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 1h0i_1_A DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRTK FAQSCVRIMK DYGFDGVDID WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRVA 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.703 174.700 0.005 0.000 1.109 3 T CA 0.000 62.111 62.100 0.018 0.000 1.349 3 T CB 0.000 68.884 68.868 0.026 0.000 0.612 4 R N 1.988 122.495 120.500 0.011 0.000 2.585 4 R HA 0.245 4.585 4.340 -0.000 0.000 0.275 4 R C -0.002 176.259 176.300 -0.064 0.000 1.018 4 R CA -0.303 55.790 56.100 -0.011 0.000 1.072 4 R CB 0.412 30.723 30.300 0.019 0.000 0.953 4 R HN 0.461 nan 8.270 nan 0.000 0.419 5 K N 2.545 122.824 120.400 -0.201 0.000 2.298 5 K HA 0.148 4.468 4.320 -0.000 0.000 0.280 5 K C -0.217 176.235 176.600 -0.248 0.000 1.032 5 K CA -0.056 56.005 56.287 -0.377 0.000 0.958 5 K CB 1.395 33.266 32.500 -1.048 0.000 0.978 5 K HN 0.709 nan 8.250 nan 0.000 0.472 6 A N 2.038 124.729 122.820 -0.215 0.000 2.407 6 A HA 0.336 4.656 4.320 -0.000 0.000 0.248 6 A C -0.286 177.236 177.584 -0.103 0.000 1.082 6 A CA -0.428 51.513 52.037 -0.159 0.000 0.785 6 A CB 0.435 19.146 19.000 -0.483 0.000 1.020 6 A HN 0.367 nan 8.150 nan 0.000 0.489 7 V N 3.994 123.925 119.914 0.030 0.000 2.439 7 V HA 0.254 4.374 4.120 -0.000 0.000 0.277 7 V C -0.597 175.526 176.094 0.048 0.000 1.008 7 V CA 0.058 62.434 62.300 0.127 0.000 0.846 7 V CB 0.769 32.736 31.823 0.239 0.000 1.031 7 V HN 0.702 nan 8.190 nan 0.000 0.441 8 I N 4.141 124.634 120.570 -0.129 0.000 2.330 8 I HA 0.545 4.715 4.170 -0.000 0.000 0.286 8 I C 0.890 176.585 176.117 -0.703 0.000 1.025 8 I CA -0.180 60.928 61.300 -0.321 0.000 1.197 8 I CB 1.534 39.281 38.000 -0.422 0.000 1.358 8 I HN 0.643 nan 8.210 nan 0.000 0.467 9 G N 5.769 114.107 108.800 -0.769 0.000 2.347 9 G HA2 0.426 4.386 3.960 -0.000 0.000 0.314 9 G HA3 0.426 4.386 3.960 -0.000 0.000 0.314 9 G C -0.908 173.614 174.900 -0.631 0.000 1.126 9 G CA -0.292 44.004 45.100 -1.340 0.000 0.929 9 G HN 0.364 nan 8.290 nan 0.000 0.441 10 Y N 1.187 121.188 120.300 -0.498 0.000 2.411 10 Y HA 0.241 4.791 4.550 -0.000 0.000 0.333 10 Y C -0.089 175.665 175.900 -0.242 0.000 1.186 10 Y CA 0.399 58.355 58.100 -0.241 0.000 1.381 10 Y CB 0.988 39.393 38.460 -0.090 0.000 1.273 10 Y HN 0.538 nan 8.280 nan 0.000 0.546 11 Y N 5.589 125.789 120.300 -0.166 0.000 2.338 11 Y HA 0.385 4.934 4.550 -0.000 0.000 0.328 11 Y C -1.827 173.869 175.900 -0.340 0.000 0.965 11 Y CA -1.877 56.134 58.100 -0.149 0.000 1.208 11 Y CB 0.437 38.930 38.460 0.055 0.000 1.132 11 Y HN 0.502 nan 8.280 nan 0.000 0.469 12 F N 8.343 127.585 119.950 -1.179 0.000 2.458 12 F HA 0.672 5.199 4.527 -0.000 0.000 0.336 12 F C -1.571 173.677 175.800 -0.920 0.000 1.114 12 F CA -1.357 55.973 58.000 -1.117 0.000 0.987 12 F CB 0.925 39.165 39.000 -1.267 0.000 1.130 12 F HN 0.474 nan 8.300 nan 0.000 0.458 13 I N 8.590 128.289 120.570 -1.451 0.000 2.500 13 I HA 0.461 4.631 4.170 -0.000 0.000 0.286 13 I C -2.645 172.883 176.117 -0.981 0.000 1.063 13 I CA -2.562 58.188 61.300 -0.917 0.000 1.062 13 I CB 1.939 39.776 38.000 -0.272 0.000 1.223 13 I HN 0.423 nan 8.210 nan 0.000 0.435 14 P HA 0.109 nan 4.420 nan 0.000 0.267 14 P C 0.540 177.774 177.300 -0.110 0.000 1.200 14 P CA 0.008 62.883 63.100 -0.375 0.000 0.772 14 P CB 0.604 32.237 31.700 -0.112 0.000 0.855 15 T N 0.444 115.017 114.554 0.032 0.000 2.778 15 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 15 T C 1.605 176.366 174.700 0.101 0.000 1.050 15 T CA 1.437 63.616 62.100 0.131 0.000 1.137 15 T CB -0.667 68.321 68.868 0.200 0.000 0.860 15 T HN 0.577 nan 8.240 nan 0.000 0.468 16 N N 0.575 119.318 118.700 0.071 0.000 2.244 16 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 16 N C 1.853 177.404 175.510 0.069 0.000 1.016 16 N CA 0.804 53.894 53.050 0.066 0.000 0.866 16 N CB 0.045 38.563 38.487 0.052 0.000 0.980 16 N HN 0.546 nan 8.380 nan 0.000 0.430 17 Q N 0.157 119.994 119.800 0.062 0.000 2.245 17 Q HA 0.020 4.360 4.340 -0.000 0.000 0.201 17 Q C 2.103 178.213 176.000 0.183 0.000 0.955 17 Q CA 0.562 56.421 55.803 0.094 0.000 0.870 17 Q CB 0.281 29.058 28.738 0.065 0.000 0.945 17 Q HN 0.469 nan 8.270 nan 0.000 0.461 18 I N 1.336 122.006 120.570 0.166 0.000 2.163 18 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 18 I C 1.556 177.764 176.117 0.150 0.000 1.081 18 I CA 0.870 62.280 61.300 0.184 0.000 1.353 18 I CB -0.338 37.754 38.000 0.154 0.000 1.054 18 I HN 0.194 nan 8.210 nan 0.000 0.407 19 N N 1.168 119.932 118.700 0.108 0.000 2.348 19 N HA -0.146 4.594 4.740 -0.000 0.000 0.185 19 N C 0.646 176.208 175.510 0.086 0.000 1.019 19 N CA 1.059 54.157 53.050 0.080 0.000 0.880 19 N CB -0.393 38.135 38.487 0.067 0.000 0.965 19 N HN 0.466 nan 8.380 nan 0.000 0.437 20 N N -0.388 118.375 118.700 0.105 0.000 2.416 20 N HA -0.020 4.720 4.740 -0.000 0.000 0.267 20 N C -0.716 174.852 175.510 0.097 0.000 1.294 20 N CA -0.290 52.809 53.050 0.081 0.000 0.891 20 N CB 0.467 38.984 38.487 0.050 0.000 1.238 20 N HN 0.163 nan 8.380 nan 0.000 0.508 21 Y N 2.167 122.485 120.300 0.030 0.000 2.811 21 Y HA -0.015 4.535 4.550 -0.000 0.000 0.334 21 Y C 0.586 176.502 175.900 0.028 0.000 1.247 21 Y CA 1.043 59.167 58.100 0.039 0.000 1.526 21 Y CB 0.539 39.026 38.460 0.045 0.000 1.284 21 Y HN -0.072 nan 8.280 nan 0.000 0.586 22 T N 5.148 119.283 114.554 -0.698 0.000 2.977 22 T HA 0.251 4.601 4.350 -0.000 0.000 0.345 22 T C -0.657 173.713 174.700 -0.549 0.000 1.562 22 T CA -0.715 61.122 62.100 -0.438 0.000 1.090 22 T CB 0.875 69.629 68.868 -0.190 0.000 1.383 22 T HN 0.748 nan 8.240 nan 0.000 0.484 23 E N 1.897 121.901 120.200 -0.327 0.000 2.558 23 E HA 0.150 4.499 4.350 -0.000 0.000 0.205 23 E C 0.695 177.214 176.600 -0.136 0.000 1.006 23 E CA 0.077 56.339 56.400 -0.229 0.000 0.961 23 E CB 0.595 30.222 29.700 -0.123 0.000 1.044 23 E HN 0.705 nan 8.360 nan 0.000 0.465 24 T N -2.381 112.100 114.554 -0.122 0.000 3.170 24 T HA 0.120 4.470 4.350 -0.000 0.000 0.288 24 T C 0.033 174.692 174.700 -0.067 0.000 0.992 24 T CA -0.433 61.620 62.100 -0.078 0.000 0.909 24 T CB 0.401 69.235 68.868 -0.057 0.000 1.133 24 T HN -0.153 nan 8.240 nan 0.000 0.530 25 D N 1.889 122.242 120.400 -0.080 0.000 2.328 25 D HA 0.176 4.816 4.640 -0.000 0.000 0.243 25 D C 1.244 177.513 176.300 -0.051 0.000 1.324 25 D CA -0.070 53.896 54.000 -0.056 0.000 0.966 25 D CB 1.631 42.401 40.800 -0.050 0.000 1.324 25 D HN 0.196 nan 8.370 nan 0.000 0.549 26 T N -1.038 113.494 114.554 -0.037 0.000 2.946 26 T HA -0.177 4.173 4.350 -0.000 0.000 0.271 26 T C 1.710 176.405 174.700 -0.007 0.000 1.104 26 T CA 1.421 63.510 62.100 -0.017 0.000 1.114 26 T CB -0.084 68.782 68.868 -0.004 0.000 0.867 26 T HN 0.233 nan 8.240 nan 0.000 0.513 27 S N 0.251 115.943 115.700 -0.014 0.000 2.489 27 S HA 0.080 4.550 4.470 -0.000 0.000 0.228 27 S C 1.746 176.341 174.600 -0.009 0.000 0.995 27 S CA 0.333 58.527 58.200 -0.010 0.000 0.934 27 S CB -0.359 62.834 63.200 -0.012 0.000 0.771 27 S HN 0.425 nan 8.310 nan 0.000 0.522 28 V N 0.368 120.272 119.914 -0.017 0.000 2.690 28 V HA 0.315 4.435 4.120 -0.000 0.000 0.240 28 V C 0.475 176.562 176.094 -0.011 0.000 1.078 28 V CA 0.366 62.657 62.300 -0.015 0.000 1.102 28 V CB 0.317 32.123 31.823 -0.028 0.000 0.800 28 V HN 0.401 nan 8.190 nan 0.000 0.479 29 V N 1.712 121.607 119.914 -0.030 0.000 2.357 29 V HA 0.309 4.429 4.120 -0.000 0.000 0.281 29 V C -1.930 174.177 176.094 0.022 0.000 1.015 29 V CA -0.966 61.327 62.300 -0.011 0.000 0.827 29 V CB 1.475 33.236 31.823 -0.103 0.000 1.018 29 V HN 0.260 nan 8.190 nan 0.000 0.432 30 P HA -0.076 nan 4.420 nan 0.000 0.217 30 P C 0.207 177.632 177.300 0.209 0.000 1.150 30 P CA 1.268 64.436 63.100 0.114 0.000 0.832 30 P CB 0.208 31.980 31.700 0.121 0.000 0.787 31 F N 0.583 120.581 119.950 0.080 0.000 2.660 31 F HA 0.388 4.914 4.527 -0.000 0.000 0.352 31 F C -2.561 173.386 175.800 0.244 0.000 1.257 31 F CA -2.796 55.295 58.000 0.151 0.000 1.200 31 F CB 0.997 40.112 39.000 0.192 0.000 1.473 31 F HN -0.176 nan 8.300 nan 0.000 0.561 32 P HA 0.086 nan 4.420 nan 0.000 0.276 32 P C 1.016 178.421 177.300 0.176 0.000 1.261 32 P CA -0.143 63.070 63.100 0.189 0.000 0.800 32 P CB 1.888 33.520 31.700 -0.112 0.000 1.066 33 V N 0.903 121.014 119.914 0.328 0.000 2.453 33 V HA -0.260 3.860 4.120 -0.000 0.000 0.252 33 V C 2.667 178.764 176.094 0.006 0.000 1.068 33 V CA 2.806 65.164 62.300 0.098 0.000 1.070 33 V CB -1.855 30.012 31.823 0.074 0.000 0.664 33 V HN 0.736 nan 8.190 nan 0.000 0.461 34 S N 0.297 116.006 115.700 0.015 0.000 2.440 34 S HA -0.242 4.228 4.470 -0.000 0.000 0.240 34 S C 1.676 176.207 174.600 -0.115 0.000 1.014 34 S CA 1.532 59.709 58.200 -0.038 0.000 0.980 34 S CB -0.734 62.446 63.200 -0.032 0.000 0.775 34 S HN 0.683 nan 8.310 nan 0.000 0.499 35 N N 1.304 119.856 118.700 -0.247 0.000 2.453 35 N HA 0.089 4.829 4.740 -0.000 0.000 0.183 35 N C 0.168 175.584 175.510 -0.158 0.000 1.041 35 N CA 0.700 53.523 53.050 -0.377 0.000 0.900 35 N CB -0.169 37.642 38.487 -1.127 0.000 0.961 35 N HN 0.528 nan 8.380 nan 0.000 0.443 36 I N 2.377 122.913 120.570 -0.058 0.000 2.224 36 I HA 0.003 4.173 4.170 -0.000 0.000 0.293 36 I C 0.858 176.973 176.117 -0.003 0.000 1.155 36 I CA -0.372 60.957 61.300 0.049 0.000 1.297 36 I CB 0.002 38.051 38.000 0.081 0.000 1.487 36 I HN -0.059 nan 8.210 nan 0.000 0.564 37 T N 2.231 116.773 114.554 -0.021 0.000 2.734 37 T HA 0.130 4.480 4.350 -0.000 0.000 0.314 37 T C -1.634 172.997 174.700 -0.115 0.000 1.057 37 T CA -1.148 60.908 62.100 -0.074 0.000 1.047 37 T CB 0.602 69.435 68.868 -0.058 0.000 0.991 37 T HN 0.176 nan 8.240 nan 0.000 0.540 38 P HA 0.006 nan 4.420 nan 0.000 0.217 38 P C 1.679 178.913 177.300 -0.109 0.000 1.150 38 P CA 1.434 64.323 63.100 -0.352 0.000 0.832 38 P CB -0.356 30.982 31.700 -0.604 0.000 0.787 39 A N 0.002 122.778 122.820 -0.073 0.000 1.933 39 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 39 A C 2.027 179.620 177.584 0.015 0.000 1.175 39 A CA 1.761 53.787 52.037 -0.018 0.000 0.628 39 A CB -0.923 18.069 19.000 -0.015 0.000 0.814 39 A HN 0.190 nan 8.150 nan 0.000 0.444 40 K N -0.490 119.925 120.400 0.025 0.000 2.186 40 K HA 0.168 4.488 4.320 -0.000 0.000 0.202 40 K C 2.234 178.887 176.600 0.088 0.000 1.052 40 K CA 0.748 57.078 56.287 0.072 0.000 0.965 40 K CB -0.216 32.347 32.500 0.105 0.000 0.746 40 K HN 0.396 nan 8.250 nan 0.000 0.457 41 A N 2.184 125.043 122.820 0.065 0.000 1.933 41 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 41 A C 1.803 179.440 177.584 0.088 0.000 1.175 41 A CA 1.460 53.548 52.037 0.086 0.000 0.628 41 A CB -0.254 18.807 19.000 0.101 0.000 0.814 41 A HN 0.178 nan 8.150 nan 0.000 0.444 42 K N -0.558 119.887 120.400 0.074 0.000 2.288 42 K HA -0.094 4.226 4.320 -0.000 0.000 0.201 42 K C 1.898 178.544 176.600 0.076 0.000 1.048 42 K CA 1.230 57.560 56.287 0.071 0.000 0.956 42 K CB -0.083 32.453 32.500 0.059 0.000 0.746 42 K HN 0.636 nan 8.250 nan 0.000 0.461 43 Q N 0.177 120.028 119.800 0.085 0.000 2.432 43 Q HA 0.091 4.431 4.340 -0.000 0.000 0.205 43 Q C 0.113 176.196 176.000 0.137 0.000 0.945 43 Q CA 0.276 56.138 55.803 0.099 0.000 0.924 43 Q CB 0.239 29.028 28.738 0.085 0.000 1.016 43 Q HN 0.198 nan 8.270 nan 0.000 0.503 44 L N -0.111 121.194 121.223 0.137 0.000 2.344 44 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 44 L C 1.175 178.109 176.870 0.106 0.000 1.035 44 L CA -0.219 54.711 54.840 0.150 0.000 0.807 44 L CB 