111 nan 8.290 nan 0.000 0.561 468 N N -0.900 117.883 118.700 0.139 0.000 2.697 468 N HA 0.539 5.279 4.740 0.000 0.000 0.272 468 N C -0.177 175.499 175.510 0.276 0.000 1.381 468 N CA -0.591 52.559 53.050 0.166 0.000 0.797 468 N CB 1.472 40.057 38.487 0.163 0.000 1.523 468 N HN 0.670 nan 8.380 nan 0.000 0.518 469 G N -0.345 108.548 108.800 0.156 0.000 2.451 469 G HA2 0.606 4.567 3.960 0.000 0.000 0.303 469 G HA3 0.606 4.567 3.960 0.000 0.000 0.303 469 G C 0.055 174.875 174.900 -0.134 0.000 1.166 469 G CA -0.857 44.323 45.100 0.133 0.000 0.884 469 G HN 0.737 nan 8.290 nan 0.000 0.514 470 I N -2.132 118.246 120.570 -0.320 0.000 3.042 470 I HA 0.809 4.979 4.170 0.000 0.000 0.310 470 I C -0.567 175.406 176.117 -0.240 0.000 1.117 470 I CA -1.132 59.848 61.300 -0.534 0.000 1.003 470 I CB 2.513 39.824 38.000 -1.148 0.000 1.228 470 I HN 0.459 nan 8.210 nan 0.000 0.443 471 S N 2.361 117.947 115.700 -0.190 0.000 2.519 471 S HA 0.733 5.203 4.470 0.000 0.000 0.309 471 S C -1.006 173.557 174.600 -0.062 0.000 1.100 471 S CA -0.442 57.713 58.200 -0.075 0.000 1.059 471 S CB 1.456 64.626 63.200 -0.050 0.000 1.008 471 S HN 0.503 nan 8.310 nan 0.000 0.478 472 V N 3.997 123.914 119.914 0.005 0.000 2.459 472 V HA 0.746 4.866 4.120 0.000 0.000 0.295 472 V C -0.082 176.018 176.094 0.009 0.000 1.029 472 V CA -0.589 61.712 62.300 0.003 0.000 0.874 472 V CB 1.637 33.492 31.823 0.053 0.000 0.985 472 V HN 0.847 nan 8.190 nan 0.000 0.438 473 S N 4.449 120.146 115.700 -0.005 0.000 2.733 473 S HA 0.430 4.900 4.470 0.000 0.000 0.294 473 S C -0.013 174.584 174.600 -0.004 0.000 1.149 473 S CA -0.621 57.577 58.200 -0.004 0.000 1.034 473 S CB 0.377 63.575 63.200 -0.004 0.000 1.015 473 S HN 0.836 nan 8.310 nan 0.000 0.486 474 N N 3.207 121.903 118.700 -0.006 0.000 2.714 474 N HA -0.197 4.544 4.740 0.000 0.000 0.252 474 N C 0.898 176.404 175.510 -0.005 0.000 1.014 474 N CA 1.614 54.660 53.050 -0.006 0.000 0.735 474 N CB -1.539 36.946 38.487 -0.002 0.000 0.924 474 N HN 1.557 nan 8.380 nan 0.000 0.540 475 G N -1.907 106.886 108.800 -0.011 0.000 2.179 475 G HA2 -0.295 3.665 3.960 0.000 0.000 0.260 475 G HA3 -0.295 3.665 3.960 0.000 0.000 0.260 475 G C -0.007 174.889 174.900 -0.005 0.000 0.977 475 G CA 0.660 45.754 45.100 -0.011 0.000 0.641 475 G HN 0.949 nan 8.290 nan 0.000 0.533 476 S N -0.547 115.150 115.700 -0.004 0.000 2.454 476 S HA 0.671 5.141 4.470 0.000 0.000 0.306 476 S C 0.104 174.697 174.600 -0.012 0.000 1.100 476 S CA -0.312 57.891 58.200 0.005 0.000 1.087 476 S CB 1.712 64.921 63.200 0.015 0.000 1.019 476 S HN 0.836 nan 8.310 nan 0.000 0.480 477 V N 4.679 124.587 119.914 -0.009 0.000 2.432 477 V HA 0.574 4.694 4.120 0.000 0.000 0.275 477 V C 0.884 176.991 176.094 0.021 0.000 1.043 477 V CA -0.733 61.542 62.300 -0.041 0.000 0.925 477 V CB 0.706 32.484 31.823 -0.074 0.000 0.985 477 V HN 1.073 nan 8.190 nan 0.000 0.466 478 A N 4.387 127.211 122.820 0.006 0.000 2.531 478 A HA 0.332 4.652 4.320 0.000 0.000 0.236 478 A C 0.849 178.504 177.584 0.119 0.000 1.062 478 A CA 0.024 52.087 52.037 0.043 0.000 0.760 478 A CB -0.036 18.976 19.000 0.019 0.000 0.995 478 A HN 0.838 nan 8.150 nan 0.000 0.501 479 S N 0.704 116.453 115.700 0.081 0.000 2.558 479 S HA 0.427 4.897 4.470 0.000 0.000 0.288 479 S C -0.267 174.410 174.600 0.128 0.000 1.318 479 S CA 0.756 58.984 58.200 0.046 0.000 1.056 479 S CB -0.382 62.819 63.200 0.002 0.000 0.853 479 S HN 0.904 nan 8.310 nan 0.000 0.505 480 F N -1.123 118.786 119.950 -0.069 0.000 2.711 480 F HA 0.671 5.198 4.527 0.000 0.000 0.313 480 F C -0.642 175.134 175.800 -0.041 0.000 1.141 480 F CA -1.144 56.826 58.000 -0.051 0.000 0.941 480 F CB 0.866 39.827 39.000 -0.065 0.000 1.349 480 F HN 0.251 nan 8.300 nan 0.000 0.464 481 T N 3.028 117.657 114.554 0.125 0.000 2.767 481 T HA 0.510 4.860 4.350 0.000 0.000 0.284 481 T C -1.035 173.777 174.700 0.187 0.000 0.973 481 T CA -0.290 61.826 62.100 0.026 0.000 0.996 481 T CB 1.145 70.045 68.868 0.054 0.000 0.927 481 T HN 0.676 nan 8.240 nan 0.000 0.456 482 L N 4.447 125.708 121.223 0.064 0.000 2.260 482 L HA 0.674 5.014 4.340 0.000 0.000 0.289 482 L C 0.477 177.436 176.870 0.149 0.000 1.057 482 L CA -0.372 54.590 54.840 0.204 0.000 0.811 482 L CB -0.138 42.009 42.059 0.146 0.000 1.184 482 L HN 0.774 nan 8.230 nan 0.000 0.429 483 A N 6.925 129.836 122.820 0.151 0.000 2.429 483 A HA 0.500 4.820 4.320 0.000 0.000 0.242 483 A C -2.293 175.356 177.584 0.109 0.000 1.088 483 A CA -0.989 51.111 52.037 0.106 0.000 0.784 483 A CB -0.782 18.277 19.000 0.099 0.000 1.038 483 A HN 0.678 nan 8.150 nan 0.000 0.501 484 P HA 0.232 nan 4.420 nan 0.000 0.262 484 P C 0.820 178.193 177.300 0.122 0.000 1.199 484 P CA 1.766 64.920 63.100 0.090 0.000 0.763 484 P CB 0.380 32.112 31.700 0.055 0.000 0.790 485 G N 2.271 111.170 108.800 0.165 0.000 2.168 485 G HA2 -0.185 3.775 3.960 0.000 0.000 0.257 485 G HA3 -0.185 3.775 3.960 0.000 0.000 0.257 485 G C 0.455 175.456 174.900 0.167 0.000 0.997 485 G CA 0.086 45.296 45.100 0.184 0.000 0.708 485 G HN 0.846 nan 8.290 nan 0.000 0.520 486 A N -1.014 121.898 122.820 0.153 0.000 2.304 486 A HA 0.771 5.091 4.320 0.000 0.000 0.271 486 A C 0.222 177.867 177.584 0.102 0.000 1.091 486 A CA 0.212 52.320 52.037 0.119 0.000 0.812 486 A CB 1.388 20.459 19.000 0.117 0.000 1.056 486 A HN 1.173 nan 8.150 nan 0.000 0.489 487 V N 1.151 121.090 119.914 0.043 0.000 2.483 487 V HA 0.606 4.726 4.120 0.000 0.000 0.297 487 V C 0.017 176.029 176.094 -0.137 0.000 1.027 487 V CA -0.312 61.972 62.300 -0.025 0.000 0.855 487 V CB 1.507 33.318 31.823 -0.020 0.000 0.995 487 V HN 0.908 nan 8.190 nan 0.000 0.424 488 S N 3.507 119.027 115.700 -0.299 0.000 2.538 488 S HA 0.858 5.328 4.470 0.000 0.000 0.288 488 S C -1.184 172.783 174.600 -1.055 0.000 1.108 488 S CA -0.417 57.415 58.200 -0.613 0.000 0.971 488 S CB 1.817 64.688 63.200 -0.548 0.000 1.041 488 S HN 0.477 nan 8.310 nan 0.000 0.483 489 V N 5.121 124.411 119.914 -1.040 0.000 2.577 489 V HA 0.611 4.731 4.120 0.000 0.000 0.303 489 V C -1.191 174.443 176.094 -0.766 0.000 1.042 489 V CA -0.632 61.176 62.300 -0.820 0.000 0.872 489 V CB 1.734 33.328 31.823 -0.382 0.000 0.998 489 V HN 0.828 nan 8.190 nan 0.000 0.423 490 W N 4.242 125.481 121.300 -0.102 0.000 2.600 490 W HA 0.714 5.374 4.660 0.000 0.000 0.325 490 W C -0.339 176.102 176.519 -0.130 0.000 1.034 490 W CA -0.725 56.567 57.345 -0.089 0.000 1.226 490 W CB 2.106 31.436 29.460 -0.217 0.000 1.379 490 W HN 0.704 nan 8.180 nan 0.000 0.466 491 Q N 1.584 121.499 119.800 0.192 0.000 2.456 491 Q HA 0.710 5.050 4.340 0.000 0.000 0.283 491 Q C -2.053 174.138 176.000 0.317 0.000 1.084 491 Q CA -0.997 54.876 55.803 0.118 0.000 0.801 491 Q CB 3.212 31.917 28.738 -0.055 0.000 1.434 491 Q HN 0.340 nan 8.270 nan 0.000 0.419 492 Y N 0.736 121.106 120.300 0.116 0.000 2.470 492 Y HA 0.715 5.266 4.550 0.000 0.000 0.341 492 Y C -1.607 174.355 175.900 0.103 0.000 1.021 492 Y CA -0.149 58.057 58.100 0.178 0.000 1.025 492 Y CB 2.236 40.824 38.460 0.212 0.000 1.266 492 Y HN 1.031 nan 8.280 nan 0.000 0.448 493 S N 3.571 118.886 115.700 -0.642 0.000 2.556 493 S HA 0.857 5.327 4.470 0.000 0.000 0.271 493 S C -1.055 173.178 174.600 -0.612 0.000 1.135 493 S CA -0.604 57.328 58.200 -0.446 0.000 0.858 493 S CB 2.170 65.263 63.200 -0.178 0.000 1.114 493 S HN 0.872 nan 8.310 nan 0.000 0.468 494 T N 0.612 114.983 114.554 -0.306 0.000 2.802 494 T HA 0.643 4.993 4.350 0.000 0.000 0.311 494 T C -0.654 174.013 174.700 -0.055 0.000 1.405 494 T CA -0.230 61.761 62.100 -0.183 0.000 1.016 494 T CB 1.354 70.156 68.868 -0.109 0.000 1.352 494 T HN 1.363 nan 8.240 nan 0.000 0.498 