1.524 43.672 42.059 0.148 0.000 1.237 44 L HN 0.035 nan 8.230 nan 0.000 0.442 45 T N -3.695 110.932 114.554 0.121 0.000 2.978 45 T HA 0.242 4.592 4.350 -0.000 0.000 0.248 45 T C 0.227 174.892 174.700 -0.058 0.000 1.018 45 T CA 0.105 62.246 62.100 0.068 0.000 1.026 45 T CB 0.084 69.055 68.868 0.172 0.000 1.032 45 T HN 0.535 nan 8.240 nan 0.000 0.485 46 H N -0.494 118.564 119.070 -0.021 0.000 2.974 46 H HA 0.687 5.243 4.556 -0.000 0.000 0.366 46 H C -1.391 173.886 175.328 -0.086 0.000 1.155 46 H CA -0.896 55.127 56.048 -0.042 0.000 1.186 46 H CB 1.683 31.390 29.762 -0.092 0.000 1.799 46 H HN 0.154 nan 8.280 nan 0.000 0.541 47 I N 2.343 122.962 120.570 0.082 0.000 2.439 47 I HA 0.229 4.399 4.170 -0.000 0.000 0.285 47 I C -0.635 175.508 176.117 0.044 0.000 1.021 47 I CA -0.787 60.533 61.300 0.033 0.000 1.091 47 I CB 1.305 39.361 38.000 0.094 0.000 1.242 47 I HN 0.491 nan 8.210 nan 0.000 0.439 48 N N 6.497 125.125 118.700 -0.119 0.000 2.500 48 N HA 0.207 4.946 4.740 -0.000 0.000 0.236 48 N C -0.616 174.928 175.510 0.057 0.000 1.022 48 N CA -0.304 52.661 53.050 -0.142 0.000 0.935 48 N CB 0.575 38.668 38.487 -0.658 0.000 1.147 48 N HN 0.379 nan 8.380 nan 0.000 0.512 49 F N 1.936 121.942 119.950 0.093 0.000 2.538 49 F HA 0.163 4.690 4.527 -0.000 0.000 0.371 49 F C 0.094 175.931 175.800 0.061 0.000 1.087 49 F CA 0.136 58.243 58.000 0.179 0.000 1.250 49 F CB 0.431 39.626 39.000 0.325 0.000 1.110 49 F HN 0.192 nan 8.300 nan 0.000 0.570 50 S N 6.170 121.282 115.700 -0.981 0.000 2.521 50 S HA 0.711 5.181 4.470 -0.000 0.000 0.295 50 S C -1.320 172.848 174.600 -0.720 0.000 1.098 50 S CA -0.473 57.202 58.200 -0.876 0.000 0.999 50 S CB 1.285 63.758 63.200 -1.212 0.000 1.034 50 S HN 0.473 nan 8.310 nan 0.000 0.483 51 F N 1.120 121.071 119.950 0.002 0.000 2.603 51 F HA 0.663 5.189 4.527 -0.000 0.000 0.317 51 F C -0.457 175.464 175.800 0.201 0.000 1.066 51 F CA -0.904 57.186 58.000 0.149 0.000 0.941 51 F CB 1.111 40.266 39.000 0.257 0.000 1.291 51 F HN 0.318 nan 8.300 nan 0.000 0.472 52 L N 1.039 122.479 121.223 0.362 0.000 2.365 52 L HA 0.558 4.898 4.340 -0.000 0.000 0.267 52 L C -0.471 176.519 176.870 0.201 0.000 1.033 52 L CA -0.175 54.712 54.840 0.080 0.000 0.802 52 L CB 1.329 43.312 42.059 -0.126 0.000 1.267 52 L HN 0.628 nan 8.230 nan 0.000 0.457 53 D N -0.886 119.483 120.400 -0.051 0.000 2.758 53 D HA 0.547 5.187 4.640 -0.000 0.000 0.279 53 D C -1.399 174.774 176.300 -0.212 0.000 1.111 53 D CA -0.318 53.558 54.000 -0.206 0.000 1.109 53 D CB 1.375 41.685 40.800 -0.817 0.000 1.428 53 D HN 0.268 nan 8.370 nan 0.000 0.586 54 I N 2.380 122.711 120.570 -0.398 0.000 2.439 54 I HA 0.269 4.439 4.170 -0.000 0.000 0.283 54 I C -0.083 175.818 176.117 -0.361 0.000 1.023 54 I CA -0.902 60.132 61.300 -0.444 0.000 1.100 54 I CB 1.236 38.681 38.000 -0.926 0.000 1.238 54 I HN 0.344 nan 8.210 nan 0.000 0.445 55 N N 3.705 122.276 118.700 -0.214 0.000 2.328 55 N HA 0.050 4.790 4.740 -0.000 0.000 0.277 55 N C 1.035 176.453 175.510 -0.153 0.000 1.286 55 N CA -0.227 52.727 53.050 -0.160 0.000 0.949 55 N CB 0.135 38.571 38.487 -0.086 0.000 1.136 55 N HN 0.508 nan 8.380 nan 0.000 0.550 56 S N -1.942 113.695 115.700 -0.105 0.000 2.481 56 S HA -0.041 4.429 4.470 -0.000 0.000 0.231 56 S C 0.760 175.315 174.600 -0.076 0.000 0.996 56 S CA 0.274 58.419 58.200 -0.091 0.000 0.942 56 S CB -0.545 62.618 63.200 -0.062 0.000 0.768 56 S HN 0.554 nan 8.310 nan 0.000 0.520 57 N N 1.790 120.454 118.700 -0.060 0.000 2.449 57 N HA 0.243 4.983 4.740 -0.000 0.000 0.191 57 N C 0.173 175.656 175.510 -0.045 0.000 1.161 57 N CA 0.216 53.242 53.050 -0.040 0.000 0.863 57 N CB -0.345 38.131 38.487 -0.019 0.000 0.980 57 N HN 0.448 nan 8.380 nan 0.000 0.458 58 L N 0.039 121.210 121.223 -0.086 0.000 3.634 58 L HA -0.265 4.075 4.340 -0.000 0.000 0.423 58 L C -0.548 176.318 176.870 -0.007 0.000 1.253 58 L CA 0.938 55.709 54.840 -0.114 0.000 0.885 58 L CB -1.826 40.169 42.059 -0.106 0.000 1.789 58 L HN 0.221 nan 8.230 nan 0.000 0.904 59 E N -0.807 119.402 120.200 0.015 0.000 2.369 59 E HA 0.378 4.728 4.350 -0.000 0.000 0.270 59 E C -0.407 176.248 176.600 0.092 0.000 0.909 59 E CA -0.852 55.615 56.400 0.112 0.000 0.775 59 E CB 2.626 32.355 29.700 0.049 0.000 1.270 59 E HN 0.270 nan 8.360 nan 0.000 0.445 60 C N 1.911 121.285 119.300 0.123 0.000 2.642 60 C HA 0.584 5.044 4.460 -0.000 0.000 0.420 60 C C 0.029 175.018 174.990 -0.003 0.000 1.349 60 C CA 0.280 59.342 59.018 0.074 0.000 1.821 60 C CB -1.597 26.168 27.740 0.041 0.000 2.637 60 C HN 0.651 nan 8.230 nan 0.000 0.605 61 A N 5.140 127.929 122.820 -0.052 0.000 2.599 61 A HA 0.624 4.944 4.320 -0.000 0.000 0.294 61 A C -1.361 176.193 177.584 -0.050 0.000 1.055 61 A CA -0.661 51.363 52.037 -0.021 0.000 0.683 61 A CB 0.098 19.114 19.000 0.026 0.000 1.278 61 A HN 0.933 nan 8.150 nan 0.000 0.412 62 W N 0.959 122.240 121.300 -0.032 0.000 2.126 62 W HA 0.399 5.059 4.660 -0.000 0.000 0.346 62 W C 0.647 177.179 176.519 0.021 0.000 1.279 62 W CA 0.979 58.333 57.345 0.014 0.000 1.259 62 W CB 0.471 29.925 29.460 -0.010 0.000 1.133 62 W HN 0.747 nan 8.180 nan 0.000 0.592 63 D N 2.271 122.871 120.400 0.335 0.000 2.487 63 D HA -0.005 4.635 4.640 -0.000 0.000 0.243 63 D C -1.424 175.001 176.300 0.208 0.000 1.154 63 D CA -1.314 52.820 54.000 0.223 0.000 0.876 63 D CB 1.156 42.163 40.800 0.345 0.000 1.161 63 D HN -0.042 nan 8.370 nan 0.000 0.478 64 P HA -0.171 nan 4.420 nan 0.000 0.218 64 P C 0.616 177.979 177.300 0.106 0.000 1.150 64 P CA 1.895 65.058 63.100 0.104 0.000 0.841 64 P CB 0.115 31.858 31.700 0.071 0.000 0.784 65 A N -1.901 120.995 122.820 0.128 0.000 2.238 65 A HA 0.046 4.366 4.320 -0.000 0.000 0.208 65 A C 0.860 178.510 177.584 0.111 0.000 1.177 65 A CA 0.570 52.675 52.037 0.113 0.000 0.804 65 A CB -1.100 17.975 19.000 0.126 0.000 0.823 65 A HN 0.115 nan 8.150 nan 0.000 0.482 66 T N 1.977 116.611 114.554 0.133 0.000 2.834 66 T HA 0.070 4.420 4.350 -0.000 0.000 0.298 66 T C 0.308 175.016 174.700 0.015 0.000 0.966 66 T CA -0.344 61.818 62.100 0.104 0.000 1.141 66 T CB 0.267 69.231 68.868 0.160 0.000 0.905 66 T HN 0.412 nan 8.240 nan 0.000 0.535 67 N N 2.921 121.618 118.700 -0.005 0.000 2.402 67 N HA -0.027 4.713 4.740 -0.000 0.000 0.259 67 N C 0.786 176.228 175.510 -0.115 0.000 1.167 67 N CA -0.059 52.969 53.050 -0.036 0.000 0.949 67 N CB 0.842 39.322 38.487 -0.013 0.000 1.212 67 N HN 0.634 nan 8.380 nan 0.000 0.493 68 D N 3.744 124.061 120.400 -0.138 0.000 2.158 68 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 68 D C 1.658 177.837 176.300 -0.202 0.000 0.995 68 D CA 1.847 55.715 54.000 -0.220 0.000 0.846 68 D CB 0.276 40.989 40.800 -0.145 0.000 0.941 68 D HN 0.657 nan 8.370 nan 0.000 0.456 69 A N 0.230 122.969 122.820 -0.135 0.000 1.930 69 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 69 A C 2.091 179.598 177.584 -0.129 0.000 1.175 69 A CA 1.170 53.134 52.037 -0.121 0.000 0.627 69 A CB -0.338 18.613 19.000 -0.080 0.000 0.815 69 A HN 0.076 nan 8.150 nan 0.000 0.443 70 K N 0.014 120.347 120.400 -0.113 0.000 2.097 70 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 70 K C 2.262 178.751 176.600 -0.186 0.000 1.050 70 K CA 1.215 57.442 56.287 -0.099 0.000 0.938 70 K CB -0.700 31.782 32.500 -0.031 0.000 0.718 70 K HN 0.449 nan 8.250 nan 0.000 0.442 71 A N 1.826 124.486 122.820 -0.266 0.000 1.858 71 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 71 A C 2.256 179.621 177.584 -0.364 0.000 1.190 71 A CA 1.414 53.191 52.037 -0.434 0.000 0.617 71 A CB -0.480 17.951 19.000 -0.949 0.000 0.827 71 A HN 0.248 nan 8.150 nan 0.000 0.443 72 R N -0.655 119.680 120.500 -0.274 0.000 2.105 72 R HA -0.173 4.166 4.340 -0.000 0.000 0.239 72 R C 1.951 178.132 176.300 -0.198 0.000 1.135 72 R CA 1.571 57.561 56.100 -0.183 0.000 0.967 72 R CB -0.435 29.746 30.300 -0.198 0.000 0.861 72 R HN 0.684 nan 8.270 nan 0.000 0.442 73 D N -0.010 120.272 120.400 -0.197 0.000 2.117 73 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 73 D C 1.706 177.859 176.300 -0.244 0.000 0.987 73 D CA 0.944 54.835 54.000 -0.182 0.000 0.829 73 D CB 0.197 40.911 40.800 -0.144 0.000 0.961 73 D HN -0.053 nan 8.370 nan 0.000 0.460 74 V N -0.272 119.439 119.914 -0.339 0.000 2.358 74 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 74 V C 2.581 178.534 176.094 -0.234 0.000 1.047 74 V CA 1.161 63.221 62.300 -0.400 0.000 1.035 74 V CB -0.298 31.288 31.823 -0.394 0.000 0.658 74 V HN 0.149 nan 8.190 nan 0.000 0.452 75 V N 0.714 120.478 119.914 -0.250 0.000 2.343 75 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 75 V C 2.337 178.309 176.094 -0.204 0.000 1.051 75 V CA 2.104 64.248 62.300 -0.260 0.000 1.036 75 V CB -0.875 30.745 31.823 -0.338 0.000 0.654 75 V HN 0.559 nan 8.190 nan 0.000 0.451 76 N N 0.287 118.874 118.700 -0.187 0.000 2.223 76 N HA -0.147 4.593 4.740 -0.000 0.000 0.185 76 N C 1.942 177.392 175.510 -0.101 0.000 1.016 76 N CA 1.275 54.238 53.050 -0.144 0.000 0.863 76 N CB -0.361 38.046 38.487 -0.134 0.000 0.983 76 N HN 0.491 nan 8.380 nan 0.000 0.429 77 R N 0.291 120.731 120.500 -0.100 0.000 2.092 77 R HA 0.055 4.395 4.340 -0.000 0.000 0.231 77 R C 2.200 178.476 176.300 -0.040 0.000 1.119 77 R CA 0.670 56.738 56.100 -0.055 0.000 0.970 77 R CB -0.286 29.986 30.300 -0.047 0.000 0.864 77 R HN 0.206 nan 8.270 nan 0.000 0.440 78 L N 0.147 121.334 121.223 -0.060 0.000 2.027 78 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 78 L C 2.633 179.499 176.870 -0.006 0.000 1.074 78 L CA 1.749 56.570 54.840 -0.032 0.000 0.745 78 L CB -0.784 41.273 42.059 -0.004 0.000 0.898 78 L HN 0.367 nan 8.230 nan 0.000 0.433 79 T N -2.735 111.798 114.554 -0.034 0.000 2.915 79 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 79 T C 1.847 176.532 174.700 -0.026 0.000 1.071 79 T CA 0.794 62.879 62.100 -0.026 0.000 1.132 79 T CB -0.317 68.512 68.868 -0.066 0.000 0.878 79 T HN 0.302 nan 8.240 nan 0.000 0.479 80 A N 1.512 124.315 122.820 -0.029 0.000 2.067 80 A HA 0.230 4.550 4.320 -0.000 0.000 0.219 80 A C 2.301 179.881 177.584 -0.006 0.000 1.158 80 A CA 0.813 52.833 52.037 -0.028 0.000 0.661 80 A CB -0.851 18.141 19.000 -0.014 0.000 0.801 80 A HN 0.574 nan 8.150 nan 0.000 0.452 81 L N -0.982 120.270 121.223 0.048 0.000 2.275 81 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 81 L C 2.207 179.126 176.870 0.082 0.000 1.119 81 L CA 1.162 56.087 54.840 0.141 0.000 0.790 81 L CB -0.356 41.771 42.059 0.113 0.000 0.919 81 L HN 0.326 nan 8.230 nan 0.000 0.443 82 K N 0.290 120.694 120.400 0.007 0.000 2.360 82 K HA -0.095 4.224 4.320 -0.000 0.000 0.201 82 K C 2.134 178.689 176.600 -0.075 0.000 1.046 82 K CA 0.962 57.240 56.287 -0.016 0.000 0.945 82 K CB -0.158 32.332 32.500 -0.017 0.000 0.750 82 K HN 0.292 nan 8.250 nan 0.000 0.464 83 A N 0.465 123.177 122.820 -0.180 0.000 2.067 83 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 83 A C 1.146 178.515 177.584 -0.358 0.000 1.158 83 A CA 1.261 53.120 52.037 -0.297 0.000 0.661 83 A CB -0.503 18.250 19.000 -0.413 0.000 0.801 83 A HN 0.379 nan 8.150 nan 0.000 0.452 84 H N -2.029 117.042 119.070 0.001 0.000 2.575 84 H HA 0.197 4.753 4.556 -0.000 0.000 0.267 84 H C -0.004 175.329 175.328 0.008 0.000 0.966 84 H CA 0.486 56.538 56.048 0.006 0.000 1.165 84 H CB 0.375 30.143 29.762 0.010 0.000 1.433 84 H HN 0.428 nan 8.280 nan 0.000 0.544 85 N N 0.284 119.029 118.700 0.074 0.000 2.699 85 N HA 0.049 4.789 4.740 -0.000 0.000 0.271 85 N C -2.463 173.054 175.510 0.013 0.000 1.216 85 N CA -1.759 51.322 53.050 0.051 0.000 0.844 85 N CB 1.464 39.990 38.487 0.065 0.000 1.462 85 N HN -0.130 nan 8.380 nan 0.000 0.555 86 P HA 0.020 nan 4.420 nan 0.000 0.231 86 P C 0.333 177.620 177.300 -0.021 0.000 1.158 86 P CA 0.629 63.720 63.100 -0.015 0.000 0.763 86 P CB 0.508 32.199 31.700 -0.014 0.000 0.805 87 S N -0.879 114.811 115.700 -0.017 0.000 2.511 87 S HA 0.105 4.575 4.470 -0.000 0.000 0.214 87 S C 0.722 175.280 174.600 -0.069 0.000 0.997 87 S CA -0.426 57.754 58.200 -0.033 0.000 0.908 87 S CB -0.319 62.873 63.200 -0.013 0.000 0.803 87 S HN 0.078 nan 8.310 nan 0.000 0.504 88 L N 3.284 124.480 121.223 -0.046 0.000 2.453 88 L HA 0.282 4.621 4.340 -0.000 0.000 0.272 88 L C -0.048 176.778 176.870 -0.075 0.000 1.182 88 L CA 0.523 55.327 54.840 -0.059 0.000 0.858 88 L CB 0.275 42.335 42.059 0.002 0.000 1.120 88 L HN 0.009 nan 8.230 nan 0.000 0.474 89 R N 5.713 126.135 120.500 -0.129 0.000 2.534 89 R HA 0.536 4.875 4.340 -0.000 0.000 0.301 89 R C -1.184 175.154 176.300 0.063 0.000 0.961 89 R CA -0.944 55.125 56.100 -0.051 0.000 0.871 89 R CB 1.662 31.877 30.300 -0.142 0.000 1.170 89 R HN 0.483 nan 8.270 nan 0.000 0.446 90 I N 4.815 125.486 120.570 0.169 0.000 2.307 90 I HA 0.242 4.412 4.170 -0.000 0.000 0.287 90 I C 0.292 176.660 176.117 0.418 0.000 1.054 90 I CA -0.270 61.198 61.300 0.281 0.000 1.218 90 I CB 0.668 38.852 38.000 0.307 0.000 1.398 90 I HN 0.507 nan 8.210 nan 0.000 0.475 91 M N 6.363 126.135 119.600 0.286 0.000 2.371 91 M HA 0.461 4.941 4.480 -0.000 0.000 0.301 91 M C -0.312 176.023 176.300 0.059 0.000 1.173 91 M CA -0.463 54.945 55.300 0.180 0.000 1.020 91 M CB 1.202 33.836 32.600 0.058 0.000 1.490 91 M HN 0.375 nan 8.290 nan 0.000 0.485 92 F N -1.103 118.614 119.950 -0.388 0.000 2.540 92 F HA 0.714 5.241 4.527 -0.000 0.000 0.317 92 F C -0.366 175.324 175.800 -0.183 0.000 1.104 92 F CA -1.076 56.581 58.000 -0.571 0.000 0.913 92 F CB 1.247 39.352 39.000 -1.492 0.000 1.170 92 F HN 0.469 nan 8.300 nan 0.000 0.450 93 S N 4.033 119.743 115.700 0.016 0.000 2.462 93 S HA 0.677 5.147 4.470 -0.000 0.000 0.294 93 S C -0.669 174.119 174.600 0.314 0.000 1.144 93 S CA -0.653 57.642 58.200 0.157 0.000 1.088 93 S CB 0.371 63.846 63.200 0.457 0.000 1.009 93 S HN 0.625 nan 8.310 nan 0.000 0.484 94 I N 5.163 125.865 120.570 0.220 0.000 2.312 94 I HA 0.578 4.747 4.170 -0.000 0.000 0.290 94 I C 1.036 177.328 176.117 0.293 0.000 1.008 94 I CA 0.090 61.559 61.300 0.282 0.000 1.226 94 I CB 0.733 38.878 38.000 0.241 0.000 1.371 94 I HN 0.981 nan 8.210 nan 0.000 0.468 95 G N 4.317 113.279 108.800 0.269 0.000 2.390 95 G HA2 0.339 4.299 3.960 -0.000 0.000 0.202 95 G HA3 0.339 4.299 3.960 -0.000 0.000 0.202 95 G C -0.073 174.406 174.900 -0.703 0.000 1.210 95 G CA 0.013 45.083 45.100 -0.049 0.000 1.271 95 G HN 1.404 nan 8.290 nan 0.000 0.543 96 G N -2.027 106.162 108.800 -1.019 0.000 2.612 96 G HA2 0.130 4.090 3.960 -0.000 0.000 0.686 96 G HA3 0.130 4.090 3.960 -0.000 0.000 0.686 96 G C 0.663 175.107 174.900 -0.759 0.000 1.274 96 G CA 0.454 44.661 45.100 -1.488 0.000 0.849 96 G HN 1.903 nan 8.290 nan 0.000 0.595 97 W N 0.391 121.253 121.300 -0.730 0.000 2.355 97 W HA -0.173 4.487 4.660 -0.000 0.000 0.309 97 W C 2.056 178.356 176.519 -0.365 0.000 1.206 97 W CA 2.604 59.647 57.345 -0.504 0.000 1.284 97 W CB -0.342 28.864 29.460 -0.422 0.000 1.145 97 W HN 0.695 nan 8.180 nan 0.000 0.502 98 Y N 0.792 120.879 120.300 -0.355 0.000 2.069 98 Y HA -0.355 4.195 4.550 -0.000 0.000 0.278 98 Y C 2.432 178.139 175.900 -0.323 0.000 1.175 98 Y CA 2.709 60.606 58.100 -0.338 0.000 1.134 98 Y CB -1.321 36.927 38.460 -0.353 0.000 0.965 98 Y HN -0.062 nan 8.280 nan 0.000 0.498 99 Y N -0.830 119.215 120.300 -0.425 0.000 2.206 99 Y HA -0.060 4.490 4.550 -0.000 0.000 0.292 99 Y C 2.907 178.447 175.900 -0.600 0.000 1.123 99 Y CA 1.210 59.031 58.100 -0.466 0.000 1.142 99 Y CB -1.215 37.116 38.460 -0.214 0.000 1.006 99 Y HN 0.260 nan 8.280 nan 0.000 0.518 100 S N 0.056 115.359 115.700 -0.661 0.000 2.535 100 S HA 0.047 4.517 4.470 -0.000 0.000 0.214 100 S C 0.502 174.738 174.600 -0.608 0.000 0.980 100 S CA -0.248 57.367 58.200 -0.974 0.000 0.907 100 S CB -1.240 61.127 63.200 -1.389 0.000 0.790 100 S HN 0.501 nan 8.310 nan 0.000 0.510 101 N N 1.968 120.167 118.700 -0.836 0.000 2.340 101 N HA 0.023 4.762 4.740 -0.000 0.000 0.236 101 N C 0.211 175.342 175.510 -0.631 0.000 1.296 101 N CA 0.214 52.647 53.050 -1.028 0.000 0.896 101 N CB 0.128 37.259 38.487 -2.259 0.000 1.127 101 N HN -0.144 nan 8.380 nan 0.000 0.442 102 D N 0.166 120.218 120.400 -0.580 0.000 2.220 102 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 102 D C 0.890 176.755 176.300 -0.726 0.000 1.001 102 D CA 1.495 55.028 54.000 -0.778 0.000 0.875 102 D CB -0.128 40.442 40.800 -0.382 0.000 0.921 102 D HN 0.566 nan 8.370 nan 0.000 0.454 103 L N -0.420 120.522 121.223 -0.467 0.000 2.965 103 L HA 0.364 4.704 4.340 -0.000 0.000 0.254 103 L C 1.174 177.867 176.870 -0.295 0.000 1.220 103 L CA -0.565 54.093 54.840 -0.303 0.000 1.023 103 L CB 0.596 42.546 42.059 -0.181 0.000 1.355 103 L HN -0.175 nan 8.230 nan 0.000 0.545 104 G N 0.343 108.911 108.800 -0.386 0.000 2.569 104 G HA2 0.272 4.232 3.960 -0.000 0.000 0.249 104 G HA3 0.272 4.232 3.960 -0.000 0.000 0.249 104 G C 1.207 175.936 174.900 -0.285 0.000 1.216 104 G CA 0.002 44.860 45.100 -0.404 0.000 0.845 104 G HN 0.053 nan 8.290 nan 0.000 0.568 105 V N -1.342 118.350 119.914 -0.370 0.000 2.982 105 V HA -0.023 4.097 4.120 -0.000 0.000 0.265 105 V C 1.444 177.449 176.094 -0.149 0.000 1.122 105 V CA 2.138 64.289 62.300 -0.247 0.000 1.143 105 V CB -0.159 31.477 31.823 -0.311 0.000 0.726 105 V HN 0.425 nan 8.190 nan 0.000 0.507 106 S N -1.626 113.996 115.700 -0.130 0.000 2.900 106 S HA 0.220 4.690 4.470 -0.000 0.000 0.253 106 S C 1.299 175.898 174.600 -0.001 0.000 1.029 106 S CA 0.078 58.237 58.200 -0.068 0.000 1.096 106 S CB -0.438 62.726 63.200 -0.059 0.000 1.067 106 S HN 0.807 nan 8.310 nan 0.000 0.610 107 H N 2.579 121.553 119.070 -0.160 0.000 2.325 107 H HA -0.210 4.346 4.556 -0.000 0.000 0.293 107 H C 2.152 177.416 175.328 -0.108 0.000 1.106 107 H CA 2.098 58.034 56.048 -0.187 0.000 1.247 107 H CB -0.113 29.525 29.762 -0.206 0.000 1.359 107 H HN 0.473 nan 8.280 nan 0.000 0.488 108 A N 1.083 123.844 122.820 -0.099 0.000 1.978 108 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 108 A C 2.236 179.680 177.584 -0.234 0.000 1.170 108 A CA 1.655 53.607 52.037 -0.141 0.000 0.636 108 A CB -0.397 18.574 19.000 -0.049 0.000 0.810 108 A HN 0.549 nan 8.150 nan 0.000 0.448 109 N N -0.962 117.587 118.700 -0.251 0.000 2.166 109 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 109 N C 1.414 176.569 175.510 -0.592 0.000 1.019 109 N CA 1.649 54.478 53.050 -0.369 0.000 0.856 109 N CB -0.620 37.632 38.487 -0.392 0.000 0.993 109 N HN 0.669 nan 8.380 nan 0.000 0.426 110 Y N 0.879 120.730 120.300 -0.748 0.000 2.163 110 Y HA -0.063 4.487 4.550 -0.000 0.000 0.288 110 Y C 2.484 177.836 175.900 -0.913 0.000 1.136 110 Y CA 0.635 58.041 58.100 -1.156 0.000 1.147 110 Y CB -0.735 36.522 38.460 -2.005 0.000 0.987 110 Y HN -0.178 nan 8.280 nan 0.000 0.509 111 V N 0.527 120.150 119.914 -0.484 0.000 2.407 111 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 111 V C 1.805 177.844 176.094 -0.091 0.000 1.055 111 V CA 2.042 64.290 62.300 -0.086 0.000 1.049 111 V CB -0.557 31.228 31.823 -0.063 0.000 0.662 111 V HN 0.473 nan 8.190 nan 0.000 0.455 112 N N 0.394 118.986 118.700 -0.180 0.000 2.300 112 N HA 0.010 4.750 4.740 -0.000 0.000 0.179 112 N C 1.900 177.311 175.510 -0.166 0.000 1.016 112 N CA 1.362 54.330 53.050 -0.138 0.000 0.876 112 N CB -0.343 38.063 38.487 -0.135 0.000 0.979 112 N HN 0.476 nan 8.380 nan 0.000 0.432 113 A N 0.808 123.448 122.820 -0.300 0.000 1.933 113 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 113 A C 2.100 179.555 177.584 -0.214 0.000 1.175 113 A CA 1.770 53.595 52.037 -0.353 0.000 0.628 113 A CB -0.526 18.003 19.000 -0.786 0.000 0.814 113 A HN 0.219 nan 8.150 nan 0.000 0.444 114 V N -3.483 116.347 119.914 -0.141 0.000 3.647 114 V HA 0.185 4.305 4.120 -0.000 0.000 0.279 114 V C 1.516 177.640 176.094 0.050 0.000 1.314 114 V CA 0.919 63.229 62.300 0.018 0.000 1.125 114 V CB -0.405 31.517 31.823 0.164 0.000 0.907 114 V HN 0.409 nan 8.190 nan 0.000 0.434 115 K N 1.822 122.232 120.400 0.016 0.000 2.032 115 K HA -0.032 4.288 4.320 -0.000 0.000 0.209 115 K C 1.145 177.762 176.600 0.028 0.000 1.048 115 K CA 1.914 58.216 56.287 0.025 0.000 0.927 115 K CB -0.170 32.333 32.500 0.004 0.000 0.712 115 K HN 0.793 nan 8.250 nan 0.000 0.441 116 T N -3.524 111.043 114.554 0.021 0.000 2.916 116 T HA 0.267 4.617 4.350 -0.000 0.000 0.292 116 T C -2.496 172.223 174.700 0.031 0.000 1.064 116 T CA -2.124 59.990 62.100 0.024 0.000 1.011 116 T CB 1.983 70.861 68.868 0.015 0.000 1.152 116 T HN -0.283 nan 8.240 nan 0.000 0.510 117 P HA -0.042 nan 4.420 nan 0.000 0.216 117 P C 1.596 178.914 177.300 0.031 0.000 1.150 117 P CA 1.653 64.771 63.100 0.030 0.000 0.837 117 P CB -0.207 31.506 31.700 0.023 0.000 0.786 118 A N -0.042 122.793 122.820 0.025 0.000 1.873 118 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 118 A C 2.403 180.006 177.584 0.031 0.000 1.186 118 A CA 2.324 54.375 52.037 0.023 0.000 0.616 118 A CB -1.635 17.374 19.000 0.015 0.000 0.823 118 A HN 0.323 nan 8.150 nan 0.000 0.442 119 S N -0.116 115.601 115.700 0.028 0.000 2.382 119 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 119 S C 2.011 176.659 174.600 0.080 0.000 1.027 119 S CA 1.194 59.414 58.200 0.033 0.000 0.991 119 S CB -0.480 62.719 63.200 -0.001 0.000 0.823 119 S HN 0.583 nan 8.310 nan 0.000 0.469 120 R N 0.956 121.505 120.500 0.082 0.000 2.075 120 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 120 R C 2.902 179.276 176.300 0.122 0.000 1.126 120 R CA 1.770 57.949 56.100 0.132 0.000 0.963 120 R CB -1.419 28.939 30.300 0.095 0.000 0.858 120 R HN 0.721 nan 8.270 nan 0.000 0.435 121 T N 0.905 115.501 114.554 0.070 0.000 2.777 121 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 121 T C 1.864 176.587 174.700 0.038 0.000 1.040 121 T CA 1.483 63.607 62.100 0.041 0.000 1.141 121 T CB -0.139 68.744 68.868 0.025 0.000 0.868 121 T HN 0.111 nan 8.240 nan 0.000 0.444 122 K N -0.724 119.710 120.400 0.056 0.000 2.057 122 K HA -0.034 4.286 4.320 -0.000 0.000 0.207 122 K C 1.972 178.618 176.600 0.077 0.000 1.049 122 K CA 1.256 57.573 56.287 0.051 0.000 0.931 122 K CB -0.291 32.238 32.500 0.049 0.000 0.714 122 K HN 0.394 nan 8.250 nan 0.000 0.440 123 F N 1.371 121.301 119.950 -0.034 0.000 2.113 123 F HA -0.074 4.453 4.527 -0.000 0.000 0.297 123 F C 2.003 177.790 175.800 -0.023 0.000 1.103 123 F CA 1.408 59.381 58.000 -0.044 0.000 1.248 123 F CB -0.789 38.175 39.000 -0.060 0.000 0.999 123 F HN 0.080 nan 8.300 nan 0.000 0.475 124 A N 0.222 122.920 122.820 -0.204 0.000 1.908 124 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 124 A C 2.142 179.595 177.584 -0.219 0.000 1.181 124 A CA 2.025 53.892 52.037 -0.283 0.000 0.627 124 A CB -0.968 17.977 19.000 -0.092 0.000 0.818 124 A HN 0.645 nan 8.150 nan 0.000 0.445 125 Q N 0.028 119.756 119.800 -0.120 0.000 2.124 125 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 125 Q C 2.452 178.396 176.000 -0.093 0.000 0.977 125 Q CA 1.859 57.613 55.803 -0.082 0.000 0.850 125 Q CB -0.310 