495 S N 1.598 117.278 115.700 -0.033 0.000 2.579 495 S HA 0.633 5.103 4.470 0.000 0.000 0.275 495 S C 0.442 175.036 174.600 -0.010 0.000 1.345 495 S CA -0.496 57.691 58.200 -0.021 0.000 1.031 495 S CB 0.605 63.795 63.200 -0.017 0.000 0.892 495 S HN 1.055 nan 8.310 nan 0.000 0.529 496 A N 1.556 124.356 122.820 -0.033 0.000 2.316 496 A HA 0.578 4.898 4.320 0.000 0.000 0.284 496 A C 1.022 178.578 177.584 -0.048 0.000 1.115 496 A CA -0.322 51.680 52.037 -0.059 0.000 0.812 496 A CB 0.473 19.399 19.000 -0.124 0.000 1.064 496 A HN 1.301 nan 8.150 nan 0.000 0.489 497 S N 0.221 115.894 115.700 -0.046 0.000 2.540 497 S HA 0.564 5.034 4.470 0.000 0.000 0.218 497 S C 0.427 175.009 174.600 -0.029 0.000 0.977 497 S CA 0.397 58.584 58.200 -0.022 0.000 0.918 497 S CB -0.167 63.030 63.200 -0.005 0.000 0.806 497 S HN 1.766 nan 8.310 nan 0.000 0.496 498 A N 1.761 124.538 122.820 -0.071 0.000 2.594 498 A HA 0.793 5.113 4.320 0.000 0.000 0.291 498 A C -3.253 174.273 177.584 -0.095 0.000 1.105 498 A CA -1.921 50.078 52.037 -0.063 0.000 0.694 498 A CB 0.730 19.681 19.000 -0.082 0.000 1.291 498 A HN 0.134 nan 8.150 nan 0.000 0.410 499 P HA 0.280 nan 4.420 nan 0.000 0.271 499 P C -1.249 176.018 177.300 -0.055 0.000 1.226 499 P CA 0.395 63.555 63.100 0.100 0.000 0.765 499 P CB 0.539 32.392 31.700 0.255 0.000 0.835 500 Q N 2.904 122.648 119.800 -0.093 0.000 2.303 500 Q HA 0.469 4.809 4.340 0.000 0.000 0.267 500 Q C -0.376 175.736 176.000 0.187 0.000 1.011 500 Q CA -0.521 55.151 55.803 -0.217 0.000 0.740 500 Q CB 1.813 30.173 28.738 -0.630 0.000 1.250 500 Q HN 0.465 nan 8.270 nan 0.000 0.458 501 I N 1.436 122.171 120.570 0.275 0.000 2.371 501 I HA 0.166 4.336 4.170 0.000 0.000 0.290 501 I C 1.081 177.291 176.117 0.155 0.000 1.028 501 I CA 0.153 61.582 61.300 0.214 0.000 1.345 501 I CB 1.167 39.245 38.000 0.130 0.000 1.407 501 I HN 0.873 nan 8.210 nan 0.000 0.501 502 G N 3.650 112.182 108.800 -0.446 0.000 2.608 502 G HA2 0.048 4.008 3.960 0.000 0.000 0.210 502 G HA3 0.048 4.008 3.960 0.000 0.000 0.210 502 G C 0.395 174.865 174.900 -0.717 0.000 1.139 502 G CA 0.223 44.556 45.100 -1.278 0.000 0.812 502 G HN 0.524 nan 8.290 nan 0.000 0.529 503 S N -1.022 114.269 115.700 -0.681 0.000 2.533 503 S HA 0.563 5.033 4.470 0.000 0.000 0.271 503 S C -1.794 172.299 174.600 -0.844 0.000 1.143 503 S CA -0.478 57.311 58.200 -0.685 0.000 0.891 503 S CB 1.972 65.037 63.200 -0.224 0.000 1.105 503 S HN 0.142 nan 8.310 nan 0.000 0.468 504 V N 3.103 122.283 119.914 -1.222 0.000 2.444 504 V HA 0.930 5.050 4.120 0.000 0.000 0.294 504 V C 0.113 176.019 176.094 -0.313 0.000 1.022 504 V CA -0.078 61.848 62.300 -0.624 0.000 0.850 504 V CB 0.945 32.481 31.823 -0.478 0.000 0.992 504 V HN 1.163 nan 8.190 nan 0.000 0.426 505 A N 6.810 129.517 122.820 -0.188 0.000 2.572 505 A HA 1.013 5.334 4.320 0.000 0.000 0.295 505 A C -3.085 174.438 177.584 -0.103 0.000 1.072 505 A CA -1.710 50.259 52.037 -0.113 0.000 0.691 505 A CB 2.124 21.086 19.000 -0.064 0.000 1.291 505 A HN 0.569 nan 8.150 nan 0.000 0.404 506 P HA 0.137 nan 4.420 nan 0.000 0.273 506 P C -0.043 177.151 177.300 -0.176 0.000 1.258 506 P CA 0.081 62.967 63.100 -0.357 0.000 0.802 506 P CB 0.341 31.355 31.700 -1.143 0.000 1.040 507 N N -1.529 116.980 118.700 -0.318 0.000 2.280 507 N HA 0.206 4.946 4.740 0.000 0.000 0.192 507 N C 0.384 175.592 175.510 -0.502 0.000 1.109 507 N CA 0.104 52.961 53.050 -0.322 0.000 0.855 507 N CB 0.090 38.248 38.487 -0.549 0.000 0.974 507 N HN 0.343 nan 8.380 nan 0.000 0.482 508 M N -0.157 119.125 119.600 -0.530 0.000 2.520 508 M HA 0.575 5.055 4.480 0.000 0.000 0.280 508 M C -1.580 174.564 176.300 -0.260 0.000 1.232 508 M CA -0.481 54.518 55.300 -0.501 0.000 0.892 508 M CB 2.032 34.550 32.600 -0.136 0.000 1.728 508 M HN 0.096 nan 8.290 nan 0.000 0.475 509 G N 2.480 111.207 108.800 -0.121 0.000 2.321 509 G HA2 0.458 4.418 3.960 0.000 0.000 0.296 509 G HA3 0.458 4.418 3.960 0.000 0.000 0.296 509 G C -2.063 172.931 174.900 0.156 0.000 1.287 509 G CA -0.557 44.633 45.100 0.150 0.000 0.846 509 G HN 1.111 nan 8.290 nan 0.000 0.508 510 I N -2.259 118.405 120.570 0.157 0.000 2.910 510 I HA 0.764 4.934 4.170 0.000 0.000 0.310 510 I C -2.705 173.468 176.117 0.093 0.000 1.043 510 I CA -3.024 58.343 61.300 0.111 0.000 1.053 510 I CB 2.187 40.233 38.000 0.076 0.000 1.242 510 I HN 0.203 nan 8.210 nan 0.000 0.452 511 P HA 0.085 nan 4.420 nan 0.000 0.261 511 P C 0.730 178.037 177.300 0.012 0.000 1.173 511 P CA 1.486 64.585 63.100 -0.001 0.000 0.760 511 P CB 0.478 32.172 31.700 -0.011 0.000 0.783 512 G N 2.169 110.975 108.800 0.010 0.000 2.258 512 G HA2 -0.234 3.726 3.960 0.000 0.000 0.233 512 G HA3 -0.234 3.726 3.960 0.000 0.000 0.233 512 G C 0.325 175.312 174.900 0.146 0.000 1.006 512 G CA -0.343 44.787 45.100 0.049 0.000 0.620 512 G HN 0.593 nan 8.290 nan 0.000 0.511 513 N N 0.125 118.892 118.700 0.111 0.000 2.416 513 N HA 0.362 5.102 4.740 0.000 0.000 0.246 513 N C 0.136 175.699 175.510 0.088 0.000 1.260 513 N CA 0.065 53.188 53.050 0.122 0.000 0.897 513 N CB 1.243 39.809 38.487 0.131 0.000 1.110 513 N HN 0.090 nan 8.380 nan 0.000 0.439 514 V N 2.448 122.389 119.914 0.044 0.000 2.461 514 V HA 0.209 4.329 4.120 0.000 0.000 0.275 514 V C 0.234 176.271 176.094 -0.093 0.000 1.047 514 V CA -0.243 61.993 62.300 -0.107 0.000 0.955 514 V CB 1.259 33.014 31.823 -0.114 0.000 0.988 514 V HN 0.302 nan 8.190 nan 0.000 0.471 515 V N 4.016 123.842 119.914 -0.147 0.000 2.735 515 V HA 0.521 4.641 4.120 0.000 0.000 0.310 515 V C 0.033 176.030 176.094 -0.161 0.000 1.061 515 V CA -0.425 61.793 62.300 -0.138 0.000 0.913 515 V CB 2.607 34.318 31.823 -0.187 0.000 1.005 515 V HN 0.918 nan 8.190 nan 0.000 0.428 516 T N 5.519 119.981 114.554 -0.154 0.000 2.797 516 T HA 0.641 4.991 4.350 0.000 0.000 0.279 516 T C -0.365 174.212 174.700 -0.205 0.000 0.991 516 T CA -0.150 61.851 62.100 -0.165 0.000 0.979 516 T CB 0.990 69.787 68.868 -0.119 0.000 0.943 516 T HN 0.387 nan 8.240 nan 0.000 0.444 517 I N 3.389 123.816 120.570 -0.239 0.000 2.330 517 I HA 0.322 4.492 4.170 0.000 0.000 0.289 517 I C -0.155 175.887 176.117 -0.125 0.000 1.001 517 I CA -0.611 60.525 61.300 -0.273 0.000 1.193 517 I CB 0.972 38.724 38.000 -0.414 0.000 1.345 517 I HN 0.459 nan 8.210 nan 0.000 0.461 518 D N 5.223 125.559 120.400 -0.107 0.000 2.192 518 D HA 0.696 5.336 4.640 0.000 0.000 0.246 518 D C 0.194 176.439 176.300 -0.091 0.000 1.042 518 D CA 0.058 54.048 54.000 -0.016 0.000 0.847 518 D CB 2.648 43.450 40.800 0.004 0.000 1.186 518 D HN 0.783 nan 8.370 nan 0.000 0.461 519 G N 1.210 109.943 108.800 -0.113 0.000 2.485 519 G HA2 0.336 4.296 3.960 0.000 0.000 0.182 519 G HA3 0.336 4.296 3.960 0.000 0.000 0.182 519 G C -1.380 173.204 174.900 -0.527 0.000 1.172 519 G CA -0.566 44.342 45.100 -0.320 0.000 0.996 519 G HN 0.346 nan 8.290 nan 0.000 0.496 520 K N -1.104 118.876 120.400 -0.700 0.000 2.509 520 K HA 0.555 4.875 4.320 0.000 0.000 0.266 520 K C 0.328 176.527 176.600 -0.668 0.000 0.987 520 K CA -0.350 55.601 56.287 -0.560 0.000 0.868 520 K CB 2.427 34.856 32.500 -0.119 0.000 1.421 520 K HN 1.930 nan 8.250 nan 0.000 0.444 521 G N 0.828 109.395 108.800 -0.389 0.000 2.160 521 G HA2 -0.244 3.716 3.960 0.000 0.000 0.251 521 G HA3 -0.244 3.716 3.960 0.000 0.000 0.251 521 G C 0.149 175.059 174.900 0.016 0.000 1.008 521 G CA 0.237 45.235 45.100 -0.169 0.000 0.724 521 G HN 0.428 nan 8.290 nan 0.000 0.514 522 F N 0.959 120.912 119.950 0.005 0.000 2.615 522 F HA 0.422 4.949 4.527 0.000 0.000 0.297 522 F C 1.976 177.984 175.800 0.346 0.000 1.124 522 F CA 0.665 58.713 58.000 0.080 0.000 1.451 522 F CB -0.622 38.224 