28.404 28.738 -0.040 0.000 0.901 125 Q HN 0.874 nan 8.270 nan 0.000 0.429 126 S N -0.151 115.480 115.700 -0.115 0.000 2.383 126 S HA -0.153 4.316 4.470 -0.000 0.000 0.227 126 S C 2.178 176.708 174.600 -0.117 0.000 1.026 126 S CA 0.999 59.146 58.200 -0.088 0.000 0.981 126 S CB -0.699 62.470 63.200 -0.050 0.000 0.818 126 S HN 0.404 nan 8.310 nan 0.000 0.472 127 C N 1.313 120.464 119.300 -0.247 0.000 2.413 127 C HA 0.005 4.465 4.460 -0.000 0.000 0.276 127 C C 2.812 177.819 174.990 0.028 0.000 1.236 127 C CA 0.835 59.778 59.018 -0.125 0.000 1.735 127 C CB -1.408 26.129 27.740 -0.338 0.000 2.031 127 C HN 0.545 nan 8.230 nan 0.000 0.474 128 V N 1.044 120.924 119.914 -0.057 0.000 2.515 128 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 128 V C 2.711 178.783 176.094 -0.036 0.000 1.058 128 V CA 1.800 64.068 62.300 -0.054 0.000 1.064 128 V CB -0.835 30.933 31.823 -0.091 0.000 0.675 128 V HN 0.493 nan 8.190 nan 0.000 0.461 129 R N 0.235 120.718 120.500 -0.028 0.000 2.070 129 R HA -0.130 4.210 4.340 -0.000 0.000 0.233 129 R C 2.299 178.618 176.300 0.032 0.000 1.137 129 R CA 1.730 57.826 56.100 -0.006 0.000 0.945 129 R CB -0.264 30.035 30.300 -0.001 0.000 0.845 129 R HN 0.338 nan 8.270 nan 0.000 0.430 130 I N 1.305 121.892 120.570 0.028 0.000 2.208 130 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 130 I C 2.597 178.746 176.117 0.053 0.000 1.097 130 I CA 1.256 62.582 61.300 0.044 0.000 1.363 130 I CB -0.963 36.904 38.000 -0.222 0.000 1.051 130 I HN 0.373 nan 8.210 nan 0.000 0.413 131 M N 0.476 120.088 119.600 0.019 0.000 2.065 131 M HA -0.250 4.230 4.480 -0.000 0.000 0.259 131 M C 2.138 178.519 176.300 0.134 0.000 1.069 131 M CA 1.891 57.304 55.300 0.188 0.000 1.110 131 M CB -0.131 32.604 32.600 0.225 0.000 1.328 131 M HN -0.006 nan 8.290 nan 0.000 0.405 132 K N 0.009 120.425 120.400 0.027 0.000 2.217 132 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 132 K C 1.493 178.080 176.600 -0.022 0.000 1.051 132 K CA 1.310 57.593 56.287 -0.006 0.000 0.952 132 K CB -0.603 31.874 32.500 -0.038 0.000 0.736 132 K HN 0.435 nan 8.250 nan 0.000 0.453 133 D N -0.366 120.031 120.400 -0.005 0.000 2.097 133 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 133 D C 1.233 177.346 176.300 -0.312 0.000 0.984 133 D CA 1.114 55.040 54.000 -0.123 0.000 0.826 133 D CB 0.068 40.834 40.800 -0.056 0.000 0.973 133 D HN 0.172 nan 8.370 nan 0.000 0.460 134 Y N -0.945 119.286 120.300 -0.115 0.000 2.482 134 Y HA 0.297 4.847 4.550 -0.000 0.000 0.270 134 Y C 1.653 177.294 175.900 -0.432 0.000 1.152 134 Y CA 0.473 58.409 58.100 -0.273 0.000 1.292 134 Y CB 0.728 39.027 38.460 -0.268 0.000 1.070 134 Y HN 0.053 nan 8.280 nan 0.000 0.528 135 G N -0.436 108.262 108.800 -0.170 0.000 2.137 135 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.237 135 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.237 135 G C -0.103 174.747 174.900 -0.083 0.000 1.002 135 G CA -0.446 44.575 45.100 -0.130 0.000 0.702 135 G HN 0.131 nan 8.290 nan 0.000 0.515 136 F N 0.444 120.479 119.950 0.143 0.000 2.403 136 F HA 0.433 4.960 4.527 -0.000 0.000 0.320 136 F C 1.382 177.337 175.800 0.257 0.000 1.176 136 F CA -0.289 57.842 58.000 0.218 0.000 1.206 136 F CB 0.630 39.834 39.000 0.340 0.000 1.235 136 F HN 0.000 nan 8.300 nan 0.000 0.565 137 D N 0.161 120.869 120.400 0.514 0.000 2.398 137 D HA 0.300 4.940 4.640 -0.000 0.000 0.210 137 D C 0.616 177.180 176.300 0.441 0.000 1.094 137 D CA 0.421 54.686 54.000 0.441 0.000 0.839 137 D CB 0.787 41.743 40.800 0.261 0.000 0.963 137 D HN 0.617 nan 8.370 nan 0.000 0.506 138 G N -0.355 108.665 108.800 0.368 0.000 2.328 138 G HA2 0.346 4.306 3.960 -0.000 0.000 0.295 138 G HA3 0.346 4.306 3.960 -0.000 0.000 0.295 138 G C -1.860 173.032 174.900 -0.014 0.000 1.413 138 G CA -0.591 44.635 45.100 0.209 0.000 0.817 138 G HN -0.068 nan 8.290 nan 0.000 0.546 139 V N 0.570 120.382 119.914 -0.169 0.000 2.540 139 V HA 0.637 4.757 4.120 -0.000 0.000 0.302 139 V C -0.968 174.939 176.094 -0.313 0.000 1.035 139 V CA -0.459 61.533 62.300 -0.514 0.000 0.873 139 V CB 1.769 33.363 31.823 -0.382 0.000 0.992 139 V HN 0.871 nan 8.190 nan 0.000 0.428 140 D N 3.955 124.137 120.400 -0.363 0.000 2.502 140 D HA 0.522 5.162 4.640 -0.000 0.000 0.249 140 D C -0.974 175.317 176.300 -0.015 0.000 1.092 140 D CA -0.405 53.537 54.000 -0.096 0.000 0.839 140 D CB 1.277 42.071 40.800 -0.010 0.000 1.264 140 D HN 0.251 nan 8.370 nan 0.000 0.511 141 I N 3.415 124.042 120.570 0.094 0.000 2.330 141 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 141 I C -0.246 176.016 176.117 0.242 0.000 1.001 141 I CA -0.563 60.860 61.300 0.205 0.000 1.193 141 I CB 1.267 39.437 38.000 0.285 0.000 1.345 141 I HN 0.482 nan 8.210 nan 0.000 0.461 142 D N 7.044 127.569 120.400 0.208 0.000 2.683 142 D HA 0.065 4.705 4.640 -0.000 0.000 0.309 142 D C -0.857 175.411 176.300 -0.054 0.000 1.238 142 D CA -0.320 53.728 54.000 0.080 0.000 0.936 142 D CB 0.297 41.146 40.800 0.081 0.000 1.001 142 D HN 0.326 nan 8.370 nan 0.000 0.505 143 W N 2.599 123.764 121.300 -0.224 0.000 2.387 143 W HA 0.369 5.029 4.660 -0.000 0.000 0.310 143 W C -0.706 175.423 176.519 -0.649 0.000 1.181 143 W CA -0.968 56.116 57.345 -0.435 0.000 1.333 143 W CB 0.341 29.631 29.460 -0.283 0.000 1.286 143 W HN 0.198 nan 8.180 nan 0.000 0.455 144 E N 6.456 126.388 120.200 -0.447 0.000 2.267 144 E HA 0.235 4.585 4.350 -0.000 0.000 0.241 144 E C -1.386 174.859 176.600 -0.593 0.000 0.950 144 E CA -0.226 55.428 56.400 -1.243 0.000 0.776 144 E CB 0.736 29.768 29.700 -1.113 0.000 1.207 144 E HN 0.311 nan 8.360 nan 0.000 0.436 145 Y N 0.335 120.480 120.300 -0.258 0.000 2.625 145 Y HA 0.336 4.886 4.550 -0.000 0.000 0.338 145 Y C -2.456 172.881 175.900 -0.939 0.000 1.123 145 Y CA -2.781 55.006 58.100 -0.523 0.000 1.046 145 Y CB 1.564 39.854 38.460 -0.284 0.000 1.299 145 Y HN 0.258 nan 8.280 nan 0.000 0.464 146 P HA 0.124 nan 4.420 nan 0.000 0.276 146 P C -0.945 176.022 177.300 -0.555 0.000 1.230 146 P CA -0.280 61.882 63.100 -1.564 0.000 0.776 146 P CB 0.609 31.181 31.700 -1.880 0.000 0.888 147 Q N 1.638 121.251 119.800 -0.312 0.000 2.256 147 Q HA 0.278 4.618 4.340 -0.000 0.000 0.232 147 Q C 1.466 177.406 176.000 -0.099 0.000 0.965 147 Q CA -0.383 55.357 55.803 -0.105 0.000 0.908 147 Q CB 0.699 29.428 28.738 -0.015 0.000 1.209 147 Q HN 0.452 nan 8.270 nan 0.000 0.489 148 A N 1.189 123.983 122.820 -0.043 0.000 1.948 148 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 148 A C 1.921 179.495 177.584 -0.017 0.000 1.177 148 A CA 2.327 54.349 52.037 -0.024 0.000 0.636 148 A CB -0.686 18.302 19.000 -0.020 0.000 0.815 148 A HN 0.782 nan 8.150 nan 0.000 0.449 149 A N -0.505 122.308 122.820 -0.012 0.000 2.066 149 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 149 A C 1.653 179.244 177.584 0.012 0.000 1.157 149 A CA 1.292 53.333 52.037 0.006 0.000 0.670 149 A CB -0.291 18.718 19.000 0.015 0.000 0.804 149 A HN 0.659 nan 8.150 nan 0.000 0.453 150 E N -0.468 119.723 120.200 -0.015 0.000 2.474 150 E HA 0.108 4.458 4.350 -0.000 0.000 0.195 150 E C 1.370 177.963 176.600 -0.012 0.000 1.039 150 E CA 0.162 56.562 56.400 0.001 0.000 0.881 150 E CB 0.228 29.922 29.700 -0.009 0.000 0.970 150 E HN 0.340 nan 8.360 nan 0.000 0.486 151 V N 1.848 121.747 119.914 -0.026 0.000 2.295 151 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 151 V C 1.630 177.802 176.094 0.130 0.000 1.049 151 V CA 2.042 64.367 62.300 0.042 0.000 1.024 151 V CB -0.344 31.507 31.823 0.045 0.000 0.648 151 V HN 0.222 nan 8.190 nan 0.000 0.447 152 D N 0.718 121.168 120.400 0.084 0.000 2.149 152 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 152 D C 2.166 178.521 176.300 0.093 0.000 0.990 152 D CA 1.660 55.706 54.000 0.076 0.000 0.839 152 D CB -0.560 40.271 40.800 0.052 0.000 0.948 152 D HN 0.489 nan 8.370 nan 0.000 0.460 153 G N -0.234 108.634 108.800 0.114 0.000 2.394 153 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.215 153 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.215 153 G C 1.459 176.472 174.900 0.189 0.000 1.165 153 G CA 0.185 45.361 45.100 0.128 0.000 0.784 153 G HN 0.214 nan 8.290 nan 0.000 0.535 154 F N 1.665 121.643 119.950 0.046 0.000 2.069 154 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 154 F C 2.494 178.319 175.800 0.042 0.000 1.113 154 F CA 1.243 59.277 58.000 0.056 0.000 1.214 154 F CB -0.434 38.529 39.000 -0.061 0.000 0.978 154 F HN 0.099 nan 8.300 nan 0.000 0.474 155 I N 0.297 120.884 120.570 0.029 0.000 2.151 155 I HA -0.380 3.790 4.170 -0.000 0.000 0.243 155 I C 2.685 178.759 176.117 -0.072 0.000 1.080 155 I CA 1.506 62.752 61.300 -0.090 0.000 1.339 155 I CB -1.013 36.991 38.000 0.006 0.000 1.039 155 I HN 0.269 nan 8.210 nan 0.000 0.409 156 A N 0.555 123.374 122.820 -0.001 0.000 1.933 156 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 156 A C 2.527 180.118 177.584 0.010 0.000 1.175 156 A CA 1.911 53.955 52.037 0.010 0.000 0.628 156 A CB -0.835 18.186 19.000 0.036 0.000 0.814 156 A HN 0.464 nan 8.150 nan 0.000 0.444 157 A N -0.172 122.666 122.820 0.030 0.000 1.877 157 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 157 A C 2.172 179.760 177.584 0.007 0.000 1.186 157 A CA 1.509 53.594 52.037 0.080 0.000 0.620 157 A CB -0.640 18.468 19.000 0.180 0.000 0.822 157 A HN 0.475 nan 8.150 nan 0.000 0.443 158 L N -0.878 120.275 121.223 -0.118 0.000 2.046 158 L HA -0.280 4.060 4.340 -0.000 0.000 0.208 158 L C 2.908 179.725 176.870 -0.087 0.000 1.077 158 L CA 1.734 56.482 54.840 -0.154 0.000 0.747 158 L CB -0.663 41.218 42.059 -0.295 0.000 0.896 158 L HN 0.484 nan 8.230 nan 0.000 0.432 159 Q N -0.425 119.333 119.800 -0.070 0.000 2.135 159 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 159 Q C 2.130 178.115 176.000 -0.026 0.000 0.981 159 Q CA 1.750 57.529 55.803 -0.041 0.000 0.856 159 Q CB -0.085 28.637 28.738 -0.027 0.000 0.902 159 Q HN 0.341 nan 8.270 nan 0.000 0.425 160 E N 0.976 121.167 120.200 -0.015 0.000 2.072 160 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 160 E C 1.629 178.214 176.600 -0.025 0.000 0.985 160 E CA 1.047 57.442 56.400 -0.008 0.000 0.801 160 E CB -0.127 29.580 29.700 0.013 0.000 0.750 160 E HN 0.351 nan 8.360 nan 0.000 0.452 161 I N 0.192 120.739 120.570 -0.039 0.000 2.315 161 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 161 I C 2.477 178.568 176.117 -0.043 0.000 1.117 161 I CA 1.000 62.262 61.300 -0.063 0.000 1.404 161 I CB -0.278 37.671 38.000 -0.086 0.000 1.071 161 I HN 0.076 nan 8.210 nan 0.000 0.419 162 R N 1.269 121.748 120.500 -0.036 0.000 2.080 162 R HA -0.157 4.183 4.340 -0.000 0.000 0.236 162 R C 2.168 178.463 176.300 -0.008 0.000 1.137 162 R CA 2.490 58.578 56.100 -0.021 0.000 0.943 162 R CB -1.334 28.949 30.300 -0.028 0.000 0.846 162 R HN 0.196 nan 8.270 nan 0.000 0.431 163 T N 1.581 116.128 114.554 -0.011 0.000 2.665 163 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 163 T C 1.748 176.449 174.700 0.000 0.000 1.035 163 T CA 1.796 63.894 62.100 -0.003 0.000 1.151 163 T CB -0.238 68.627 68.868 -0.005 0.000 0.862 163 T HN 0.173 nan 8.240 nan 0.000 0.438 164 L N 0.179 121.395 121.223 -0.011 0.000 2.093 164 L HA 0.003 4.342 4.340 -0.000 0.000 0.208 164 L C 2.511 179.378 176.870 -0.005 0.000 1.085 164 L CA 0.958 55.789 54.840 -0.015 0.000 0.755 164 L CB -0.612 41.425 42.059 -0.038 0.000 0.904 164 L HN 0.262 nan 8.230 nan 0.000 0.435 165 L N -0.263 120.961 