39.000 -0.258 0.000 1.103 522 F HN 1.099 nan 8.300 nan 0.000 0.569 523 G N 0.180 109.203 108.800 0.371 0.000 2.781 523 G HA2 -0.204 3.756 3.960 0.000 0.000 0.683 523 G HA3 -0.204 3.756 3.960 0.000 0.000 0.683 523 G C 0.735 175.874 174.900 0.399 0.000 1.390 523 G CA -0.037 45.251 45.100 0.313 0.000 0.850 523 G HN 0.369 nan 8.290 nan 0.000 0.557 524 T N -3.104 111.586 114.554 0.227 0.000 3.051 524 T HA 0.300 4.650 4.350 0.000 0.000 0.255 524 T C 1.215 175.982 174.700 0.111 0.000 1.085 524 T CA 1.646 63.869 62.100 0.205 0.000 1.109 524 T CB 0.110 69.044 68.868 0.110 0.000 0.921 524 T HN 0.924 nan 8.240 nan 0.000 0.488 525 T N 3.115 117.667 114.554 -0.003 0.000 2.780 525 T HA 0.278 4.628 4.350 0.000 0.000 0.294 525 T C -0.200 174.157 174.700 -0.571 0.000 0.949 525 T CA -0.484 61.507 62.100 -0.182 0.000 1.074 525 T CB 1.417 70.207 68.868 -0.130 0.000 0.910 525 T HN 0.402 nan 8.240 nan 0.000 0.501 526 Q N 2.121 121.483 119.800 -0.731 0.000 2.263 526 Q HA 0.306 4.646 4.340 0.000 0.000 0.289 526 Q C 0.688 175.963 176.000 -1.208 0.000 1.061 526 Q CA -0.143 54.852 55.803 -1.347 0.000 0.927 526 Q CB 0.247 28.611 28.738 -0.622 0.000 1.154 526 Q HN 0.912 nan 8.270 nan 0.000 0.378 527 G N 2.242 109.874 108.800 -1.947 0.000 3.134 527 G HA2 0.506 4.466 3.960 0.000 0.000 0.158 527 G HA3 0.506 4.466 3.960 0.000 0.000 0.158 527 G C -0.728 173.906 174.900 -0.444 0.000 1.334 527 G CA 0.192 44.802 45.100 -0.818 0.000 1.001 527 G HN 0.709 nan 8.290 nan 0.000 0.600 528 T N -3.045 111.501 114.554 -0.013 0.000 2.906 528 T HA 0.655 5.006 4.350 0.000 0.000 0.295 528 T C -1.245 173.588 174.700 0.221 0.000 1.061 528 T CA -0.653 61.514 62.100 0.111 0.000 1.000 528 T CB 1.977 70.872 68.868 0.045 0.000 1.103 528 T HN 0.502 nan 8.240 nan 0.000 0.486 529 V N 2.195 122.213 119.914 0.173 0.000 2.588 529 V HA 0.780 4.900 4.120 0.000 0.000 0.304 529 V C 0.116 176.285 176.094 0.124 0.000 1.042 529 V CA -0.718 61.642 62.300 0.100 0.000 0.877 529 V CB 1.993 33.860 31.823 0.074 0.000 0.996 529 V HN 1.319 nan 8.190 nan 0.000 0.425 530 T N 0.719 115.327 114.554 0.089 0.000 2.908 530 T HA 0.782 5.132 4.350 0.000 0.000 0.290 530 T C -1.098 173.702 174.700 0.166 0.000 1.034 530 T CA -0.529 61.663 62.100 0.154 0.000 1.010 530 T CB 1.749 70.676 68.868 0.097 0.000 1.068 530 T HN 0.149 nan 8.240 nan 0.000 0.481 531 F N 1.324 121.277 119.950 0.004 0.000 2.382 531 F HA 0.611 5.138 4.527 0.000 0.000 0.361 531 F C 1.320 177.144 175.800 0.040 0.000 1.109 531 F CA -0.659 57.352 58.000 0.019 0.000 1.031 531 F CB 1.073 40.078 39.000 0.008 0.000 1.234 531 F HN 1.131 nan 8.300 nan 0.000 0.445 532 G N 1.903 110.802 108.800 0.166 0.000 2.283 532 G HA2 0.027 3.987 3.960 0.000 0.000 0.280 532 G HA3 0.027 3.987 3.960 0.000 0.000 0.280 532 G C 1.173 176.135 174.900 0.103 0.000 1.029 532 G CA 0.587 45.762 45.100 0.124 0.000 0.840 532 G HN 1.799 nan 8.290 nan 0.000 0.505 533 G N -3.206 105.651 108.800 0.096 0.000 2.199 533 G HA2 -0.079 3.882 3.960 0.000 0.000 0.254 533 G HA3 -0.079 3.882 3.960 0.000 0.000 0.254 533 G C 0.471 175.421 174.900 0.083 0.000 0.982 533 G CA 0.481 45.627 45.100 0.077 0.000 0.632 533 G HN 1.673 nan 8.290 nan 0.000 0.529 534 V N 2.476 122.456 119.914 0.110 0.000 2.432 534 V HA 0.460 4.580 4.120 0.000 0.000 0.271 534 V C 1.063 177.221 176.094 0.108 0.000 1.046 534 V CA 0.160 62.515 62.300 0.092 0.000 0.945 534 V CB 1.232 33.102 31.823 0.079 0.000 0.992 534 V HN 0.303 nan 8.190 nan 0.000 0.471 535 T N 5.184 119.782 114.554 0.074 0.000 2.902 535 T HA 0.403 4.753 4.350 0.000 0.000 0.301 535 T C 0.371 175.112 174.700 0.069 0.000 1.012 535 T CA 0.170 62.317 62.100 0.078 0.000 1.151 535 T CB 0.740 69.638 68.868 0.051 0.000 0.946 535 T HN 0.944 nan 8.240 nan 0.000 0.542 536 A N 3.357 126.240 122.820 0.105 0.000 2.312 536 A HA 0.619 4.939 4.320 0.000 0.000 0.328 536 A C 0.563 178.199 177.584 0.087 0.000 1.158 536 A CA -0.781 51.295 52.037 0.066 0.000 0.821 536 A CB 0.616 19.690 19.000 0.124 0.000 1.170 536 A HN 0.714 nan 8.150 nan 0.000 0.490 537 T N 1.781 116.392 114.554 0.095 0.000 2.834 537 T HA 0.343 4.693 4.350 0.000 0.000 0.298 537 T C 0.183 174.995 174.700 0.186 0.000 0.966 537 T CA 0.058 62.247 62.100 0.149 0.000 1.141 537 T CB 0.318 69.292 68.868 0.176 0.000 0.905 537 T HN 0.393 nan 8.240 nan 0.000 0.535 538 V N 4.954 124.958 119.914 0.150 0.000 2.461 538 V HA 0.201 4.321 4.120 0.000 0.000 0.275 538 V C 1.449 177.610 176.094 0.112 0.000 1.047 538 V CA -0.220 62.155 62.300 0.126 0.000 0.955 538 V CB 1.310 33.249 31.823 0.194 0.000 0.988 538 V HN 0.865 nan 8.190 nan 0.000 0.471 539 K N 3.193 123.582 120.400 -0.019 0.000 2.128 539 K HA 0.083 4.403 4.320 0.000 0.000 0.202 539 K C 0.655 177.269 176.600 0.024 0.000 1.050 539 K CA 1.021 57.290 56.287 -0.029 0.000 0.966 539 K CB 0.370 32.676 32.500 -0.325 0.000 0.759 539 K HN 0.823 nan 8.250 nan 0.000 0.454 540 S N -1.295 114.417 115.700 0.020 0.000 2.550 540 S HA 0.385 4.855 4.470 0.000 0.000 0.270 540 S C -1.925 172.761 174.600 0.143 0.000 1.145 540 S CA -1.022 57.223 58.200 0.074 0.000 0.852 540 S CB 1.221 64.436 63.200 0.024 0.000 1.119 540 S HN 0.306 nan 8.310 nan 0.000 0.465 541 W N 3.401 124.689 121.300 -0.019 0.000 2.968 541 W HA 0.554 5.214 4.660 0.000 0.000 0.337 541 W C -1.144 175.393 176.519 0.030 0.000 1.060 541 W CA -0.175 57.167 57.345 -0.006 0.000 1.240 541 W CB 1.762 31.214 29.460 -0.014 0.000 1.370 541 W HN 1.206 nan 8.180 nan 0.000 0.459 542 T N 0.476 115.078 114.554 0.080 0.000 2.864 542 T HA 0.372 4.722 4.350 0.000 0.000 0.289 542 T C 0.745 175.510 174.700 0.108 0.000 1.082 542 T CA -0.384 61.803 62.100 0.144 0.000 1.009 542 T CB 1.779 70.687 68.868 0.067 0.000 1.234 542 T HN 0.153 nan 8.240 nan 0.000 0.526 543 S N 0.537 116.308 115.700 0.119 0.000 2.399 543 S HA -0.077 4.393 4.470 0.000 0.000 0.231 543 S C 1.305 175.819 174.600 -0.144 0.000 1.022 543 S CA 1.674 59.911 58.200 0.062 0.000 0.983 543 S CB -0.525 62.687 63.200 0.021 0.000 0.803 543 S HN 0.813 nan 8.310 nan 0.000 0.480 544 N N -0.282 118.349 118.700 -0.115 0.000 2.171 544 N HA 0.227 4.967 4.740 0.000 0.000 0.212 544 N C 0.220 175.715 175.510 -0.025 0.000 1.184 544 N CA -0.082 52.829 53.050 -0.233 0.000 0.888 544 N CB 0.739 39.145 38.487 -0.135 0.000 1.038 544 N HN 0.105 nan 8.380 nan 0.000 0.517 545 R N 1.000 121.553 120.500 0.087 0.000 2.535 545 R HA 0.452 4.792 4.340 0.000 0.000 0.274 545 R C -2.010 174.216 176.300 -0.123 0.000 1.090 545 R CA -0.415 55.709 56.100 0.040 0.000 0.930 545 R CB 1.087 31.374 30.300 -0.023 0.000 1.223 545 R HN -0.049 nan 8.270 nan 0.000 0.441 546 I N 2.946 123.353 120.570 -0.273 0.000 2.465 546 I HA 0.332 4.502 4.170 0.000 0.000 0.291 546 I C -0.443 175.516 176.117 -0.263 0.000 1.014 546 I CA -0.715 60.336 61.300 -0.415 0.000 1.093 546 I CB 2.296 39.811 38.000 -0.808 0.000 1.267 546 I HN 0.506 nan 8.210 nan 0.000 0.431 547 E N 5.547 125.635 120.200 -0.187 0.000 2.166 547 E HA 0.597 4.947 4.350 0.000 0.000 0.275 547 E C -0.995 175.472 176.600 -0.223 0.000 0.941 547 E CA -0.684 55.596 56.400 -0.200 0.000 0.784 547 E CB 2.576 32.161 29.700 -0.191 0.000 1.115 547 E HN 0.433 nan 8.360 nan 0.000 0.399 548 V N -0.119 119.645 119.914 -0.251 0.000 3.102 548 V HA 0.536 4.656 4.120 0.000 0.000 0.312 548 V C -1.301 174.571 176.094 -0.370 0.000 1.135 548 V CA -1.034 61.132 62.300 -0.224 0.000 1.022 548 V CB 1.039 32.855 31.823 -0.010 0.000 1.056 548 V HN 0.515 nan 8.190 nan 0.000 0.436 549 Y N 0.434 120.692 120.300 -0.070 0.000 2.330 549 Y HA 0.624 5.174 4.550 0.000 0.000 0.336 549 Y C 0.524 176.264 175.900 -0.266 0.000 1.036 549 Y CA -0.786 57.242 58.100 -0.119 0.000 1.125 549 Y CB 1.698 40.105 38.460 -0.087 0.000 1.194 549 Y HN 0.548 nan 8.280 nan 0.000 0.469 550 V N 6.393 126.187 119.914 -0.200 0.000 2.599 550 V HA 0.017 4.137 4.120 0.000 0.000 0.300 550 V C -1.938 173.943 176.094 -0.355 0.000 1.034 550 V CA -1.366 60.612 62.300 -0.537 0.000 1.115 550 V CB 0.019 31.667 31.823 -0.291 0.000 0.934 550 V HN 0.593 nan 8.190 nan 0.000 0.485 551 P HA 0.083 nan 4.420 nan 0.000 0.272 551 P C -0.241 176.975 177.300 -0.140 0.000 1.230 551 P CA -0.462 62.496 63.100 -0.237 0.000 0.788 551 P CB 0.368 31.943 31.700 -0.208 0.000 0.949 552 N N 1.932 120.586 118.700 -0.077 0.000 3.050 552 N HA 0.114 4.854 4.740 0.000 0.000 0.289 552 N C -0.303 175.194 175.510 -0.022 0.000 1.209 552 N CA -0.016 53.010 53.050 -0.040 0.000 1.154 552 N CB -0.902 37.566 38.487 -0.032 0.000 1.444 552 N HN 0.345 nan 8.380 nan 0.000 0.529 553 M N -0.540 119.051 119.600 -0.015 0.000 2.796 553 M HA 0.748 5.228 4.480 0.000 0.000 0.303 553 M C -0.139 176.179 176.300 0.031 0.000 1.240 553 M CA -1.270 54.036 55.300 0.012 0.000 0.831 553 M CB 0.968 33.580 32.600 0.020 0.000 1.750 553 M HN 0.002 nan 8.290 nan 0.000 0.484 554 A N 1.194 124.040 122.820 0.043 0.000 2.520 554 A HA 0.565 4.885 4.320 0.000 0.000 0.235 554 A C 0.318 177.939 177.584 0.062 0.000 1.065 554 A CA 0.098 52.165 52.037 0.049 0.000 0.764 554 A CB -0.390 18.641 19.000 0.051 0.000 1.002 554 A HN 1.029 nan 8.150 nan 0.000 0.502 555 A N 0.838 123.691 122.820 0.055 0.000 2.332 555 A HA 0.739 5.059 4.320 0.000 0.000 0.258 555 A C 0.834 178.454 177.584 0.060 0.000 1.087 555 A CA 0.499 52.572 52.037 0.059 0.000 0.802 555 A CB 0.098 19.123 19.000 0.043 0.000 1.042 555 A HN 2.805 nan 8.150 nan 0.000 0.489 556 G N -1.068 107.770 108.800 0.063 0.000 2.340 556 G HA2 0.423 4.383 3.960 0.000 0.000 0.527 556 G HA3 0.423 4.383 3.960 0.000 0.000 0.527 556 G C -1.174 173.773 174.900 0.078 0.000 1.381 556 G CA -0.473 44.661 45.100 0.056 0.000 1.001 556 G HN 1.580 nan 8.290 nan 0.000 0.626 557 L N 0.859 122.121 121.223 0.064 0.000 2.410 557 L HA 0.704 5.044 4.340 0.000 0.000 0.273 557 L C 0.825 177.763 176.870 0.113 0.000 1.144 557 L CA 0.946 55.836 54.840 0.083 0.000 0.863 557 L CB 1.108 43.200 42.059 0.056 0.000 1.140 557 L HN 0.959 nan 8.230 nan 0.000 0.463 558 T N 2.912 117.567 114.554 0.169 0.000 2.887 558 T HA 0.435 4.785 4.350 0.000 0.000 0.292 558 T C -1.379 173.406 174.700 0.142 0.000 1.087 558 T CA -0.775 61.425 62.100 0.167 0.000 1.009 558 T CB 1.008 70.015 68.868 0.232 0.000 1.203 558 T HN 0.576 nan 8.240 nan 0.000 0.518 559 D N 1.834 122.288 120.400 0.090 0.000 2.193 559 D HA 0.456 5.096 4.640 0.000 0.000 0.244 559 D C -0.333 175.933 176.300 -0.056 0.000 1.064 559 D CA -0.105 53.919 54.000 0.039 0.000 0.845 559 D CB 1.873 42.696 40.800 0.039 0.000 1.148 559 D HN 0.247 nan 8.370 nan 0.000 0.464 560 V N 2.747 122.569 119.914 -0.153 0.000 2.509 560 V HA 0.328 4.448 4.120 0.000 0.000 0.284 560 V C 0.335 176.331 176.094 -0.163 0.000 1.047 560 V CA -0.330 61.750 62.300 -0.367 0.000 0.952 560 V CB 1.459 32.931 31.823 -0.585 0.000 0.988 560 V HN 0.388 nan 8.190 nan 0.000 0.469 561 K N 3.225 123.534 120.400 -0.151 0.000 2.501 561 K HA 0.695 5.015 4.320 0.000 0.000 0.252 561 K C -1.831 174.720 176.600 -0.081 0.000 0.934 561 K CA -0.552 55.694 56.287 -0.069 0.000 0.797 561 K CB 2.385 34.877 32.500 -0.012 0.000 1.270 561 K HN 0.443 nan 8.250 nan 0.000 0.431 562 V N 2.685 122.550 119.914 -0.083 0.000 2.483 562 V HA 0.419 4.539 4.120 0.000 0.000 0.295 562 V C -0.513 175.604 176.094 0.038 0.000 1.035 562 V CA -0.484 61.760 62.300 -0.093 0.000 0.896 562 V CB 1.816 33.446 31.823 -0.322 0.000 0.986 562 V HN 0.840 nan 8.190 nan 0.000 0.447 563 T N 4.272 118.897 114.554 0.119 0.000 2.786 563 T HA 0.733 5.083 4.350 0.000 0.000 0.283 563 T C -0.298 174.513 174.700 0.184 0.000 0.992 563 T CA -0.323 61.848 62.100 0.119 0.000 0.954 563 T CB 1.405 70.317 68.868 0.073 0.000 0.934 563 T HN 0.917 nan 8.240 nan 0.000 0.440 564 A N 1.846 124.770 122.820 0.173 0.000 2.375 564 A HA 0.759 5.079 4.320 0.000 0.000 0.295 564 A C 0.920 178.564 177.584 0.101 0.000 1.066 564 A CA -0.235 51.919 52.037 0.195 0.000 0.722 564 A CB 0.640 19.850 19.000 0.350 0.000 1.206 564 A HN 1.439 nan 8.150 nan 0.000 0.435 565 G N 1.155 109.984 108.800 0.048 0.000 2.249 565 G HA2 0.140 4.100 3.960 0.000 0.000 0.273 565 G HA3 0.140 4.100 3.960 0.000 0.000 0.273 565 G C 1.651 176.564 174.900 0.022 0.000 1.036 565 G CA 1.356 46.471 45.100 0.025 0.000 0.824 565 G HN 2.850 nan 8.290 nan 0.000 0.504 566 G N -3.243 105.569 108.800 0.020 0.000 2.184 566 G HA2 -0.058 3.902 3.960 0.000 0.000 0.264 566 G HA3 -0.058 3.902 3.960 0.000 0.000 0.264 566 G C 0.430 175.346 174.900 0.028 0.000 0.975 566 G CA 0.706 45.817 45.100 0.019 0.000 0.642 566 G HN 1.715 nan 8.290 nan 0.000 0.536 567 V N 1.742 121.679 119.914 0.038 0.000 2.427 567 V HA 0.700 4.820 4.120 0.000 0.000 0.286 567 V C 0.733 176.855 176.094 0.048 0.000 1.034 567 V CA -0.074 62.249 62.300 0.037 0.000 0.893 567 V CB 1.708 33.551 31.823 0.032 0.000 0.982 567 V HN 0.881 nan 8.190 nan 0.000 0.452 568 S N 2.906 118.630 115.700 0.040 0.000 2.578 568 S HA 0.667 5.138 4.470 0.000 0.000 0.283 568 S C 0.156 174.779 174.600 0.039 0.000 1.195 568 S CA -0.364 57.862 58.200 0.044 0.000 1.050 568 S CB 1.639 64.862 63.200 0.039 0.000 1.012 568 S HN 1.004 nan 8.310 nan 0.000 0.511 569 S N 1.604 117.330 115.700 0.044 0.000 2.652 569 S HA 0.341 4.811 4.470 0.000 0.000 0.267 569 S C 0.269 174.910 174.600 0.069 0.000 1.201 569 S CA -0.918 57.309 58.200 0.045 0.000 0.996 569 S CB -0.242 62.998 63.200 0.065 0.000 1.054 569 S HN 0.924 nan 8.310 nan 0.000 0.561 570 N N 0.175 118.944 118.700 0.114 0.000 2.326 570 N HA 0.183 4.923 4.740 0.000 0.000 0.239 570 N C -0.498 175.090 175.510 0.129 0.000 1.301 570 N CA -0.347 52.797 53.050 0.157 0.000 0.909 570 N CB -0.181 38.469 38.487 0.272 0.000 1.156 570 N HN 0.673 nan 8.380 nan 0.000 0.462 571 L N -0.369 120.923 121.223 0.115 0.000 2.344 571 L HA 0.419 4.759 4.340 0.000 0.000 0.272 571 L C -0.880 176.082 176.870 0.152 0.000 1.035 571 L CA -0.930 53.968 54.840 0.096 0.000 0.807 571 L CB 0.766 42.859 42.059 0.057 0.000 1.237 571 L HN 0.546 nan 8.230 nan 0.000 0.442 572 Y N 0.795 121.096 120.300 0.001 0.000 2.421 572 Y HA 0.305 4.855 4.550 0.000 0.000 0.339 572 Y C 0.133 176.056 175.900 0.038 0.000 0.996 572 Y CA -0.973 57.149 58.100 0.036 0.000 1.046 572 Y CB 1.964 40.434 38.460 0.017 0.000 1.226 572 Y HN 0.674 nan 8.280 nan 0.000 0.445 573 S N 4.372 120.162 115.700 0.150 0.000 2.593 573 S HA 0.451 4.921 4.470 0.000 0.000 0.269 573 S C -1.189 173.640 174.600 0.381 0.000 1.334 573 S CA -0.226 58.099 58.200 0.210 0.000 1.015 573 S CB 1.301 64.578 63.200 0.128 0.000 0.912 573 S HN 0.699 nan 8.310 nan 0.000 0.541 574 Y N 0.910 121.301 120.300 0.152 0.000 2.482 574 Y HA 0.434 4.984 4.550 0.000 0.000 0.334 574 Y C -1.329 174.661 175.900 0.151 0.000 1.091 574 Y CA -0.887 57.298 58.100 0.142 0.000 1.027 574 Y CB 1.493 40.021 38.460 0.114 0.000 1.306 574 Y HN 0.810 nan 8.280 nan 0.000 0.446 575 N N 6.136 124.568 118.700 -0.447 0.000 2.500 575 N HA 0.336 5.076 4.740 0.000 0.000 0.236 575 N C -1.186 174.141 175.510 -0.304 0.000 1.022 575 N CA -0.175 52.725 53.050 -0.250 0.000 0.935 575 N CB 0.298 38.687 38.487 -0.163 0.000 1.147 575 N HN 0.640 nan 8.380 nan 0.000 0.512 576 I N 4.419 124.990 120.570 0.002 0.000 2.379 576 I HA 0.125 4.296 4.170 0.000 0.000 0.290 576 I C 0.646 176.790 176.117 0.045 0.000 1.063 576 I CA -0.512 60.849 61.300 0.102 0.000 1.351 576 I CB 0.543 38.666 38.000 0.204 0.000 