121.223 0.002 0.000 2.027 165 L HA -0.200 4.140 4.340 -0.000 0.000 0.206 165 L C 2.316 179.260 176.870 0.124 0.000 1.074 165 L CA 1.138 56.006 54.840 0.046 0.000 0.745 165 L CB -0.619 41.476 42.059 0.059 0.000 0.898 165 L HN 0.327 nan 8.230 nan 0.000 0.433 166 N N -0.117 118.629 118.700 0.078 0.000 2.205 166 N HA -0.196 4.543 4.740 -0.000 0.000 0.186 166 N C 1.859 177.413 175.510 0.073 0.000 1.015 166 N CA 1.091 54.184 53.050 0.072 0.000 0.862 166 N CB -0.161 38.347 38.487 0.035 0.000 0.986 166 N HN 0.397 nan 8.380 nan 0.000 0.429 167 Q N -0.121 119.713 119.800 0.057 0.000 2.046 167 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 167 Q C 1.920 177.967 176.000 0.079 0.000 0.975 167 Q CA 1.124 56.956 55.803 0.049 0.000 0.836 167 Q CB -0.080 28.674 28.738 0.027 0.000 0.896 167 Q HN 0.258 nan 8.270 nan 0.000 0.428 168 Q N 0.058 119.919 119.800 0.101 0.000 2.084 168 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 168 Q C 1.889 178.089 176.000 0.333 0.000 0.978 168 Q CA 1.897 57.793 55.803 0.155 0.000 0.844 168 Q CB -0.305 28.441 28.738 0.013 0.000 0.898 168 Q HN 0.271 nan 8.270 nan 0.000 0.426 169 T N 0.848 115.621 114.554 0.366 0.000 2.684 169 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 169 T C 1.556 176.297 174.700 0.068 0.000 1.036 169 T CA 1.402 63.602 62.100 0.167 0.000 1.148 169 T CB -0.187 68.724 68.868 0.072 0.000 0.863 169 T HN 0.193 nan 8.240 nan 0.000 0.436 170 I N 1.587 122.197 120.570 0.067 0.000 2.142 170 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 170 I C 2.676 178.819 176.117 0.042 0.000 1.078 170 I CA 1.587 62.908 61.300 0.036 0.000 1.343 170 I CB -1.910 36.108 38.000 0.030 0.000 1.046 170 I HN 0.253 nan 8.210 nan 0.000 0.405 171 T N 0.934 115.525 114.554 0.061 0.000 2.822 171 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 171 T C 1.006 175.744 174.700 0.063 0.000 1.064 171 T CA 1.412 63.545 62.100 0.055 0.000 1.131 171 T CB -0.224 68.677 68.868 0.056 0.000 0.858 171 T HN 0.280 nan 8.240 nan 0.000 0.483 172 D N -0.067 120.389 120.400 0.093 0.000 2.368 172 D HA 0.293 4.933 4.640 -0.000 0.000 0.218 172 D C 1.344 177.655 176.300 0.019 0.000 1.112 172 D CA 0.174 54.223 54.000 0.082 0.000 0.834 172 D CB -0.156 40.753 40.800 0.181 0.000 0.953 172 D HN 0.373 nan 8.370 nan 0.000 0.505 173 G N 1.969 110.771 108.800 0.004 0.000 2.305 173 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.287 173 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.287 173 G C 0.798 175.663 174.900 -0.059 0.000 1.036 173 G CA -0.135 44.952 45.100 -0.022 0.000 0.887 173 G HN 0.210 nan 8.290 nan 0.000 0.505 174 R N -0.650 119.788 120.500 -0.104 0.000 2.721 174 R HA 0.157 4.497 4.340 -0.000 0.000 0.296 174 R C 1.889 178.101 176.300 -0.146 0.000 1.174 174 R CA 0.115 56.105 56.100 -0.184 0.000 1.129 174 R CB 0.157 30.203 30.300 -0.423 0.000 1.316 174 R HN 0.557 nan 8.270 nan 0.000 0.571 175 Q N 0.212 119.961 119.800 -0.085 0.000 2.234 175 Q HA -0.103 4.237 4.340 -0.000 0.000 0.206 175 Q C 1.921 177.885 176.000 -0.061 0.000 0.980 175 Q CA 1.973 57.739 55.803 -0.061 0.000 0.869 175 Q CB -0.117 28.598 28.738 -0.038 0.000 0.912 175 Q HN 0.341 nan 8.270 nan 0.000 0.436 176 A N -0.664 122.116 122.820 -0.066 0.000 2.016 176 A HA 0.103 4.423 4.320 -0.000 0.000 0.217 176 A C 0.791 178.337 177.584 -0.064 0.000 1.162 176 A CA 0.516 52.521 52.037 -0.054 0.000 0.662 176 A CB 0.336 19.307 19.000 -0.048 0.000 0.812 176 A HN 0.281 nan 8.150 nan 0.000 0.450 177 L N 0.338 121.501 121.223 -0.099 0.000 2.475 177 L HA 0.403 4.743 4.340 -0.000 0.000 0.253 177 L C -2.947 173.816 176.870 -0.178 0.000 1.483 177 L CA -1.963 52.811 54.840 -0.109 0.000 0.869 177 L CB 1.483 43.479 42.059 -0.106 0.000 1.086 177 L HN -0.124 nan 8.230 nan 0.000 0.514 178 P HA 0.035 nan 4.420 nan 0.000 0.267 178 P C -1.002 176.229 177.300 -0.115 0.000 1.200 178 P CA 0.259 63.266 63.100 -0.154 0.000 0.772 178 P CB 0.166 31.832 31.700 -0.056 0.000 0.855 179 Y N 1.018 121.337 120.300 0.032 0.000 2.597 179 Y HA 0.099 4.649 4.550 -0.000 0.000 0.336 179 Y C 1.417 177.341 175.900 0.039 0.000 1.216 179 Y CA 0.819 58.948 58.100 0.049 0.000 1.463 179 Y CB 0.079 38.571 38.460 0.052 0.000 1.303 179 Y HN 0.336 nan 8.280 nan 0.000 0.576 180 Q N 1.715 121.648 119.800 0.222 0.000 2.378 180 Q HA 0.692 5.032 4.340 -0.000 0.000 0.276 180 Q C -1.677 174.372 176.000 0.083 0.000 1.083 180 Q CA -1.402 54.480 55.803 0.132 0.000 0.856 180 Q CB 2.731 31.567 28.738 0.163 0.000 1.383 180 Q HN 0.515 nan 8.270 nan 0.000 0.458 181 L N 0.619 121.864 121.223 0.036 0.000 2.438 181 L HA 0.621 4.961 4.340 -0.000 0.000 0.270 181 L C -1.129 175.745 176.870 0.007 0.000 0.972 181 L CA 0.102 54.939 54.840 -0.004 0.000 0.831 181 L CB 2.133 44.175 42.059 -0.028 0.000 1.273 181 L HN 0.842 nan 8.230 nan 0.000 0.405 182 T N 2.709 117.272 114.554 0.016 0.000 2.812 182 T HA 0.828 5.178 4.350 -0.000 0.000 0.294 182 T C -0.454 174.287 174.700 0.069 0.000 1.159 182 T CA -0.553 61.583 62.100 0.059 0.000 1.008 182 T CB 1.521 70.445 68.868 0.093 0.000 1.289 182 T HN 0.908 nan 8.240 nan 0.000 0.514 183 I N -1.869 118.770 120.570 0.115 0.000 2.969 183 I HA 0.887 5.057 4.170 -0.000 0.000 0.307 183 I C -0.820 175.415 176.117 0.198 0.000 1.149 183 I CA -1.861 59.537 61.300 0.163 0.000 1.008 183 I CB 1.919 40.031 38.000 0.186 0.000 1.232 183 I HN 0.950 nan 8.210 nan 0.000 0.435 184 A N 2.879 125.830 122.820 0.218 0.000 2.276 184 A HA 0.786 5.106 4.320 -0.000 0.000 0.300 184 A C 0.171 177.870 177.584 0.192 0.000 1.235 184 A CA -0.048 52.114 52.037 0.209 0.000 0.867 184 A CB 0.204 19.294 19.000 0.150 0.000 1.137 184 A HN 1.091 nan 8.150 nan 0.000 0.527 185 G N 0.697 109.628 108.800 0.218 0.000 2.509 185 G HA2 0.634 4.594 3.960 -0.000 0.000 0.328 185 G HA3 0.634 4.594 3.960 -0.000 0.000 0.328 185 G C 0.240 175.356 174.900 0.359 0.000 1.194 185 G CA -0.081 45.217 45.100 0.331 0.000 0.967 185 G HN 1.348 nan 8.290 nan 0.000 0.488 186 A N -0.901 122.195 122.820 0.459 0.000 2.483 186 A HA 0.530 4.849 4.320 -0.000 0.000 0.238 186 A C 1.259 178.929 177.584 0.143 0.000 1.070 186 A CA 0.538 52.695 52.037 0.200 0.000 0.770 186 A CB 0.464 19.383 19.000 -0.136 0.000 1.008 186 A HN 1.514 nan 8.150 nan 0.000 0.497 187 G N 0.572 109.405 108.800 0.054 0.000 3.519 187 G HA2 0.485 4.445 3.960 -0.000 0.000 0.269 187 G HA3 0.485 4.445 3.960 -0.000 0.000 0.269 187 G C 0.336 175.246 174.900 0.016 0.000 1.028 187 G CA 0.588 45.696 45.100 0.013 0.000 0.809 187 G HN 1.293 nan 8.290 nan 0.000 0.521 188 G N -1.262 107.546 108.800 0.014 0.000 2.682 188 G HA2 0.546 4.506 3.960 -0.000 0.000 0.300 188 G HA3 0.546 4.506 3.960 -0.000 0.000 0.300 188 G C 0.731 175.550 174.900 -0.134 0.000 1.391 188 G CA 0.337 45.423 45.100 -0.022 0.000 0.990 188 G HN 0.353 nan 8.290 nan 0.000 0.501 189 A N 1.237 123.904 122.820 -0.254 0.000 1.986 189 A HA 0.009 4.329 4.320 -0.000 0.000 0.220 189 A C 1.882 179.153 177.584 -0.522 0.000 1.171 189 A CA 1.709 53.461 52.037 -0.476 0.000 0.640 189 A CB -0.578 18.087 19.000 -0.558 0.000 0.811 189 A HN 0.643 nan 8.150 nan 0.000 0.451 190 F N -1.623 118.201 119.950 -0.211 0.000 2.075 190 F HA -0.124 4.403 4.527 -0.000 0.000 0.297 190 F C 2.076 177.658 175.800 -0.363 0.000 1.113 190 F CA 1.376 59.194 58.000 -0.304 0.000 1.218 190 F CB -0.596 38.171 39.000 -0.387 0.000 0.984 190 F HN 0.204 nan 8.300 nan 0.000 0.472 191 F N -0.567 119.285 119.950 -0.163 0.000 2.259 191 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 191 F C 2.097 177.554 175.800 -0.572 0.000 1.088 191 F CA 0.454 58.192 58.000 -0.436 0.000 1.358 191 F CB -0.921 37.597 39.000 -0.802 0.000 1.040 191 F HN -0.098 nan 8.300 nan 0.000 0.505 192 L N 0.349 121.355 121.223 -0.361 0.000 2.131 192 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 192 L C 2.507 178.977 176.870 -0.666 0.000 1.092 192 L CA 1.934 56.406 54.840 -0.614 0.000 0.759 192 L CB -1.169 40.617 42.059 -0.456 0.000 0.903 192 L HN 0.170 nan 8.230 nan 0.000 0.435 193 S N -1.045 114.380 115.700 -0.458 0.000 2.469 193 S HA -0.202 4.268 4.470 -0.000 0.000 0.238 193 S C 2.012 176.455 174.600 -0.262 0.000 0.998 193 S CA 0.833 58.814 58.200 -0.366 0.000 0.957 193 S CB -0.661 62.358 63.200 -0.302 0.000 0.764 193 S HN 0.571 nan 8.310 nan 0.000 0.514 194 R N 0.238 120.585 120.500 -0.254 0.000 2.115 194 R HA -0.038 4.302 4.340 -0.000 0.000 0.230 194 R C 1.480 177.758 176.300 -0.037 0.000 1.111 194 R CA 1.698 57.733 56.100 -0.109 0.000 0.976 194 R CB -0.316 29.975 30.300 -0.016 0.000 0.870 194 R HN 0.905 nan 8.270 nan 0.000 0.445 195 Y N -5.482 114.775 120.300 -0.071 0.000 2.610 195 Y HA 0.227 4.777 4.550 -0.000 0.000 0.254 195 Y C 1.314 177.203 175.900 -0.019 0.000 1.110 195 Y CA -1.290 56.779 58.100 -0.051 0.000 1.238 195 Y CB -0.693 37.731 38.460 -0.059 0.000 1.322 195 Y HN -0.151 nan 8.280 nan 0.000 0.547 196 Y N 2.873 122.941 120.300 -0.387 0.000 2.139 196 Y HA -0.324 4.226 4.550 -0.000 0.000 0.282 196 Y C 2.663 178.466 175.900 -0.161 0.000 1.179 196 Y CA 2.471 60.375 58.100 -0.327 0.000 1.161 196 Y CB -0.495 37.704 38.460 -0.436 0.000 0.970 196 Y HN 0.368 nan 8.280 nan 0.000 0.511 197 S N -0.775 114.812 115.700 -0.189 0.000 2.442 197 S HA -0.157 4.313 4.470 -0.000 0.000 0.236 197 S C 1.347 175.849 174.600 -0.164 0.000 1.007 197 S CA 1.371 59.428 58.200 -0.238 0.000 0.965 197 S CB -0.372 62.737 63.200 -0.151 0.000 0.773 197 S HN 0.560 nan 8.310 nan 0.000 0.504 198 K N 0.431 120.789 120.400 -0.069 0.000 2.593 198 K HA 0.424 4.744 4.320 -0.000 0.000 0.208 198 K C 0.944 177.562 176.600 0.029 0.000 1.051 198 K CA -0.222 56.062 56.287 -0.005 0.000 1.111 198 K CB 0.134 32.661 32.500 0.045 0.000 0.849 198 K HN 0.245 nan 8.250 nan 0.000 0.479 199 L N 0.815 122.021 121.223 -0.028 0.000 2.013 199 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 199 L C 2.426 179.321 176.870 0.043 0.000 1.073 199 L CA 1.746 56.610 54.840 0.040 0.000 0.753 199 L CB -0.423 41.588 42.059 -0.080 0.000 0.890 199 L HN 0.365 nan 8.230 nan 0.000 0.432 200 A N -0.751 122.069 122.820 0.001 0.000 1.940 200 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 200 A C 2.099 179.695 177.584 0.020 0.000 1.176 200 A CA 1.861 53.908 52.037 0.017 0.000 0.631 200 A CB -0.464 18.541 19.000 0.010 0.000 0.814 200 A HN 0.568 nan 8.150 nan 0.000 0.446 201 Q N -0.889 118.922 119.800 0.018 0.000 2.187 201 Q HA 0.069 4.409 4.340 -0.000 0.000 0.199 201 Q C 1.950 177.952 176.000 0.003 0.000 0.957 201 Q CA 1.025 56.835 55.803 0.012 0.000 0.857 201 Q CB -0.155 28.593 28.738 0.017 0.000 0.929 201 Q HN 0.737 nan 8.270 nan 0.000 0.453 202 I N -0.195 120.391 120.570 0.026 0.000 2.286 202 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 202 I C 1.898 178.011 176.117 -0.006 0.000 1.104 202 I CA 0.787 62.089 61.300 0.005 0.000 1.397 202 I CB 0.065 38.111 38.000 0.076 0.000 1.072 202 I HN 0.027 nan 8.210 nan 0.000 0.417 203 V N 0.852 120.788 119.914 0.037 0.000 2.871 203 V HA -0.101 4.019 4.120 -0.000 0.000 0.256 203 V C 2.613 178.710 176.094 0.006 0.000 1.082 203 V CA 1.257 63.581 62.300 0.040 0.000 1.105 203 V CB -0.591 31.281 31.823 0.082 0.000 0.713 203 V HN 0.414 nan 8.190 nan 0.000 0.473 204 A N 1.696 124.514 122.820 -0.003 0.000 1.873 204 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 204 A C 0.704 178.271 177.584 -0.029 0.000 1.193 204 A CA 2.309 54.338 52.037 -0.013 0.000 0.629 204 A CB -1.834 17.159 19.000 -0.011 0.000 0.826 