1.410 576 I HN 0.268 nan 8.210 nan 0.000 0.505 577 L N 4.926 126.169 121.223 0.033 0.000 2.475 577 L HA 0.166 4.506 4.340 0.000 0.000 0.253 577 L C 1.447 178.342 176.870 0.041 0.000 1.198 577 L CA -0.067 54.791 54.840 0.030 0.000 0.814 577 L CB 0.642 42.721 42.059 0.032 0.000 1.134 577 L HN 0.587 nan 8.230 nan 0.000 0.478 578 S N -0.164 115.557 115.700 0.034 0.000 2.603 578 S HA 0.267 4.737 4.470 0.000 0.000 0.220 578 S C 0.429 175.052 174.600 0.038 0.000 0.967 578 S CA 0.481 58.702 58.200 0.035 0.000 0.920 578 S CB 0.029 63.247 63.200 0.030 0.000 0.773 578 S HN 0.909 nan 8.310 nan 0.000 0.529 579 G N 0.264 109.088 108.800 0.041 0.000 2.368 579 G HA2 0.196 4.156 3.960 0.000 0.000 0.302 579 G HA3 0.196 4.156 3.960 0.000 0.000 0.302 579 G C -0.629 174.296 174.900 0.042 0.000 1.329 579 G CA -0.670 44.454 45.100 0.040 0.000 0.935 579 G HN -0.027 nan 8.290 nan 0.000 0.590 580 T N 0.731 115.308 114.554 0.039 0.000 2.946 580 T HA 0.375 4.725 4.350 0.000 0.000 0.312 580 T C 0.427 175.152 174.700 0.042 0.000 1.066 580 T CA 0.432 62.554 62.100 0.038 0.000 1.138 580 T CB 0.217 69.104 68.868 0.032 0.000 1.014 580 T HN 0.471 nan 8.240 nan 0.000 0.544 581 Q N 2.277 122.102 119.800 0.041 0.000 2.212 581 Q HA 0.466 4.806 4.340 0.000 0.000 0.238 581 Q C 0.054 176.093 176.000 0.065 0.000 0.955 581 Q CA -0.445 55.391 55.803 0.054 0.000 0.906 581 Q CB 1.728 30.495 28.738 0.049 0.000 1.215 581 Q HN 0.744 nan 8.270 nan 0.000 0.478 582 T N -0.677 113.930 114.554 0.087 0.000 2.906 582 T HA 0.357 4.707 4.350 0.000 0.000 0.295 582 T C -1.066 173.718 174.700 0.140 0.000 1.061 582 T CA -0.476 61.686 62.100 0.103 0.000 1.000 582 T CB 1.419 70.337 68.868 0.084 0.000 1.103 582 T HN 0.422 nan 8.240 nan 0.000 0.486 583 S N 2.924 118.723 115.700 0.165 0.000 2.420 583 S HA 0.637 5.107 4.470 0.000 0.000 0.313 583 S C -0.855 173.847 174.600 0.170 0.000 1.079 583 S CA -0.529 57.790 58.200 0.199 0.000 1.104 583 S CB -0.077 63.292 63.200 0.282 0.000 0.969 583 S HN 0.577 nan 8.310 nan 0.000 0.471 584 V N 5.943 125.983 119.914 0.209 0.000 2.448 584 V HA 0.404 4.525 4.120 0.000 0.000 0.295 584 V C -0.139 176.091 176.094 0.227 0.000 1.025 584 V CA -0.875 61.519 62.300 0.156 0.000 0.859 584 V CB 1.907 33.778 31.823 0.080 0.000 0.988 584 V HN 0.681 nan 8.190 nan 0.000 0.431 585 V N 5.685 125.686 119.914 0.145 0.000 2.415 585 V HA 0.240 4.361 4.120 0.000 0.000 0.267 585 V C -0.282 175.946 176.094 0.222 0.000 1.042 585 V CA 0.173 62.614 62.300 0.235 0.000 1.000 585 V CB -0.058 31.881 31.823 0.194 0.000 1.015 585 V HN 0.600 nan 8.190 nan 0.000 0.478 586 F N 3.210 123.339 119.950 0.299 0.000 2.405 586 F HA 0.485 5.012 4.527 0.000 0.000 0.355 586 F C 0.817 176.842 175.800 0.376 0.000 1.121 586 F CA -0.114 58.092 58.000 0.343 0.000 1.112 586 F CB 1.620 40.899 39.000 0.464 0.000 1.126 586 F HN 0.359 nan 8.300 nan 0.000 0.481 587 T N 3.615 118.401 114.554 0.387 0.000 2.829 587 T HA 0.487 4.837 4.350 0.000 0.000 0.280 587 T C -1.119 173.647 174.700 0.110 0.000 0.999 587 T CA -0.650 61.611 62.100 0.269 0.000 0.983 587 T CB 1.884 70.847 68.868 0.159 0.000 0.968 587 T HN 0.347 nan 8.240 nan 0.000 0.446 588 V N 4.470 124.354 119.914 -0.051 0.000 2.407 588 V HA 0.477 4.597 4.120 0.000 0.000 0.291 588 V C -0.528 175.578 176.094 0.021 0.000 1.018 588 V CA -0.741 61.431 62.300 -0.213 0.000 0.842 588 V CB 0.971 32.274 31.823 -0.866 0.000 0.996 588 V HN 0.746 nan 8.190 nan 0.000 0.426 589 K N 3.879 124.316 120.400 0.063 0.000 2.185 589 K HA 0.478 4.798 4.320 0.000 0.000 0.271 589 K C 0.628 177.286 176.600 0.097 0.000 1.013 589 K CA 0.073 56.403 56.287 0.073 0.000 0.943 589 K CB 1.121 33.656 32.500 0.058 0.000 0.998 589 K HN 0.811 nan 8.250 nan 0.000 0.468 590 S N -0.065 115.653 115.700 0.030 0.000 3.628 590 S HA -0.202 4.268 4.470 0.000 0.000 0.373 590 S C -0.071 174.498 174.600 -0.052 0.000 0.968 590 S CA 0.476 58.667 58.200 -0.015 0.000 1.215 590 S CB -1.407 61.809 63.200 0.026 0.000 0.912 590 S HN 0.790 nan 8.310 nan 0.000 0.495 591 A N 1.321 124.053 122.820 -0.146 0.000 2.313 591 A HA 0.671 4.992 4.320 0.000 0.000 0.261 591 A C -1.771 175.461 177.584 -0.587 0.000 1.090 591 A CA -1.424 50.275 52.037 -0.563 0.000 0.807 591 A CB -0.018 18.627 19.000 -0.592 0.000 1.055 591 A HN 0.303 nan 8.150 nan 0.000 0.492 592 P HA 0.257 nan 4.420 nan 0.000 0.269 592 P C -2.491 174.657 177.300 -0.254 0.000 1.215 592 P CA -0.831 61.999 63.100 -0.451 0.000 0.780 592 P CB -0.454 30.991 31.700 -0.424 0.000 0.898 593 P HA 0.065 nan 4.420 nan 0.000 0.265 593 P C -0.317 177.050 177.300 0.112 0.000 1.193 593 P CA 0.359 63.501 63.100 0.071 0.000 0.765 593 P CB 0.036 31.780 31.700 0.073 0.000 0.823 594 T N -0.442 114.275 114.554 0.272 0.000 2.916 594 T HA 0.584 4.934 4.350 0.000 0.000 0.292 594 T C -0.292 174.495 174.700 0.144 0.000 1.064 594 T CA -0.961 61.261 62.100 0.203 0.000 1.011 594 T CB 1.452 70.512 68.868 0.320 0.000 1.152 594 T HN 0.219 nan 8.240 nan 0.000 0.510 595 N N 0.201 118.957 118.700 0.094 0.000 2.471 595 N HA 0.478 5.218 4.740 0.000 0.000 0.288 595 N C -0.708 174.831 175.510 0.050 0.000 1.220 595 N CA -1.109 51.971 53.050 0.050 0.000 0.893 595 N CB 0.910 39.420 38.487 0.039 0.000 1.256 595 N HN 0.568 nan 8.380 nan 0.000 0.534 596 L N 1.579 122.813 121.223 0.019 0.000 2.640 596 L HA 0.006 4.347 4.340 0.000 0.000 0.280 596 L C 1.134 178.030 176.870 0.043 0.000 1.229 596 L CA 1.858 56.709 54.840 0.019 0.000 0.919 596 L CB -0.891 41.169 42.059 0.002 0.000 1.168 596 L HN 0.973 nan 8.230 nan 0.000 0.496 597 G N 3.931 112.768 108.800 0.060 0.000 2.258 597 G HA2 -0.221 3.739 3.960 0.000 0.000 0.233 597 G HA3 -0.221 3.739 3.960 0.000 0.000 0.233 597 G C 0.135 175.092 174.900 0.096 0.000 1.006 597 G CA 0.147 45.290 45.100 0.072 0.000 0.620 597 G HN 0.631 nan 8.290 nan 0.000 0.511 598 D N 1.691 122.154 120.400 0.105 0.000 2.350 598 D HA 0.587 5.227 4.640 0.000 0.000 0.249 598 D C 0.523 176.900 176.300 0.127 0.000 1.119 598 D CA 0.582 54.644 54.000 0.105 0.000 0.886 598 D CB 1.106 41.958 40.800 0.087 0.000 1.195 598 D HN 0.453 nan 8.370 nan 0.000 0.437 599 K N 1.249 121.687 120.400 0.063 0.000 2.477 599 K HA 0.533 4.853 4.320 0.000 0.000 0.255 599 K C -0.517 175.911 176.600 -0.288 0.000 0.952 599 K CA -0.791 55.467 56.287 -0.048 0.000 0.826 599 K CB 2.331 34.832 32.500 0.001 0.000 1.331 599 K HN 0.258 nan 8.250 nan 0.000 0.437 600 I N 2.362 122.533 120.570 -0.666 0.000 2.392 600 I HA 0.339 4.509 4.170 0.000 0.000 0.295 600 I C -0.859 174.939 176.117 -0.531 0.000 0.985 600 I CA -0.664 60.280 61.300 -0.593 0.000 1.221 600 I CB 0.671 38.118 38.000 -0.922 0.000 1.366 600 I HN 0.455 nan 8.210 nan 0.000 0.467 601 Y N 4.863 124.841 120.300 -0.537 0.000 2.602 601 Y HA 0.568 5.118 4.550 0.000 0.000 0.342 601 Y C -0.480 175.117 175.900 -0.505 0.000 1.029 601 Y CA -0.928 56.825 58.100 -0.579 0.000 1.080 601 Y CB 1.870 39.755 38.460 -0.957 0.000 1.284 601 Y HN 0.329 nan 8.280 nan 0.000 0.485 602 L N 1.107 122.166 121.223 -0.274 0.000 2.329 602 L HA 0.826 5.166 4.340 0.000 0.000 0.279 602 L C -0.541 176.093 176.870 -0.393 0.000 1.014 602 L CA 0.037 54.584 54.840 -0.489 0.000 0.814 602 L CB 1.865 43.450 42.059 -0.789 0.000 1.257 602 L HN 0.672 nan 8.230 nan 0.000 0.424 603 T N 2.760 117.151 114.554 -0.270 0.000 2.894 603 T HA 0.898 5.248 4.350 0.000 0.000 0.309 603 T C -0.665 173.824 174.700 -0.353 0.000 1.208 603 T CA 0.085 62.093 62.100 -0.153 0.000 1.016 603 T CB 1.363 70.349 68.868 0.196 0.000 1.192 603 T HN 1.103 nan 8.240 nan 0.000 0.491 604 G N 1.746 110.105 108.800 -0.736 0.000 2.554 604 G HA2 0.358 4.318 3.960 0.000 0.000 0.306 604 G HA3 0.358 