204 A HN 0.592 nan 8.150 nan 0.000 0.447 205 P HA 0.163 nan 4.420 nan 0.000 0.245 205 P C -0.047 177.221 177.300 -0.053 0.000 1.212 205 P CA 0.353 63.424 63.100 -0.049 0.000 0.774 205 P CB -0.093 31.570 31.700 -0.062 0.000 0.999 206 L N -0.217 120.976 121.223 -0.051 0.000 2.360 206 L HA 0.332 4.671 4.340 -0.000 0.000 0.271 206 L C 1.415 178.224 176.870 -0.101 0.000 1.057 206 L CA -0.648 54.161 54.840 -0.052 0.000 0.803 206 L CB 0.875 42.924 42.059 -0.017 0.000 1.207 206 L HN -0.280 nan 8.230 nan 0.000 0.445 207 D N -0.072 120.237 120.400 -0.152 0.000 2.240 207 D HA 0.037 4.677 4.640 -0.000 0.000 0.206 207 D C -0.647 175.263 176.300 -0.651 0.000 0.963 207 D CA 1.494 55.258 54.000 -0.392 0.000 0.863 207 D CB 0.544 41.130 40.800 -0.357 0.000 0.973 207 D HN 0.283 nan 8.370 nan 0.000 0.501 208 Y N -0.671 119.624 120.300 -0.008 0.000 2.552 208 Y HA 0.394 4.944 4.550 -0.000 0.000 0.337 208 Y C -0.757 175.147 175.900 0.006 0.000 1.094 208 Y CA -0.949 57.143 58.100 -0.014 0.000 1.028 208 Y CB 1.871 40.294 38.460 -0.061 0.000 1.321 208 Y HN -0.293 nan 8.280 nan 0.000 0.456 209 I N 3.212 123.904 120.570 0.203 0.000 2.355 209 I HA 0.459 4.629 4.170 -0.000 0.000 0.288 209 I C -1.205 174.983 176.117 0.119 0.000 0.999 209 I CA -0.627 60.764 61.300 0.151 0.000 1.163 209 I CB 0.580 38.670 38.000 0.150 0.000 1.316 209 I HN 0.577 nan 8.210 nan 0.000 0.454 210 N N 8.900 127.677 118.700 0.128 0.000 2.469 210 N HA 0.303 5.043 4.740 -0.000 0.000 0.239 210 N C -0.711 174.862 175.510 0.105 0.000 1.053 210 N CA -0.215 52.904 53.050 0.114 0.000 0.937 210 N CB 1.245 39.839 38.487 0.177 0.000 1.163 210 N HN 0.570 nan 8.380 nan 0.000 0.509 211 L N 2.102 123.345 121.223 0.034 0.000 2.410 211 L HA 0.209 4.549 4.340 -0.000 0.000 0.273 211 L C 1.117 177.953 176.870 -0.057 0.000 1.144 211 L CA 0.097 54.928 54.840 -0.016 0.000 0.863 211 L CB 0.279 42.277 42.059 -0.102 0.000 1.140 211 L HN 0.332 nan 8.230 nan 0.000 0.463 212 M N 3.524 123.036 119.600 -0.147 0.000 3.436 212 M HA 0.061 4.540 4.480 -0.000 0.000 0.240 212 M C 0.352 176.248 176.300 -0.672 0.000 1.469 212 M CA -0.148 54.795 55.300 -0.594 0.000 1.622 212 M CB -0.463 31.857 32.600 -0.466 0.000 1.098 212 M HN 0.552 nan 8.290 nan 0.000 0.568 213 T N -0.021 114.295 114.554 -0.396 0.000 4.309 213 T HA 0.291 4.641 4.350 -0.000 0.000 0.242 213 T C -0.535 174.157 174.700 -0.014 0.000 1.142 213 T CA -0.256 61.756 62.100 -0.147 0.000 1.042 213 T CB -1.124 67.735 68.868 -0.016 0.000 1.366 213 T HN 0.517 nan 8.240 nan 0.000 0.942 214 Y N -2.863 117.533 120.300 0.159 0.000 2.764 214 Y HA 0.575 5.124 4.550 -0.000 0.000 0.331 214 Y C -0.251 175.786 175.900 0.228 0.000 1.280 214 Y CA -1.925 56.285 58.100 0.184 0.000 1.065 214 Y CB 0.026 38.614 38.460 0.212 0.000 1.319 214 Y HN 0.107 nan 8.280 nan 0.000 0.453 215 D N 0.060 120.789 120.400 0.548 0.000 2.945 215 D HA -0.163 4.477 4.640 -0.000 0.000 0.225 215 D C 0.367 176.950 176.300 0.472 0.000 1.158 215 D CA 1.148 55.473 54.000 0.542 0.000 0.805 215 D CB -1.008 40.074 40.800 0.471 0.000 1.098 215 D HN 0.721 nan 8.370 nan 0.000 0.426 216 L N -1.465 119.949 121.223 0.320 0.000 2.599 216 L HA 0.338 4.677 4.340 -0.000 0.000 0.230 216 L C 1.085 178.075 176.870 0.200 0.000 1.141 216 L CA 0.624 55.587 54.840 0.204 0.000 0.877 216 L CB -0.050 42.066 42.059 0.094 0.000 1.009 216 L HN 0.209 nan 8.230 nan 0.000 0.447 217 A N -0.632 122.336 122.820 0.246 0.000 2.594 217 A HA 0.831 5.150 4.320 -0.000 0.000 0.295 217 A C -0.492 176.947 177.584 -0.242 0.000 1.071 217 A CA 0.056 52.141 52.037 0.080 0.000 0.685 217 A CB 1.660 20.746 19.000 0.144 0.000 1.285 217 A HN 0.078 nan 8.150 nan 0.000 0.405 218 G N -0.109 108.283 108.800 -0.680 0.000 2.338 218 G HA2 0.542 4.502 3.960 -0.000 0.000 0.295 218 G HA3 0.542 4.502 3.960 -0.000 0.000 0.295 218 G C -2.685 171.572 174.900 -1.072 0.000 1.461 218 G CA 0.039 44.352 45.100 -1.312 0.000 0.817 218 G HN 0.468 nan 8.290 nan 0.000 0.556 219 P HA -0.119 nan 4.420 nan 0.000 0.223 219 P C 1.264 178.616 177.300 0.087 0.000 1.140 219 P CA 1.718 64.602 63.100 -0.360 0.000 0.783 219 P CB -0.111 31.439 31.700 -0.249 0.000 0.759 220 W N -0.310 121.077 121.300 0.146 0.000 2.800 220 W HA 0.252 4.912 4.660 -0.000 0.000 0.249 220 W C 0.347 176.968 176.519 0.169 0.000 1.294 220 W CA -0.235 57.190 57.345 0.133 0.000 1.402 220 W CB -0.810 28.691 29.460 0.067 0.000 1.126 220 W HN -0.235 nan 8.180 nan 0.000 0.652 221 E N 1.403 121.581 120.200 -0.038 0.000 2.250 221 E HA 0.093 4.442 4.350 -0.000 0.000 0.269 221 E C 1.052 177.781 176.600 0.215 0.000 1.018 221 E CA -0.506 55.959 56.400 0.109 0.000 0.873 221 E CB 1.520 31.245 29.700 0.043 0.000 1.134 221 E HN -0.203 nan 8.360 nan 0.000 0.403 222 K N 0.560 121.039 120.400 0.132 0.000 2.026 222 K HA -0.030 4.290 4.320 -0.000 0.000 0.208 222 K C 0.896 177.567 176.600 0.119 0.000 1.048 222 K CA 0.935 57.270 56.287 0.080 0.000 0.929 222 K CB -0.044 32.455 32.500 -0.002 0.000 0.713 222 K HN 0.448 nan 8.250 nan 0.000 0.439 223 V N -0.034 119.910 119.914 0.051 0.000 2.667 223 V HA 0.384 4.504 4.120 -0.000 0.000 0.308 223 V C 0.085 176.063 176.094 -0.193 0.000 1.048 223 V CA -0.896 61.390 62.300 -0.023 0.000 0.928 223 V CB 1.203 32.977 31.823 -0.080 0.000 1.004 223 V HN 0.338 nan 8.190 nan 0.000 0.444 224 T N 1.769 116.031 114.554 -0.487 0.000 2.903 224 T HA 0.405 4.755 4.350 -0.000 0.000 0.314 224 T C -0.094 174.178 174.700 -0.713 0.000 1.078 224 T CA 0.156 61.574 62.100 -1.137 0.000 1.114 224 T CB 0.516 68.475 68.868 -1.515 0.000 0.987 224 T HN 1.297 nan 8.240 nan 0.000 0.548 225 N N -0.918 117.411 118.700 -0.619 0.000 3.185 225 N HA 0.156 4.896 4.740 -0.000 0.000 0.238 225 N C -1.776 173.688 175.510 -0.076 0.000 1.451 225 N CA -0.705 52.222 53.050 -0.206 0.000 0.888 225 N CB 0.957 39.477 38.487 0.056 0.000 1.413 225 N HN 0.724 nan 8.380 nan 0.000 0.511 226 H N 1.284 120.436 119.070 0.135 0.000 2.803 226 H HA 0.076 4.632 4.556 -0.000 0.000 0.330 226 H C 0.434 175.844 175.328 0.137 0.000 1.057 226 H CA 0.360 56.491 56.048 0.139 0.000 1.458 226 H CB 1.226 31.026 29.762 0.064 0.000 1.470 226 H HN 0.578 nan 8.280 nan 0.000 0.560 227 Q N 2.012 121.960 119.800 0.247 0.000 2.432 227 Q HA 0.185 4.525 4.340 -0.000 0.000 0.205 227 Q C 0.351 176.478 176.000 0.212 0.000 0.945 227 Q CA 0.789 56.732 55.803 0.233 0.000 0.924 227 Q CB 0.730 29.620 28.738 0.253 0.000 1.016 227 Q HN 0.513 nan 8.270 nan 0.000 0.503 228 A N 0.405 123.331 122.820 0.177 0.000 3.106 228 A HA 0.668 4.988 4.320 -0.000 0.000 0.227 228 A C -0.091 177.519 177.584 0.044 0.000 0.920 228 A CA -0.226 51.890 52.037 0.131 0.000 1.088 228 A CB 0.148 19.254 19.000 0.177 0.000 1.233 228 A HN 0.370 nan 8.150 nan 0.000 0.503 229 A N 0.056 122.894 122.820 0.031 0.000 2.540 229 A HA 0.398 4.718 4.320 -0.000 0.000 0.239 229 A C 1.201 178.695 177.584 -0.149 0.000 1.061 229 A CA 0.243 52.230 52.037 -0.084 0.000 0.758 229 A CB 0.081 19.055 19.000 -0.043 0.000 0.991 229 A HN 1.358 nan 8.150 nan 0.000 0.502 230 L N 2.926 123.987 121.223 -0.270 0.000 2.023 230 L HA 0.235 4.575 4.340 -0.000 0.000 0.205 230 L C 0.119 176.600 176.870 -0.648 0.000 1.073 230 L CA 1.779 56.301 54.840 -0.529 0.000 0.745 230 L CB -0.511 41.146 42.059 -0.670 0.000 0.900 230 L HN 0.598 nan 8.230 nan 0.000 0.435 231 F N -1.143 118.746 119.950 -0.102 0.000 2.618 231 F HA 0.652 5.179 4.527 -0.000 0.000 0.332 231 F C 0.931 176.703 175.800 -0.047 0.000 1.061 231 F CA -0.968 57.002 58.000 -0.050 0.000 0.974 231 F CB 0.489 39.467 39.000 -0.036 0.000 1.310 231 F HN -0.101 nan 8.300 nan 0.000 0.491 232 G N -0.178 108.754 108.800 0.219 0.000 2.476 232 G HA2 0.401 4.361 3.960 -0.000 0.000 0.269 232 G HA3 0.401 4.361 3.960 -0.000 0.000 0.269 232 G C -1.630 173.298 174.900 0.047 0.000 1.195 232 G CA -0.187 44.973 45.100 0.099 0.000 0.843 232 G HN 0.508 nan 8.290 nan 0.000 0.545 233 D N 0.594 120.995 120.400 0.003 0.000 2.408 233 D HA 0.460 5.099 4.640 -0.000 0.000 0.243 233 D C 1.093 177.342 176.300 -0.085 0.000 1.075 233 D CA -0.196 53.791 54.000 -0.022 0.000 0.832 233 D CB 1.651 42.467 40.800 0.026 0.000 1.162 233 D HN 0.300 nan 8.370 nan 0.000 0.515 234 A N 3.489 126.269 122.820 -0.067 0.000 2.076 234 A HA -0.015 4.305 4.320 -0.000 0.000 0.220 234 A C 1.899 179.394 177.584 -0.148 0.000 1.160 234 A CA 1.801 53.785 52.037 -0.088 0.000 0.653 234 A CB -0.355 18.612 19.000 -0.055 0.000 0.801 234 A HN 0.614 nan 8.150 nan 0.000 0.455 235 A N -0.547 122.174 122.820 -0.165 0.000 2.119 235 A HA 0.426 4.746 4.320 -0.000 0.000 0.216 235 A C 1.478 178.696 177.584 -0.610 0.000 1.152 235 A CA 0.916 52.818 52.037 -0.225 0.000 0.708 235 A CB -0.732 18.241 19.000 -0.044 0.000 0.805 235 A HN 0.675 nan 8.150 nan 0.000 0.460 236 G N 0.051 108.335 108.800 -0.860 0.000 2.557 236 G HA2 0.484 4.444 3.960 -0.000 0.000 0.292 236 G HA3 0.484 4.444 3.960 -0.000 0.000 0.292 236 G C -2.374 172.144 174.900 -0.636 0.000 1.237 236 G CA -1.240 43.036 45.100 -1.374 0.000 0.978 236 G HN 0.201 nan 8.290 nan 0.000 0.498 237 P HA 0.252 nan 4.420 nan 0.000 0.274 237 P C -0.179 176.918 177.300 -0.339 0.000 1.237 237 P CA 0.007 62.874 63.100 -0.388 0.000 0.793 237 P CB 1.197 32.662 31.700 -0.392 0.000 0.977 238 T N -1.763 112.540 114.554 -0.419 0.000 2.907 238 T HA 0.760 5.110 4.350 -0.000 0.000 0.290 238 T C -0.721 173.700 174.700 -0.465 0.000 1.066 238 T CA -0.535 61.408 62.100 -0.263 0.000 1.012 238 T CB 0.972 69.765 68.868 -0.126 0.000 1.184 238 T HN 0.199 nan 8.240 nan 0.000 0.522 239 F N -0.592 119.290 119.950 -0.114 0.000 2.620 239 F HA 0.523 5.050 4.527 -0.000 0.000 0.320 239 F C -0.500 175.460 175.800 0.267 0.000 1.069 239 F CA -1.592 56.462 58.000 0.090 0.000 0.953 239 F CB 1.267 40.344 39.000 0.127 0.000 1.322 239 F HN 0.747 nan 8.300 nan 0.000 0.479 240 Y N 2.185 122.779 120.300 0.491 0.000 2.526 240 Y HA 0.124 4.674 4.550 -0.000 0.000 0.330 240 Y C 0.464 176.565 175.900 0.336 0.000 1.156 240 Y CA -0.226 58.093 58.100 0.365 0.000 1.419 240 Y CB 0.266 38.926 38.460 0.333 0.000 1.250 240 Y HN 0.465 nan 8.280 nan 0.000 0.540 241 N N 5.365 124.003 118.700 -0.102 0.000 2.508 241 N HA 0.104 4.844 4.740 -0.000 0.000 0.253 241 N C 0.540 175.860 175.510 -0.316 0.000 1.145 241 N CA 0.604 53.504 53.050 -0.250 0.000 0.973 241 N CB 0.744 38.978 38.487 -0.422 0.000 1.305 241 N HN 0.905 nan 8.380 nan 0.000 0.506 242 A N 4.246 126.954 122.820 -0.186 0.000 2.076 242 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 242 A C 2.093 179.452 177.584 -0.374 0.000 1.160 242 A CA 0.888 52.871 52.037 -0.090 0.000 0.653 242 A CB -0.275 18.618 19.000 -0.180 0.000 0.801 242 A HN 0.730 nan 8.150 nan 0.000 0.455 243 L N -0.299 120.495 121.223 -0.714 0.000 2.191 243 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 243 L C 2.662 178.788 176.870 -1.239 0.000 1.103 243 L CA 1.490 55.651 54.840 -1.131 0.000 0.769 243 L CB -0.578 40.472 42.059 -1.681 0.000 0.908 243 L HN 0.609 nan 8.230 nan 0.000 0.438 244 R N -0.074 119.908 120.500 -0.864 0.000 2.293 244 R HA -0.109 4.231 4.340 -0.000 0.000 0.219 244 R C 0.950 177.111 176.300 -0.231 0.000 1.091 244 R CA 0.914 56.760 56.100 -0.423 0.000 1.004 244 R CB -0.199 30.001 30.300 -0.165 0.000 0.865 244 R HN 0.292 nan 8.270 nan 0.000 0.469 245 E N 0.844 120.910 120.200 -0.224 0.000 2.465 245 E HA 0.222 4.572 4.350 -0.000 0.000 0.195 245 E C -0.072 176.434 176.600 -0.156 0.000 1.028 245 E CA 0.138 56.475 56.400 -0.104 0.000 0.899 245 E CB 1.076 30.772 29.700 -0.006 0.000 1.032 245 E HN 0.425 nan 8.360 nan 0.000 0.468 246 A N 1.651 124.312 122.820 -0.265 0.000 2.371 246 A HA 0.130 4.450 4.320 -0.000 0.000 0.257 246 A C 0.535 178.006 177.584 -0.188 0.000 1.089 246 A CA -0.390 51.508 52.037 -0.231 0.000 0.794 246 A CB 0.073 18.913 19.000 -0.268 0.000 1.029 246 A HN 0.004 nan 8.150 nan 0.000 0.488 247 N N 1.829 120.445 118.700 -0.140 0.000 2.892 247 N HA 0.149 4.889 4.740 -0.000 0.000 0.300 247 N C 0.333 175.747 175.510 -0.160 0.000 1.211 247 N CA 0.237 53.221 53.050 -0.110 0.000 1.158 247 N CB -0.630 37.817 38.487 -0.066 0.000 1.455 247 N HN 0.613 nan 8.380 nan 0.000 0.524 248 L N 0.261 121.328 121.223 -0.260 0.000 2.408 248 L HA 0.296 4.635 4.340 -0.000 0.000 0.215 248 L C 1.575 178.310 176.870 -0.226 0.000 1.081 248 L CA 0.396 54.963 54.840 -0.455 0.000 0.840 248 L CB -0.073 41.321 42.059 -1.109 0.000 1.002 248 L HN 0.555 nan 8.230 nan 0.000 0.468 249 G N -1.079 107.689 108.800 -0.053 0.000 2.143 249 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.248 249 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.248 249 G C -0.245 174.845 174.900 0.317 0.000 0.991 249 G CA -0.329 44.843 45.100 0.121 0.000 0.689 249 G HN 0.095 nan 8.290 nan 0.000 0.522 250 W N 1.329 122.677 121.300 0.080 0.000 2.283 250 W HA 0.705 5.365 4.660 -0.000 0.000 0.341 250 W C 1.194 177.772 176.519 0.097 0.000 1.206 250 W CA -0.874 56.519 57.345 0.079 0.000 1.294 250 W CB 0.544 30.049 29.460 0.075 0.000 1.154 250 W HN 0.535 nan 8.180 nan 0.000 0.613 251 S N 0.297 116.195 115.700 0.329 0.000 2.624 251 S HA 0.013 4.483 4.470 -0.000 0.000 0.263 251 S C 0.654 175.437 174.600 0.304 0.000 1.287 251 S CA -0.399 57.969 58.200 0.281 0.000 0.990 251 S CB 0.746 64.088 63.200 0.236 0.000 0.950 251 S HN 0.595 nan 8.310 nan 0.000 0.561 252 W N 1.262 122.651 121.300 0.149 0.000 2.335 252 W HA -0.121 4.539 4.660 -0.000 0.000 0.311 252 W C 2.279 178.868 176.519 0.116 0.000 1.213 252 W CA 1.961 59.384 57.345 0.130 0.000 1.274 252 W CB -0.406 29.117 29.460 0.104 0.000 1.148 252 W HN 0.938 nan 8.180 nan 0.000 0.498 253 E N 0.497 120.963 120.200 0.444 0.000 2.085 253 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 253 E C 1.919 178.512 176.600 -0.012 0.000 0.994 253 E CA 2.260 58.815 56.400 0.258 0.000 0.801 253 E CB -0.356 29.518 29.700 0.290 0.000 0.743 253 E HN 0.468 nan 8.360 nan 0.000 0.453 254 E N -0.266 119.940 120.200 0.011 0.000 2.072 254 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 254 E C 2.267 178.850 176.600 -0.028 0.000 0.985 254 E CA 1.003 57.346 56.400 -0.094 0.000 0.801 254 E CB -0.153 29.456 29.700 -0.152 0.000 0.750 254 E HN 0.260 nan 8.360 nan 0.000 0.452 255 L N 0.766 122.056 121.223 0.113 0.000 2.017 255 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 255 L C 2.593 179.402 176.870 -0.102 0.000 1.073 255 L CA 1.361 56.307 54.840 0.177 0.000 0.745 255 L CB -0.630 41.512 42.059 0.139 0.000 0.894 255 L HN 0.176 nan 8.230 nan 0.000 0.432 256 T N -0.383 113.929 114.554 -0.404 0.000 2.788 256 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 256 T C 1.837 176.344 174.700 -0.322 0.000 1.044 256 T CA 1.694 63.490 62.100 -0.506 0.000 1.139 256 T CB -0.242 68.037 68.868 -0.982 0.000 0.867 256 T HN 0.456 nan 8.240 nan 0.000 0.454 257 R N 1.285 121.615 120.500 -0.282 0.000 2.153 257 R HA 0.329 4.669 4.340 -0.000 0.000 0.218 257 R C 2.407 178.525 176.300 -0.305 0.000 1.072 257 R CA 1.058 57.012 56.100 -0.243 0.000 0.990 257 R CB -0.342 29.840 30.300 -0.195 0.000 0.889 257 R HN 0.295 nan 8.270 nan 0.000 0.452 258 A N 0.742 123.305 122.820 -0.429 0.000 2.021 258 A HA 0.175 4.495 4.320 -0.000 0.000 0.216 258 A C 0.110 177.237 177.584 -0.761 0.000 1.163 258 A CA 0.256 51.890 52.037 -0.672 0.000 0.676 258 A CB 0.099 18.528 19.000 -0.952 0.000 0.818 258 A HN 0.312 nan 8.150 nan 0.000 0.453 259 F N 0.945 120.846 119.950 -0.083 0.000 2.531 259 F HA 0.326 4.853 4.527 -0.000 0.000 0.333 259 F C -2.591 173.053 175.800 -0.260 0.000 1.292 259 F CA -3.603 54.297 58.000 -0.167 0.000 1.184 259 F CB 0.642 39.517 39.000 -0.208 0.000 1.426 259 F HN -0.023 nan 8.300 nan 0.000 0.559 260 P HA 0.115 nan 4.420 nan 0.000 0.268 260 P C -0.210 177.035 177.300 -0.091 0.000 1.205 260 P CA 0.231 63.232 63.100 -0.165 0.000 0.771 260 P CB 1.976 33.545 31.700 -0.217 0.000 0.858 261 S N 2.276 117.934 115.700 -0.070 0.000 2.548 261 S HA 0.593 5.063 4.470 -0.000 0.000 0.276 261 S C -2.580 172.015 174.600 -0.008 0.000 1.129 261 S CA -1.209 56.970 58.200 -0.035 0.000 0.931 261 S CB 0.766 63.823 63.200 -0.239 0.000 1.068 261 S HN 0.335 nan 8.310 nan 0.000 0.480 262 P HA 0.529 nan 4.420 nan 0.000 0.274 262 P C -0.969 176.487 177.300 0.260 0.000 1.256 262 P CA -0.291 62.900 63.100 0.152 0.000 0.795 262 P CB 0.254 32.010 31.700 0.093 0.000 1.038 263 F N -2.627 117.370 119.950 0.078 0.000 2.692 263 F HA 0.596 5.123 4.527 -0.000 0.000 0.320 263 F C -0.908 175.003 175.800 0.185 0.000 1.123 263 F CA -1.423 56.641 58.000 0.106 0.000 0.961 263 F CB 0.546 39.633 39.000 0.146 0.000 1.383 263 F HN 0.106 nan 8.300 nan 0.000 0.483 264 S N 1.926 117.592 115.700 -0.057 0.000 2.465 264 S HA 0.405 4.875 4.470 -0.000 0.000 0.279 264 S C -0.546 173.874 174.600 -0.300 0.000 1.201 264 S CA -0.410 57.714 58.200 -0.127 0.000 1.053 264 S CB 0.673 63.899 63.200 0.043 0.000 0.953 264 S HN 0.642 nan 8.310 nan 0.000 0.488 265 L N 6.168 127.160 121.223 -0.385 0.000 2.462 265 L HA 0.294 4.634 4.340 -0.000 0.000 0.283 265 L C 0.543 177.361 176.870 -0.087 0.000 1.166 265 L CA 0.557 55.178 54.840 -0.364 0.000 0.964 265 L CB -0.846 40.874 42.059 -0.564 0.000 1.294 265 L HN 0.790 nan 8.230 nan 0.000 0.449 266 T N -0.212 114.345 114.554 0.006 0.000 2.864 266 T HA 0.422 4.772 4.350 -0.000 0.000 0.289 266 T C 1.071 175.765 174.700 -0.011 0.000 1.082 266 T CA -0.482 61.623 62.100 0.009 0.000 1.009 266 T CB 1.071 69.961 68.868 0.035 0.000 1.234 266 T HN -0.044 nan 8.240 nan 0.000 0.526 267 V N 0.841 120.707 119.914 -0.080 0.000 2.358 267 V HA -0.090 4.030 4.120 -0.000 0.000 0.246 267 V C 2.523 178.532 176.094 -0.142 0.000 1.047 267 V CA 2.492 64.725 62.300 -0.111 0.000 1.035 267 V CB -1.044 30.677 31.823 -0.170 0.000 0.658 267 V HN 1.103 nan 8.190 nan 0.000 0.452 268 D N 0.476 120.738 120.400 -0.230 0.000 2.144 268 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 268 D C 2.061 178.431 176.300 0.117 0.000 0.984 268 D CA 1.472 55.417 54.000 -0.093 0.000 0.834 268 D CB -0.115 40.700 40.800 0.025 0.000 0.955 268 D HN 0.373 nan 8.370 nan 0.000 0.465 269 A N 0.550 123.430 122.820 0.099 0.000 1.877 269 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 269 A C 2.440 179.921 177.584 -0.172 0.000 1.186 269 A CA 2.140 54.155 52.037 -0.038 0.000 0.620 269 A CB -1.212 17.916 19.000 0.214 0.000 0.822 269 A HN 0.357 nan 8.150 nan 0.000 0.443 270 A N -0.636 122.172 122.820 -0.020 0.000 1.902 270 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 270 A C 2.248 179.936 177.584 0.173 0.000 1.181 270 A CA 1.850 53.919 52.037 0.052 0.000 0.623 270 A CB -0.930 18.103 19.000 0.054 0.000 0.818 270 A HN 0.388 nan 8.150 nan 0.000 0.443 271 V N -0.007 119.982 119.914 0.126 0.000 2.307 271 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 271 V C 2.713 178.941 176.094 0.223 0.000 1.045 271 V CA 1.974 64.385 62.300 0.186 0.000 1.024 271 V CB -0.736 31.260 31.823 0.288 0.000 0.651 271 V HN 0.534 nan 8.190 nan 0.000 0.449 272 Q N -0.198 119.713 119.800 0.184 0.000 2.170 272 Q HA -0.229 4.111 4.340 -0.000 0.000 0.203 272 Q C 2.224 178.289 176.000 0.109 0.000 0.976 272 Q CA 1.530 57.436 55.803 0.173 0.000 0.858 272 Q CB -0.417 28.467 28.738 0.243 0.000 0.907 272 Q HN 0.702 nan 8.270 nan 0.000 0.433 273 Q N -0.706 119.074 119.800 -0.034 0.000 2.170 273 Q HA -0.167 4.173 4.340 -0.000 0.000 0.203 273 Q C 1.648 177.768 176.000 0.199 0.000 0.976 273 Q CA 1.189 56.979 55.803 -0.022 0.000 0.858 273 Q CB -0.065 28.505 28.738 -0.279 0.000 0.907 273 Q HN 0.551 nan 8.270 nan 0.000 0.433 274 H N -0.413 118.756 119.070 0.166 0.000 2.415 274 H HA 0.030 4.586 4.556 -0.000 0.000 0.297 274 H C 1.718 177.137 175.328 0.153 0.000 1.048 274 H CA 0.870 57.034 56.048 0.194 0.000 1.365 274 H CB 0.110 29.964 29.762 0.154 0.000 1.421 274 H HN 0.096 nan 8.280 nan 0.000 0.533 275 L N -0.198 121.179 121.223 0.256 0.000 2.275 275 L HA -0.129 4.211 4.340 -0.000 0.000 0.215 275 L C 1.888 178.844 176.870 0.142 0.000 1.119 275 L CA 0.812 55.756 54.840 0.173 0.000 0.790 275 L CB -0.273 41.876 42.059 0.150 0.000 0.919 275 L HN 0.366 nan 8.230 nan 0.000 0.443 276 M N -1.249 118.453 119.600 0.171 0.000 2.460 276 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 276 M C 0.397 176.790 176.300 0.155 0.000 1.071 276 M CA 0.880 56.272 55.300 0.154 0.000 1.096 276 M CB 0.036 32.761 32.600 0.208 0.000 1.408 276 M HN 0.144 nan 8.290 nan 0.000 0.463 277 M N 0.606 120.291 119.600 0.142 0.000 2.233 277 M HA 0.205 4.685 4.480 -0.000 0.000 0.355 277 M C -0.069 176.269 176.300 0.063 0.000 1.191 277 M CA -0.357 54.995 55.300 0.088 0.000 1.101 277 M CB 0.884 33.452 32.600 -0.054 0.000 1.592 277 M HN -0.128 nan 8.290 nan 0.000 0.461 278 E N 0.943 121.177 120.200 0.056 0.000 2.373 278 E HA 0.408 4.758 4.350 -0.000 0.000 0.267 278 E C 0.951 177.572 176.600 0.036 0.000 1.032 278 E CA 1.331 57.755 56.400 0.040 0.000 0.889 278 E CB 0.444 30.163 29.700 0.031 0.000 0.984 278 E HN 0.832 nan 8.360 nan 0.000 0.425 279 G N 2.433 111.254 108.800 0.035 0.000 2.136 279 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.242 279 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.242 279 G C -0.333 174.592 174.900 0.041 0.000 0.989 279 G CA 0.147 45.266 45.100 0.032 0.000 0.682 279 G HN 0.494 nan 8.290 nan 0.000 0.522 280 V N 2.796 122.744 119.914 0.056 0.000 2.305 280 V HA 0.412 4.532 4.120 -0.000 0.000 0.275 280 V C -1.515 174.628 176.094 0.081 0.000 1.020 280 V CA -1.361 60.989 62.300 0.082 0.000 0.811 280 V CB 1.646 33.541 31.823 0.120 0.000 1.031 280 V HN 0.290 nan 8.190 nan 0.000 0.439 281 P HA 0.144 nan 4.420 nan 0.000 0.271 281 P C 1.081 178.422 177.300 0.069 0.000 1.216 281 P CA 0.006 63.139 63.100 0.054 0.000 0.771 281 P CB 1.507 33.227 31.700 0.033 0.000 0.864 282 S N 2.773 118.511 115.700 0.063 0.000 2.383 282 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 282 S C 1.929 176.573 174.600 0.074 0.000 1.030 282 S CA 1.085 59.326 58.200 0.068 0.000 1.002 282 S CB -1.299 61.931 63.200 0.049 0.000 0.829 282 S HN 0.532 nan 8.310 nan 0.000 0.467 283 A N 1.698 124.557 122.820 0.065 0.000 2.070 283 A HA 0.001 4.321 4.320 -0.000 0.000 0.220 283 A C 2.166 179.832 177.584 0.137 0.000 1.159 283 A CA 1.325 53.412 52.037 0.082 0.000 0.656 283 A CB -0.431 18.600 19.000 0.052 0.000 0.800 283 A HN 0.626 nan 8.150 nan 0.000 0.453 284 K N -0.856 119.613 120.400 0.114 0.000 2.379 284 K HA 0.268 4.588 4.320 -0.000 0.000 0.194 284 K C -0.303 176.428 176.600 0.218 0.000 1.031 284 K CA -0.049 56.330 56.287 0.153 0.000 1.037 284 K CB 0.215 32.747 32.500 0.053 0.000 0.824 284 K HN 0.455 nan 8.250 nan 0.000 0.516 285 I N 2.008 122.666 120.570 0.147 0.000 2.416 285 I HA 0.047 4.217 4.170 -0.000 0.000 0.288 285 I C -0.330 175.834 176.117 0.079 0.000 1.051 285 I CA -0.464 60.891 61.300 0.092 0.000 1.375 285 I CB 1.202 39.239 38.000 0.062 0.000 1.407 285 I HN -0.283 nan 8.210 nan 0.000 0.516 286 V N 7.423 127.361 