4.318 3.960 0.000 0.000 0.306 604 G C -0.583 173.423 174.900 -1.489 0.000 1.320 604 G CA -0.437 43.873 45.100 -1.317 0.000 0.800 604 G HN 0.741 nan 8.290 nan 0.000 0.481 605 N N -0.139 117.972 118.700 -0.982 0.000 2.389 605 N HA 0.174 4.914 4.740 0.000 0.000 0.237 605 N C 0.258 175.646 175.510 -0.202 0.000 1.148 605 N CA -0.029 52.730 53.050 -0.485 0.000 0.854 605 N CB -0.424 38.118 38.487 0.091 0.000 1.115 605 N HN 0.764 nan 8.380 nan 0.000 0.492 606 I N -5.737 114.692 120.570 -0.234 0.000 2.994 606 I HA 0.475 4.645 4.170 0.000 0.000 0.306 606 I C -2.205 173.839 176.117 -0.123 0.000 1.195 606 I CA -2.397 58.836 61.300 -0.112 0.000 1.001 606 I CB 2.394 40.355 38.000 -0.064 0.000 1.244 606 I HN -0.406 nan 8.210 nan 0.000 0.437 607 P HA -0.108 nan 4.420 nan 0.000 0.218 607 P C 0.974 178.237 177.300 -0.062 0.000 1.149 607 P CA 1.398 64.468 63.100 -0.050 0.000 0.817 607 P CB 0.256 31.949 31.700 -0.013 0.000 0.785 608 E N -0.200 119.965 120.200 -0.059 0.000 2.204 608 E HA -0.070 4.280 4.350 0.000 0.000 0.195 608 E C 1.551 178.075 176.600 -0.127 0.000 0.990 608 E CA 0.878 57.243 56.400 -0.057 0.000 0.821 608 E CB -0.576 29.109 29.700 -0.024 0.000 0.750 608 E HN 0.301 nan 8.360 nan 0.000 0.477 609 L N -1.192 119.913 121.223 -0.197 0.000 2.910 609 L HA 0.334 4.674 4.340 0.000 0.000 0.252 609 L C 0.930 177.641 176.870 -0.264 0.000 1.195 609 L CA 0.137 54.791 54.840 -0.309 0.000 1.003 609 L CB 0.344 42.161 42.059 -0.403 0.000 1.328 609 L HN 0.308 nan 8.230 nan 0.000 0.540 610 G N 0.093 108.792 108.800 -0.169 0.000 2.159 610 G HA2 -0.308 3.652 3.960 0.000 0.000 0.256 610 G HA3 -0.308 3.652 3.960 0.000 0.000 0.256 610 G C 0.442 175.287 174.900 -0.092 0.000 0.977 610 G CA 0.070 45.107 45.100 -0.105 0.000 0.652 610 G HN 0.465 nan 8.290 nan 0.000 0.531 611 N N -1.006 117.587 118.700 -0.177 0.000 2.705 611 N HA -0.235 4.505 4.740 0.000 0.000 0.255 611 N C 0.838 176.369 175.510 0.036 0.000 1.008 611 N CA 1.870 54.834 53.050 -0.142 0.000 0.742 611 N CB -1.619 36.867 38.487 -0.001 0.000 0.906 611 N HN 1.279 nan 8.380 nan 0.000 0.541 612 W N -2.684 118.667 121.300 0.084 0.000 3.160 612 W HA -0.287 4.373 4.660 0.000 0.000 0.299 612 W C 0.911 177.522 176.519 0.153 0.000 1.141 612 W CA 0.622 58.061 57.345 0.157 0.000 0.612 612 W CB -1.987 27.546 29.460 0.122 0.000 2.186 612 W HN 0.317 nan 8.180 nan 0.000 1.364 613 S N 0.618 116.445 115.700 0.211 0.000 2.579 613 S HA 0.330 4.800 4.470 0.000 0.000 0.275 613 S C 1.307 175.936 174.600 0.048 0.000 1.345 613 S CA 0.765 59.032 58.200 0.113 0.000 1.031 613 S CB 0.902 64.127 63.200 0.043 0.000 0.892 613 S HN 0.305 nan 8.310 nan 0.000 0.529 614 T N 0.399 114.887 114.554 -0.109 0.000 3.085 614 T HA 0.243 4.594 4.350 0.000 0.000 0.264 614 T C -0.032 174.545 174.700 -0.205 0.000 1.019 614 T CA -0.380 61.476 62.100 -0.406 0.000 0.910 614 T CB -0.338 68.021 68.868 -0.848 0.000 1.059 614 T HN 0.609 nan 8.240 nan 0.000 0.542 615 D N 2.382 122.718 120.400 -0.106 0.000 2.350 615 D HA 0.282 4.922 4.640 0.000 0.000 0.249 615 D C 1.026 177.251 176.300 -0.126 0.000 1.119 615 D CA 0.244 54.184 54.000 -0.100 0.000 0.886 615 D CB 1.088 41.851 40.800 -0.061 0.000 1.195 615 D HN 0.301 nan 8.370 nan 0.000 0.437 616 T N -0.458 113.996 114.554 -0.166 0.000 3.252 616 T HA 0.219 4.569 4.350 0.000 0.000 0.286 616 T C 0.698 175.347 174.700 -0.085 0.000 1.013 616 T CA -0.332 61.640 62.100 -0.213 0.000 0.914 616 T CB -0.281 68.296 68.868 -0.486 0.000 1.131 616 T HN 0.289 nan 8.240 nan 0.000 0.529 617 S N 0.538 116.198 115.700 -0.068 0.000 2.596 617 S HA 0.532 5.002 4.470 0.000 0.000 0.262 617 S C 1.693 176.261 174.600 -0.054 0.000 1.218 617 S CA 0.060 58.228 58.200 -0.053 0.000 0.998 617 S CB -0.023 63.145 63.200 -0.055 0.000 1.060 617 S HN 0.361 nan 8.310 nan 0.000 0.552 618 G N -0.437 108.318 108.800 -0.075 0.000 2.956 618 G HA2 0.429 4.389 3.960 0.000 0.000 0.207 618 G HA3 0.429 4.389 3.960 0.000 0.000 0.207 618 G C 0.515 175.364 174.900 -0.084 0.000 1.162 618 G CA 0.140 45.181 45.100 -0.098 0.000 0.796 618 G HN 1.060 nan 8.290 nan 0.000 0.527 619 A N -0.310 122.470 122.820 -0.066 0.000 2.429 619 A HA 0.495 4.815 4.320 0.000 0.000 0.242 619 A C 0.302 177.860 177.584 -0.042 0.000 1.088 619 A CA -0.135 51.866 52.037 -0.059 0.000 0.784 619 A CB 0.560 19.532 19.000 -0.047 0.000 1.038 619 A HN 0.255 nan 8.150 nan 0.000 0.501 620 V N 2.296 122.187 119.914 -0.038 0.000 2.546 620 V HA 0.199 4.319 4.120 0.000 0.000 0.284 620 V C 0.174 176.262 176.094 -0.011 0.000 1.050 620 V CA -0.302 61.988 62.300 -0.016 0.000 0.981 620 V CB 0.687 32.507 31.823 -0.005 0.000 0.990 620 V HN 0.984 nan 8.190 nan 0.000 0.474 621 N N 2.763 121.459 118.700 -0.007 0.000 2.714 621 N HA -0.169 4.571 4.740 0.000 0.000 0.253 621 N C -0.064 175.433 175.510 -0.021 0.000 1.024 621 N CA 1.094 54.134 53.050 -0.016 0.000 0.726 621 N CB -1.030 37.449 38.487 -0.013 0.000 0.908 621 N HN 1.011 nan 8.380 nan 0.000 0.542 622 N N -0.873 117.816 118.700 -0.019 0.000 2.992 622 N HA 0.677 5.417 4.740 0.000 0.000 0.338 622 N C 0.062 175.560 175.510 -0.020 0.000 1.376 622 N CA -0.154 52.885 53.050 -0.018 0.000 0.778 622 N CB -0.237 38.236 38.487 -0.024 0.000 1.232 622 N HN 0.137 nan 8.380 nan 0.000 0.581 623 A N -0.565 122.252 122.820 -0.003 0.000 2.520 623 A HA 0.168 4.488 4.320 0.000 0.000 0.235 623 A C -0.066 177.536 177.584 0.029 0.000 1.065 623 A CA -0.068 51.983 52.037 0.023 0.000 0.764 623 A CB -0.300 18.770 19.000 0.116 0.000 1.002 623 A HN 0.493 nan 8.150 nan 0.000 0.502 624 Q N 0.356 120.116 119.800 -0.066 0.000 2.241 624 Q HA 0.619 4.959 4.340 0.000 0.000 0.254 624 Q C 0.445 176.508 176.000 0.106 0.000 0.917 624 Q CA 0.722 56.467 55.803 -0.096 0.000 0.919 624 Q CB 1.515 29.866 28.738 -0.644 0.000 1.237 624 Q HN 1.483 nan 8.270 nan 0.000 0.434 625 G N 2.655 111.679 108.800 0.373 0.000 2.320 625 G HA2 0.043 4.003 3.960 0.000 0.000 0.274 625 G HA3 0.043 4.003 3.960 0.000 0.000 0.274 625 G C -2.997 171.917 174.900 0.024 0.000 1.324 625 G CA -0.877 44.330 45.100 0.178 0.000 0.957 625 G HN 0.465 nan 8.290 nan 0.000 0.481 626 P HA 0.643 nan 4.420 nan 0.000 0.276 626 P C -0.411 176.700 177.300 -0.316 0.000 1.252 626 P CA -0.472 62.169 63.100 -0.765 0.000 0.802 626 P CB 0.926 32.198 31.700 -0.713 0.000 1.035 627 L N 0.096 121.230 121.223 -0.149 0.000 2.456 627 L HA 0.282 4.622 4.340 0.000 0.000 0.257 627 L C 0.731 177.672 176.870 0.117 0.000 1.162 627 L CA -0.146 54.751 54.840 0.095 0.000 0.808 627 L CB -0.213 42.032 42.059 0.309 0.000 1.136 627 L HN 0.234 nan 8.230 nan 0.000 0.466 628 L N 0.817 121.986 121.223 -0.089 0.000 2.331 628 L HA 0.766 5.106 4.340 0.000 0.000 0.268 628 L C -0.060 176.615 176.870 -0.324 0.000 1.015 628 L CA -0.746 53.971 54.840 -0.205 0.000 0.807 628 L CB 1.374 43.257 42.059 -0.294 0.000 1.293 628 L HN 0.660 nan 8.230 nan 0.000 0.451 629 A N 0.659 123.151 122.820 -0.547 0.000 3.410 629 A HA 0.411 4.731 4.320 0.000 0.000 0.276 629 A C -1.915 175.374 177.584 -0.490 0.000 0.995 629 A CA -0.772 50.831 52.037 -0.724 0.000 0.934 629 A CB -0.134 17.915 19.000 -1.584 0.000 1.191 629 A HN 0.525 nan 8.150 nan 0.000 0.511 630 P HA -0.127 nan 4.420 nan 0.000 0.218 630 P C 0.322 177.408 177.300 -0.358 0.000 1.149 630 P CA 1.256 64.022 63.100 -0.557 0.000 0.817 630 P CB -0.014 31.024 31.700 -1.105 0.000 0.785 631 N N -1.416 117.107 118.700 -0.295 0.000 2.453 631 N HA 0.072 4.812 4.740 0.000 0.000 0.270 631 N C -0.195 175.219 175.510 -0.159 0.000 1.195 631 N CA -0.590 52.340 53.050 -0.201 0.000 0.902 631 N CB -0.534 37.837 38.487 -0.194 0.000 1.186 631 N HN 0.087 nan 8.380 nan 0.000 0.510 632 Y N 2.834 122.937 120.300 -0.329 0.000 2.904 632 Y HA -0.032 4.518 4.550 0.000 0.000 0.336 632 Y C -1.163 174.643 175.900 -0.156 0.000 1.263 632 Y CA -1.075 56.836 58.100 -0.316 0.000 1.547 632 Y CB 0.738 38.993 38.460 -0.342 0.000 1.272 632 Y HN 0.261 nan 8.280 nan 0.000 0.596 633 P HA 0.049 nan 4.420 nan 0.000 0.255 633 P C -0.960 176.195 177.300 -0.242 0.000 1.301 633 P CA 0.291 62.908 63.100 -0.805 0.000 0.817 633 P CB 0.195 31.534 31.700 -0.602 0.000 1.259 634 D N 0.351 120.656 120.400 -0.158 0.000 2.210 634 D HA 0.246 4.886 4.640 0.000 0.000 0.249 634 D C -0.336 175.967 176.300 0.005 0.000 1.062 634 D CA 0.261 54.266 54.000 0.009 0.000 0.891 634 D CB 0.635 41.419 40.800 -0.026 0.000 1.186 634 D HN 0.015 nan 8.370 nan 0.000 0.432 635 W N 1.869 123.152 121.300 -0.027 0.000 2.781 635 W HA 0.572 5.232 4.660 0.000 0.000 0.345 635 W C -0.449 176.161 176.519 0.151 0.000 1.085 635 W CA -0.963 56.402 57.345 0.033 0.000 1.198 635 W CB 1.045 30.487 29.460 -0.029 0.000 1.423 635 W HN 0.263 nan 8.180 nan 0.000 0.532 636 F N 1.273 121.348 119.950 0.208 0.000 2.693 636 F HA 0.769 5.296 4.527 0.000 0.000 0.309 636 F C -2.068 173.915 175.800 0.305 0.000 1.129 636 F CA -1.754 56.371 58.000 0.207 0.000 0.948 636 F CB 1.327 40.358 39.000 0.051 0.000 1.315 636 F HN 0.389 nan 8.300 nan 0.000 0.447 637 Y N 0.936 121.127 120.300 -0.181 0.000 2.871 637 Y HA 0.725 5.275 4.550 0.000 0.000 0.331 637 Y C -1.958 173.799 175.900 -0.239 0.000 1.378 637 Y CA -1.479 56.327 58.100 -0.490 0.000 1.079 637 Y CB 1.720 39.897 38.460 -0.472 0.000 1.441 637 Y HN 0.651 nan 8.280 nan 0.000 0.446 638 V N 3.100 122.297 119.914 -1.194 0.000 2.531 638 V HA 0.567 4.687 4.120 0.000 0.000 0.301 638 V C -1.384 174.210 176.094 -0.833 0.000 1.034 638 V CA -0.722 61.198 62.300 -0.633 0.000 0.865 638 V CB 1.279 32.918 31.823 -0.306 0.000 0.995 638 V HN 0.498 nan 8.190 nan 0.000 0.424 639 F N 1.255 121.308 119.950 0.172 0.000 2.576 639 F HA 0.598 5.125 4.527 0.000 0.000 0.313 639 F C 0.485 176.380 175.800 0.159 0.000 1.078 639 F CA -0.763 57.317 58.000 0.133 0.000 0.921 639 F CB 2.252 41.253 39.000 0.002 0.000 1.232 639 F HN 0.396 nan 8.300 nan 0.000 0.459 640 S N 2.356 118.232 115.700 0.293 0.000 2.465 640 S HA 0.720 5.190 4.470 0.000 0.000 0.279 640 S C -0.839 173.864 174.600 0.171 0.000 1.201 640 S CA -0.449 57.869 58.200 0.196 0.000 1.053 640 S CB 0.007 63.283 63.200 0.127 0.000 0.953 640 S HN 0.622 nan 8.310 nan 0.000 0.488 641 V N 2.916 122.928 119.914 0.164 0.000 3.078 641 V HA 0.790 4.910 4.120 0.000 0.000 0.311 641 V C -2.837 173.315 176.094 0.098 0.000 1.138 641 V CA -2.845 59.530 62.300 0.125 0.000 1.007 641 V CB 1.640 33.572 31.823 0.181 0.000 1.045 641 V HN 0.668 nan 8.190 nan 0.000 0.432 642 P HA 0.212 nan 4.420 nan 0.000 0.264 642 P C -0.097 177.243 177.300 0.066 0.000 1.193 642 P CA 0.611 63.748 63.100 0.062 0.000 0.763 642 P CB 0.714 32.444 31.700 0.051 0.000 0.810 643 A N 3.294 126.150 122.820 0.059 0.000 2.425 643 A HA 0.491 4.811 4.320 0.000 0.000 0.249 643 A C 1.421 179.033 177.584 0.048 0.000 1.084 643 A CA 0.330 52.400 52.037 0.055 0.000 0.781 643 A CB -0.982 18.046 19.000 0.048 0.000 1.019 643 A HN 0.843 nan 8.150 nan 0.000 0.490 644 G N 1.186 110.014 108.800 0.046 0.000 2.249 644 G HA2 -0.192 3.769 3.960 0.000 0.000 0.273 644 G HA3 -0.192 3.769 3.960 0.000 0.000 0.273 644 G C 0.004 174.932 174.900 0.048 0.000 1.036 644 G CA 0.673 45.798 45.100 0.043 0.000 0.824 644 G HN 0.688 nan 8.290 nan 0.000 0.504 645 K N 0.002 120.437 120.400 0.057 0.000 2.318 645 K HA 0.614 4.934 4.320 0.000 0.000 0.249 645 K C -0.029 176.619 176.600 0.080 0.000 0.942 645 K CA -0.575 55.750 56.287 0.064 0.000 0.808 645 K CB 1.621 34.159 32.500 0.063 0.000 1.189 645 K HN 0.062 nan 8.250 nan 0.000 0.428 646 T N 3.218 117.822 114.554 0.083 0.000 2.743 646 T HA 0.500 4.850 4.350 0.000 0.000 0.293 646 T C 0.563 175.339 174.700 0.127 0.000 0.945 646 T CA -0.518 61.646 62.100 0.106 0.000 1.030 646 T CB -0.059 68.864 68.868 0.091 0.000 0.912 646 T HN 0.500 nan 8.240 nan 0.000 0.483 647 I N 0.524 121.202 120.570 0.181 0.000 3.002 647 I HA 0.666 4.836 4.170 0.000 0.000 0.310 647 I C -0.803 175.497 176.117 0.304 0.000 1.087 647 I CA -1.281 60.146 61.300 0.211 0.000 1.017 647 I CB 2.084 40.212 38.000 0.214 0.000 1.226 647 I HN 0.343 nan 8.210 nan 0.000 0.443 648 Q N 3.217 123.181 119.800 0.275 0.000 2.353 648 Q HA 0.662 5.002 4.340 0.000 0.000 0.268 648 Q C -1.618 174.561 176.000 0.299 0.000 1.045 648 Q CA -0.632 55.345 55.803 0.290 0.000 0.811 648 Q CB 2.895 31.828 28.738 0.325 0.000 1.305 648 Q HN 0.688 nan 8.270 nan 0.000 0.447 649 F N -1.270 118.801 119.950 0.203 0.000 2.693 649 F HA 0.709 5.236 4.527 0.000 0.000 0.309 649 F C -1.398 174.566 175.800 0.272 0.000 1.129 649 F CA -1.081 56.942 58.000 0.038 0.000 0.948 649 F CB 1.522 40.428 39.000 -0.156 0.000 1.315 649 F HN 0.230 nan 8.300 nan 0.000 0.447 650 K N 0.832 121.443 120.400 0.352 0.000 2.509 650 K HA 0.662 4.982 4.320 0.000 0.000 0.266 650 K C -1.997 174.609 176.600 0.010 0.000 0.987 650 K CA -0.822 55.651 56.287 0.311 0.000 0.868 650 K CB 2.809 35.622 32.500 0.522 0.000 1.421 650 K HN 0.561 nan 8.250 nan 0.000 0.444 651 F N 1.211 121.277 119.950 0.193 0.000 2.523 651 F HA 0.581 5.108 4.527 0.000 0.000 0.329 651 F C -0.133 175.687 175.800 0.033 0.000 1.061 651 F CA -0.706 57.321 58.000 0.045 0.000 0.967 651 F CB 1.081 40.116 39.000 0.059 0.000 1.218 651 F HN 0.402 nan 8.300 nan 0.000 0.480 652 F N -0.370 119.691 119.950 0.185 0.000 2.631 652 F HA 0.774 5.301 4.527 0.000 0.000 0.308 652 F C -1.633 174.288 175.800 0.203 0.000 1.097 652 F CA -1.672 56.380 58.000 0.085 0.000 0.952 652 F CB 0.852 39.550 39.000 -0.502 0.000 1.307 652 F HN 0.241 nan 8.300 nan 0.000 0.450 653 I N 2.538 123.360 120.570 0.419 0.000 2.353 653 I HA 0.327 4.497 4.170 0.000 0.000 0.293 653 I C -0.358 175.929 176.117 0.283 0.000 0.992 653 I CA -0.690 60.709 61.300 0.165 0.000 1.268 653 I CB 1.725 39.753 38.000 0.048 0.000 1.387 653 I HN 0.654 nan 8.210 nan 0.000 0.478 654 K N 7.050 127.600 120.400 0.251 0.000 2.347 654 K HA 0.328 4.649 4.320 0.000 0.000 0.262 654 K C -0.186 176.502 176.600 0.147 0.000 1.052 654 K CA -0.736 55.702 56.287 0.251 0.000 0.946 654 K CB 0.487 33.158 32.500 0.285 0.000 1.220 654 K HN 0.474 nan 8.250 nan 0.000 0.450 655 R N 1.613 122.175 120.500 0.104 0.000 2.827 655 R HA 0.019 4.359 4.340 0.000 0.000 0.269 655 R C 1.168 177.513 176.300 0.075 0.000 1.048 655 R CA 0.511 56.657 56.100 0.078 0.000 1.173 655 R CB 0.098 30.435 30.300 0.062 0.000 1.070 655 R HN 0.813 nan 8.270 nan 0.000 0.498 656 A N 1.326 124.185 122.820 0.066 0.000 1.978 656 A HA -0.205 4.115 4.320 0.000 0.000 0.220 656 A C 1.213 178.825 177.584 0.047 0.000 1.170 656 A CA 1.999 54.072 52.037 0.060 0.000 0.636 656 A CB -0.451 18.579 19.000 0.050 0.000 0.810 656 A HN 0.769 nan 8.150 nan 0.000 0.448 657 D N -2.474 117.951 120.400 0.041 0.000 2.340 657 D HA 0.285 4.925 4.640 0.000 0.000 0.220 657 D C 1.156 177.472 176.300 0.027 0.000 1.039 657 D CA 0.993 55.011 54.000 0.031 0.000 0.866 657 D CB -0.453 40.364 40.800 0.027 0.000 0.913 657 D HN 0.767 nan 8.370 nan 0.000 0.523 658 G N -0.527 108.293 108.800 0.033 0.000 2.213 658 G HA2 -0.267 3.693 3.960 0.000 0.000 0.236 658 G HA3 -0.267 3.693 3.960 0.000 0.000 0.236 658 G C 0.515 175.424 174.900 0.014 0.000 0.991 658 G CA 0.213 45.325 45.100 0.020 0.000 0.629 658 G HN 0.472 nan 8.290 nan 0.000 0.517 659 T N 2.432 117.001 114.554 0.026 0.000 2.932 659 T HA 0.462 4.812 4.350 0.000 0.000 0.312 659 T C 0.493 175.210 174.700 0.028 0.000 1.071 659 T CA 0.371 62.486 62.100 0.025 0.000 1.128 659 T CB 1.235 70.127 68.868 0.040 0.000 0.984 659 T HN 0.236 nan 8.240 nan 0.000 0.549 660 I N 2.767 123.337 120.570 0.001 0.000 2.378 660 I HA 0.313 4.484 4.170 0.000 0.000 0.291 660 I C 0.186 176.327 176.117 0.040 0.000 0.992 660 I CA -0.467 60.806 61.300 -0.046 0.000 1.154 660 I CB 1.478 39.316 38.000 -0.271 0.000 1.315 660 I HN 0.688 nan 8.210 nan 0.000 0.448 661 Q N 6.188 126.059 119.800 0.118 0.000 2.401 661 Q HA 0.287 4.628 4.340 0.000 0.000 0.260 661 Q C -1.518 174.695 176.000 0.355 0.000 1.034 661 Q CA -0.583 55.360 55.803 0.234 0.000 0.737 661 Q CB 1.087 29.965 28.738 0.233 0.000 1.227 661 Q HN 0.508 nan 8.270 nan 0.000 0.488 662 W N 2.127 123.565 121.300 0.230 0.000 2.126 662 W HA 0.166 4.826 4.660 0.000 0.000 0.346 662 W C 0.712 177.329 176.519 0.162 0.000 1.279 662 W CA -0.139 57.331 57.345 0.208 0.000 1.259 662 W CB 0.531 30.029 29.460 0.063 0.000 1.133 662 W HN 0.512 nan 8.180 nan 0.000 0.592 663 E N 1.651 121.937 120.200 0.144 0.000 2.418 663 E HA -0.061 4.289 4.350 0.000 0.000 0.261 663 E C 0.243 176.838 176.600 -0.008 0.000 1.070 663 E CA -0.110 56.102 56.400 -0.312 0.000 0.931 663 E CB 0.432 29.768 29.700 -0.605 0.000 0.954 663 E HN 0.318 nan 8.360 nan 0.000 0.439 664 N N 0.288 118.971 118.700 -0.028 0.000 2.476 664 N HA 0.353 5.093 4.740 0.000 0.000 0.287 664 N C 0.355 175.805 175.510 -0.100 0.000 1.262 664 N CA 0.480 53.519 53.050 -0.020 0.000 0.980 664 N CB 0.682 39.191 38.487 0.036 0.000 1.163 664 N HN 0.682 nan 8.380 nan 0.000 0.592 665 G N -0.309 108.429 108.800 -0.104 0.000 2.645 665 G HA2 -0.232 3.729 3.960 0.000 0.000 0.239 665 G HA3 -0.232 3.729 3.960 0.000 0.000 0.239 665 G C -0.579 174.210 174.900 -0.185 0.000 1.331 665 G CA -0.208 44.812 45.100 -0.133 0.000 0.890 665 G HN 0.544 nan 8.290 nan 0.000 0.572 666 S N 0.854 116.438 115.700 -0.194 0.000 2.617 666 S HA 0.477 4.947 4.470 0.000 0.000 0.269 666 S C 0.666 175.106 174.600 -0.267 0.000 1.292 666 S CA -0.621 57.454 58.200 -0.207 0.000 1.010 666 S CB 0.741 63.844 63.200 -0.161 0.000 0.944 666 S HN 0.714 nan 8.310 nan 0.000 0.536 667 N N 2.121 120.693 118.700 -0.213 0.000 2.441 667 N HA 0.024 4.764 4.740 0.000 0.000 0.251 667 N C -0.179 175.164 175.510 -0.278 0.000 1.242 667 N CA 0.380 53.328 53.050 -0.169 0.000 0.898 667 N CB 0.060 38.554 38.487 0.012 0.000 1.100 667 N HN 0.540 nan 8.380 nan 0.000 0.443 668 H N 0.118 118.981 119.070 -0.345 0.000 2.683 668 H HA 0.245 4.802 4.556 0.000 0.000 0.339 668 H C -0.277 174.757 175.328 -0.489 0.000 1.081 668 H CA -0.084 55.652 56.048 -0.519 0.000 1.432 668 H CB 0.866 30.026 29.762 -1.003 0.000 1.462 668 H HN 0.070 nan 8.280 nan 0.000 0.557 669 V N 1.949 121.832 119.914 -0.053 0.000 2.540 669 V HA 0.669 4.790 4.120 0.000 0.000 0.302 669 V C 0.009 176.234 176.094 0.219 0.000 1.035 669 V CA -0.683 61.672 62.300 0.092 0.000 0.873 669 V CB 1.453 33.320 31.823 0.072 0.000 0.992 669 V HN 0.973 nan 8.190 nan 0.000 0.428 670 A N 2.958 125.974 122.820 0.327 0.000 2.606 670 A HA 0.859 5.179 4.320 0.000 0.000 0.293 670 A C -0.557 177.145 177.584 0.198 0.000 1.082 670 A CA -0.603 51.601 52.037 0.280 0.000 0.685 670 A CB 2.036 21.258 19.000 0.369 0.000 1.284 670 A HN 0.614 nan 8.150 nan 0.000 0.408 671 T N 2.144 116.774 114.554 0.127 0.000 2.771 671 T HA 0.581 4.931 4.350 0.000 0.000 0.281 671 T C 0.498 175.235 174.700 0.062 0.000 0.982 671 T CA 0.220 62.375 62.100 0.092 0.000 0.978 671 T CB 0.972 69.883 68.868 0.071 0.000 0.930 671 T HN 1.034 nan 8.240 nan 0.000 0.447 672 T N 2.348 116.937 114.554 0.059 0.000 2.899 672 T HA 0.414 4.764 4.350 0.000 0.000 0.295 672 T C -2.514 172.205 174.700 0.031 0.000 1.033 672 T CA -1.722 60.398 62.100 0.034 0.000 1.084 672 T CB 0.135 69.038 68.868 0.059 0.000 0.979 672 T HN 0.198 nan 8.240 nan 0.000 0.532 673 P HA 0.130 nan 4.420 nan 0.000 0.269 673 P C 1.085 178.405 177.300 0.033 0.000 1.217 673 P CA -0.263 62.850 63.100 0.023 0.000 0.783 673 P CB 0.313 32.024 31.700 0.019 0.000 0.898 674 T N -2.263 112.309 114.554 0.030 0.000 3.057 674 T HA 0.216 4.566 4.350 0.000 0.000 0.254 674 T C 1.111 175.830 174.700 0.032 0.000 1.094 674 T CA 0.332 62.450 62.100 0.031 0.000 1.088 674 T CB -0.484 68.400 68.868 0.026 0.000 0.934 674 T HN 0.449 nan 8.240 nan 0.000 0.497 675 G N 0.355 109.174 108.800 0.031 0.000 2.510 675 G HA2 0.552 4.512 3.960 0.000 0.000 0.280 675 G HA3 0.552 4.512 3.960 0.000 0.000 0.280 675 G C 1.274 176.201 174.900 0.046 0.000 1.386 675 G CA -0.274 44.846 45.100 0.033 0.000 1.047 675 G HN 0.285 nan 8.290 nan 0.000 0.527 676 A N -1.341 121.510 122.820 0.051 0.000 1.933 676 A HA 0.266 4.586 4.320 0.000 0.000 0.218 676 A C 1.562 179.202 177.584 0.094 0.000 1.175 676 A CA 2.276 54.362 52.037 0.082 0.000 0.628 676 A CB -0.780 18.273 19.000 0.088 0.000 0.814 676 A HN 1.355 nan 8.150 nan 0.000 0.444 677 T N -5.673 108.918 114.554 0.061 0.000 2.812 677 T HA 0.684 5.034 4.350 0.000 0.000 0.294 677 T C -0.248 174.475 174.700 0.038 0.000 1.159 677 T CA -0.074 62.062 62.100 0.060 0.000 1.008 677 T CB 1.578 70.467 68.868 0.036 0.000 1.289 677 T HN 1.457 nan 8.240 nan 0.000 0.514 678 G N 0.099 108.919 108.800 0.033 0.000 2.430 678 G HA2 0.537 4.497 3.960 0.000 0.000 0.300 678 G HA3 0.537 4.497 3.960 0.000 0.000 0.300 678 G C -2.296 172.596 174.900 -0.014 0.000 1.330 678 G CA -0.986 44.117 45.100 0.005 0.000 0.813 678 G HN 0.872 nan 8.290 nan 0.000 0.487 679 N N -1.079 117.594 118.700 -0.046 0.000 2.249 679 N HA 0.714 5.454 4.740 0.000 0.000 0.296 679 N C -1.163 174.267 175.510 -0.134 0.000 1.051 679 N CA -0.472 52.535 53.050 -0.071 0.000 0.815 679 N CB 2.460 40.932 38.487 -0.026 0.000 1.487 679 N HN 0.460 nan 8.380 nan 0.000 0.475 680 I N 1.430 121.857 120.570 -0.237 0.000 2.439 680 I HA 0.351 4.521 4.170 0.000 0.000 0.285 680 I C -0.769 175.310 176.117 -0.064 0.000 1.021 680 I CA -0.365 60.790 61.300 -0.242 0.000 1.091 680 I CB 1.849 39.480 38.000 -0.614 0.000 1.242 680 I HN 0.344 nan 8.210 nan 0.000 0.439 681 T N 6.049 120.627 114.554 0.040 0.000 2.841 681 T HA 0.649 4.999 4.350 0.000 0.000 0.285 681 T C -0.349 174.422 174.700 0.119 0.000 0.991 681 T CA -0.551 61.601 62.100 0.087 0.000 0.966 681 T CB 1.877 70.775 68.868 0.050 0.000 0.962 681 T HN 0.406 nan 8.240 nan 0.000 0.438 682 V N 0.606 120.595 119.914 0.125 0.000 3.167 682 V HA 0.877 4.998 4.120 0.000 0.000 0.310 682 V C -0.514 175.633 176.094 0.089 0.000 1.207 682 V CA -0.915 61.441 62.300 0.092 0.000 1.059 682 V CB 2.044 33.813 31.823 -0.089 0.000 1.079 682 V HN 0.715 nan 8.190 nan 0.000 0.446 683 T N 2.177 116.824 114.554 0.154 0.000 2.824 683 T HA 0.333 4.683 4.350 0.000 0.000 0.280 683 T C -0.534 174.343 174.700 0.294 0.000 0.995 683 T CA -0.037 62.177 62.100 0.190 0.000 1.009 683 T CB 1.165 70.133 68.868 0.167 0.000 0.955 683 T HN 0.831 nan 8.240 nan 0.000 0.452 684 W N 3.911 125.270 121.300 0.100 0.000 2.295 684 W HA 0.036 4.696 4.660 0.000 0.000 0.335 684 W C -0.402 176.220 176.519 0.172 0.000 1.351 684 W CA -0.013 57.423 57.345 0.151 0.000 1.273 684 W CB 0.130 29.627 29.460 0.060 0.000 1.214 684 W HN 0.665 nan 8.180 nan 0.000 0.563 685 Q N 5.503 125.288 119.800 -0.024 0.000 2.349 685 Q HA 0.120 4.460 4.340 0.000 0.000 0.254 685 Q C 0.313 176.378 176.000 0.109 0.000 0.980 685 Q CA -0.373 55.447 55.803 0.029 0.000 0.924 685 Q CB 0.936 29.615 28.738 -0.098 0.000 1.209 685 Q HN 0.378 nan 8.270 nan 0.000 0.445 686 N N 0.000 118.847 118.700 0.246 0.000 1.763 686 N HA 0.000 4.740 4.740 0.000 0.000 0.220 686 N CA 0.000 53.219 53.050 0.281 0.000 0.885 686 N CB 0.000 38.627 38.487 0.233 0.000 1.341 686 N HN 0.000 nan 8.380 nan 0.000 0.667