119.914 0.041 0.000 2.540 286 V HA 0.320 4.440 4.120 -0.000 0.000 0.302 286 V C 0.039 176.154 176.094 0.035 0.000 1.035 286 V CA -0.702 61.595 62.300 -0.005 0.000 0.873 286 V CB 1.857 33.611 31.823 -0.115 0.000 0.992 286 V HN 0.694 nan 8.190 nan 0.000 0.428 287 M N 4.165 123.812 119.600 0.077 0.000 2.120 287 M HA 0.518 4.997 4.480 -0.000 0.000 0.354 287 M C 0.497 176.887 176.300 0.149 0.000 1.287 287 M CA -0.112 55.254 55.300 0.109 0.000 1.103 287 M CB 0.531 33.223 32.600 0.153 0.000 1.623 287 M HN 0.816 nan 8.290 nan 0.000 0.471 288 G N 4.155 113.058 108.800 0.171 0.000 2.420 288 G HA2 0.549 4.509 3.960 -0.000 0.000 0.284 288 G HA3 0.549 4.509 3.960 -0.000 0.000 0.284 288 G C -0.865 174.303 174.900 0.446 0.000 1.177 288 G CA -0.553 44.753 45.100 0.342 0.000 0.841 288 G HN 0.806 nan 8.290 nan 0.000 0.527 289 V N -0.475 119.745 119.914 0.510 0.000 2.876 289 V HA 0.857 4.977 4.120 -0.000 0.000 0.312 289 V C -2.686 173.657 176.094 0.416 0.000 1.085 289 V CA -2.668 59.912 62.300 0.467 0.000 0.945 289 V CB 2.588 34.566 31.823 0.258 0.000 1.017 289 V HN 0.659 nan 8.190 nan 0.000 0.428 290 P HA 0.459 nan 4.420 nan 0.000 0.292 290 P C -0.895 176.615 177.300 0.349 0.000 1.283 290 P CA -0.284 62.800 63.100 -0.027 0.000 0.835 290 P CB 1.516 32.855 31.700 -0.601 0.000 1.017 291 F N 2.167 122.166 119.950 0.082 0.000 2.750 291 F HA 0.259 4.786 4.527 -0.000 0.000 0.297 291 F C 0.228 176.114 175.800 0.143 0.000 1.138 291 F CA -0.486 57.565 58.000 0.085 0.000 1.346 291 F CB -0.537 38.482 39.000 0.031 0.000 0.965 291 F HN 0.243 nan 8.300 nan 0.000 0.514 292 Y N -2.674 117.773 120.300 0.244 0.000 2.625 292 Y HA 0.853 5.403 4.550 -0.000 0.000 0.338 292 Y C -0.291 175.719 175.900 0.184 0.000 1.123 292 Y CA -2.283 55.914 58.100 0.161 0.000 1.046 292 Y CB 0.885 39.416 38.460 0.117 0.000 1.299 292 Y HN -0.102 nan 8.280 nan 0.000 0.464 293 G N 0.875 109.777 108.800 0.170 0.000 2.537 293 G HA2 0.726 4.686 3.960 -0.000 0.000 0.308 293 G HA3 0.726 4.686 3.960 -0.000 0.000 0.308 293 G C -1.649 173.373 174.900 0.203 0.000 1.237 293 G CA -1.582 43.596 45.100 0.130 0.000 0.968 293 G HN 0.665 nan 8.290 nan 0.000 0.481 294 R N -0.397 120.207 120.500 0.173 0.000 2.562 294 R HA 0.659 4.999 4.340 -0.000 0.000 0.298 294 R C -0.476 175.886 176.300 0.102 0.000 0.961 294 R CA -0.530 55.645 56.100 0.124 0.000 0.881 294 R CB 2.188 32.566 30.300 0.130 0.000 1.159 294 R HN 0.636 nan 8.270 nan 0.000 0.450 295 A N 3.105 125.935 122.820 0.018 0.000 2.340 295 A HA 0.781 5.101 4.320 -0.000 0.000 0.331 295 A C -1.197 176.490 177.584 0.172 0.000 1.140 295 A CA -0.486 51.668 52.037 0.195 0.000 0.801 295 A CB 0.694 19.794 19.000 0.166 0.000 1.234 295 A HN 0.539 nan 8.150 nan 0.000 0.469 296 F N 0.678 120.807 119.950 0.297 0.000 2.546 296 F HA 0.593 5.120 4.527 -0.000 0.000 0.320 296 F C 0.460 176.242 175.800 -0.030 0.000 1.076 296 F CA -0.551 57.497 58.000 0.080 0.000 0.928 296 F CB 2.389 41.333 39.000 -0.094 0.000 1.189 296 F HN 0.694 nan 8.300 nan 0.000 0.465 297 K N -0.129 120.114 120.400 -0.263 0.000 2.350 297 K HA 0.781 5.101 4.320 -0.000 0.000 0.241 297 K C 0.369 176.866 176.600 -0.171 0.000 0.994 297 K CA -0.617 55.385 56.287 -0.475 0.000 0.839 297 K CB 1.995 33.633 32.500 -1.437 0.000 1.244 297 K HN 0.911 nan 8.250 nan 0.000 0.443 298 G N 0.371 109.095 108.800 -0.126 0.000 2.246 298 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.273 298 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.273 298 G C -0.027 174.895 174.900 0.036 0.000 1.055 298 G CA 0.284 45.355 45.100 -0.048 0.000 0.851 298 G HN 0.986 nan 8.290 nan 0.000 0.500 299 V N -2.422 117.544 119.914 0.087 0.000 3.134 299 V HA 0.923 5.042 4.120 -0.000 0.000 0.313 299 V C 0.582 176.743 176.094 0.111 0.000 1.069 299 V CA 0.089 62.451 62.300 0.103 0.000 1.048 299 V CB 1.919 33.816 31.823 0.123 0.000 1.119 299 V HN 1.156 nan 8.190 nan 0.000 0.461 300 S N 1.358 117.098 115.700 0.068 0.000 2.549 300 S HA 0.772 5.242 4.470 -0.000 0.000 0.297 300 S C 0.274 174.912 174.600 0.064 0.000 1.115 300 S CA 0.052 58.294 58.200 0.071 0.000 1.059 300 S CB 0.928 64.136 63.200 0.014 0.000 1.046 300 S HN 1.623 nan 8.310 nan 0.000 0.506 301 G N 0.932 109.797 108.800 0.109 0.000 2.588 301 G HA2 0.525 4.485 3.960 -0.000 0.000 0.278 301 G HA3 0.525 4.485 3.960 -0.000 0.000 0.278 301 G C 0.922 175.774 174.900 -0.081 0.000 1.307 301 G CA -0.001 45.098 45.100 -0.001 0.000 1.016 301 G HN 1.784 nan 8.290 nan 0.000 0.503 302 G N -0.994 107.732 108.800 -0.123 0.000 2.612 302 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.200 302 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.200 302 G C 0.564 175.398 174.900 -0.110 0.000 1.053 302 G CA 0.493 45.543 45.100 -0.084 0.000 0.707 302 G HN 0.936 nan 8.290 nan 0.000 0.497 303 N N 0.247 118.835 118.700 -0.186 0.000 2.536 303 N HA 0.426 5.166 4.740 -0.000 0.000 0.286 303 N C 1.223 176.580 175.510 -0.256 0.000 1.577 303 N CA 0.674 53.615 53.050 -0.183 0.000 0.883 303 N CB 0.070 38.446 38.487 -0.185 0.000 1.390 303 N HN 1.329 nan 8.380 nan 0.000 0.491 304 G N 0.132 108.724 108.800 -0.347 0.000 2.166 304 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.260 304 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.260 304 G C 0.853 175.472 174.900 -0.469 0.000 0.986 304 G CA 0.245 45.090 45.100 -0.425 0.000 0.683 304 G HN 0.907 nan 8.290 nan 0.000 0.527 305 G N -1.880 106.606 108.800 -0.523 0.000 2.195 305 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.224 305 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.224 305 G C 0.259 174.665 174.900 -0.824 0.000 0.990 305 G CA 0.724 45.676 45.100 -0.246 0.000 0.639 305 G HN 1.193 nan 8.290 nan 0.000 0.514 306 Q N -0.471 118.747 119.800 -0.969 0.000 2.314 306 Q HA 0.476 4.816 4.340 -0.000 0.000 0.258 306 Q C 0.503 175.853 176.000 -1.082 0.000 0.954 306 Q CA -0.356 54.540 55.803 -1.513 0.000 0.890 306 Q CB 0.318 28.016 28.738 -1.733 0.000 1.210 306 Q HN 0.668 nan 8.270 nan 0.000 0.410 307 Y N -1.468 118.429 120.300 -0.672 0.000 4.177 307 Y HA -0.279 4.271 4.550 -0.000 0.000 0.227 307 Y C 0.222 175.922 175.900 -0.332 0.000 1.154 307 Y CA 0.731 58.575 58.100 -0.426 0.000 1.887 307 Y CB -2.379 35.903 38.460 -0.297 0.000 1.594 307 Y HN 0.527 nan 8.280 nan 0.000 0.668 308 S N 0.288 115.815 115.700 -0.289 0.000 2.654 308 S HA 0.738 5.207 4.470 -0.000 0.000 0.283 308 S C 0.584 175.130 174.600 -0.089 0.000 1.180 308 S CA -0.083 58.015 58.200 -0.171 0.000 1.021 308 S CB 1.152 64.247 63.200 -0.175 0.000 1.018 308 S HN 0.572 nan 8.310 nan 0.000 0.532 309 S N 2.589 118.265 115.700 -0.041 0.000 2.600 309 S HA 0.472 4.942 4.470 -0.000 0.000 0.265 309 S C -0.227 174.401 174.600 0.046 0.000 1.325 309 S CA -0.418 57.771 58.200 -0.018 0.000 1.002 309 S CB 0.223 63.388 63.200 -0.059 0.000 0.921 309 S HN 1.012 nan 8.310 nan 0.000 0.554 310 H N -1.677 117.375 119.070 -0.029 0.000 2.960 310 H HA 0.530 5.086 4.556 -0.000 0.000 0.323 310 H C -1.322 173.998 175.328 -0.012 0.000 1.326 310 H CA -0.536 55.508 56.048 -0.006 0.000 1.124 310 H CB 0.927 30.733 29.762 0.074 0.000 1.853 310 H HN 0.732 nan 8.280 nan 0.000 0.536 311 S N 0.351 116.033 115.700 -0.029 0.000 2.384 311 S HA 0.251 4.721 4.470 -0.000 0.000 0.227 311 S C -0.656 173.934 174.600 -0.017 0.000 1.257 311 S CA -0.553 57.592 58.200 -0.092 0.000 1.249 311 S CB -0.651 62.491 63.200 -0.096 0.000 1.018 311 S HN 0.556 nan 8.310 nan 0.000 0.478 312 T N 4.398 119.089 114.554 0.229 0.000 2.744 312 T HA 0.410 4.760 4.350 -0.000 0.000 0.291 312 T C -2.785 172.041 174.700 0.211 0.000 0.957 312 T CA -1.371 60.847 62.100 0.197 0.000 1.002 312 T CB 0.935 69.940 68.868 0.228 0.000 0.919 312 T HN 0.171 nan 8.240 nan 0.000 0.468 313 P HA 0.136 nan 4.420 nan 0.000 0.260 313 P C 0.960 178.407 177.300 0.245 0.000 1.207 313 P CA 0.074 63.302 63.100 0.214 0.000 0.780 313 P CB 0.278 32.129 31.700 0.252 0.000 0.789 314 G N 2.725 111.650 108.800 0.209 0.000 2.920 314 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.208 314 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.208 314 G C 0.146 175.175 174.900 0.215 0.000 1.159 314 G CA -0.053 45.194 45.100 0.245 0.000 0.784 314 G HN 0.399 nan 8.290 nan 0.000 0.535 315 E N 2.275 122.582 120.200 0.178 0.000 2.220 315 E HA 0.193 4.543 4.350 -0.000 0.000 0.272 315 E C -0.580 176.118 176.600 0.163 0.000 1.099 315 E CA 0.024 56.510 56.400 0.143 0.000 0.907 315 E CB 0.665 30.427 29.700 0.103 0.000 1.022 315 E HN 0.175 nan 8.360 nan 0.000 0.428 316 D N 6.111 126.596 120.400 0.141 0.000 2.295 316 D HA 0.299 4.939 4.640 -0.000 0.000 0.248 316 D C -1.984 174.392 176.300 0.126 0.000 1.154 316 D CA -0.924 53.159 54.000 0.138 0.000 0.857 316 D CB 1.013 41.879 40.800 0.110 0.000 1.117 316 D HN 0.290 nan 8.370 nan 0.000 0.468 317 P HA -0.111 nan 4.420 nan 0.000 0.334 317 P C -0.990 176.417 177.300 0.178 0.000 0.742 317 P CA -0.441 62.746 63.100 0.145 0.000 1.763 317 P CB -1.227 30.537 31.700 0.106 0.000 1.653 318 Y N 2.609 122.966 120.300 0.096 0.000 2.871 318 Y HA -0.161 4.389 4.550 -0.000 0.000 0.393 318 Y C -1.480 174.478 175.900 0.097 0.000 1.137 318 Y CA 0.231 58.401 58.100 0.116 0.000 1.575 318 Y CB -0.007 38.535 38.460 0.137 0.000 1.037 318 Y HN 0.231 nan 8.280 nan 0.000 0.537 319 P HA 0.019 nan 4.420 nan 0.000 0.285 319 P C -0.477 176.405 177.300 -0.696 0.000 1.282 319 P CA 0.692 63.563 63.100 -0.382 0.000 0.778 319 P CB 0.224 31.767 31.700 -0.262 0.000 1.222 320 S N -2.404 113.049 115.700 -0.412 0.000 3.559 320 S HA -0.201 4.269 4.470 -0.000 0.000 0.826 320 S C 0.326 174.703 174.600 -0.372 0.000 1.761 320 S CA 1.052 59.043 58.200 -0.349 0.000 1.502 320 S CB -2.117 60.908 63.200 -0.291 0.000 0.307 320 S HN 0.510 nan 8.310 nan 0.000 0.689 321 T N 0.246 114.617 114.554 -0.304 0.000 3.243 321 T HA 0.268 4.618 4.350 -0.000 0.000 0.264 321 T C -0.161 174.085 174.700 -0.757 0.000 1.000 321 T CA 0.305 62.104 62.100 -0.502 0.000 0.901 321 T CB -0.369 68.374 68.868 -0.208 0.000 1.083 321 T HN 0.706 nan 8.240 nan 0.000 0.559 322 D N 1.640 121.797 120.400 -0.405 0.000 2.402 322 D HA 0.045 4.685 4.640 -0.000 0.000 0.235 322 D C -0.836 175.427 176.300 -0.063 0.000 1.226 322 D CA -0.528 53.391 54.000 -0.134 0.000 0.918 322 D CB 0.028 40.887 40.800 0.099 0.000 1.043 322 D HN 0.232 nan 8.370 nan 0.000 0.506 323 Y N 4.789 125.169 120.300 0.134 0.000 2.724 323 Y HA 0.131 4.681 4.550 -0.000 0.000 0.332 323 Y C 1.075 176.909 175.900 -0.110 0.000 1.276 323 Y CA -1.112 56.932 58.100 -0.092 0.000 1.597 323 Y CB -0.276 38.117 38.460 -0.111 0.000 1.584 323 Y HN 0.511 nan 8.280 nan 0.000 0.478 324 W N 0.537 121.902 121.300 0.107 0.000 2.525 324 W HA -0.012 4.648 4.660 -0.000 0.000 0.259 324 W C -0.097 176.420 176.519 -0.003 0.000 1.253 324 W CA -0.015 57.350 57.345 0.034 0.000 1.262 324 W CB -0.317 29.161 29.460 0.029 0.000 1.122 324 W HN 0.308 nan 8.180 nan 0.000 0.607 325 L N 3.351 124.358 121.223 -0.360 0.000 2.448 325 L HA 0.121 4.461 4.340 -0.000 0.000 0.278 325 L C 0.316 177.127 176.870 -0.098 0.000 1.201 325 L CA -0.211 54.484 54.840 -0.242 0.000 1.036 325 L CB 0.144 41.890 42.059 -0.523 0.000 1.325 325 L HN -0.345 nan 8.230 nan 0.000 0.441 326 V N 4.506 124.435 119.914 0.025 0.000 2.843 326 V HA -0.028 4.092 4.120 -0.000 0.000 0.305 326 V C 1.609 177.591 176.094 -0.187 0.000 1.120 326 V CA 1.397 63.681 62.300 -0.026 0.000 1.254 326 V CB 0.634 32.484 31.823 0.045 0.000 0.901 326 V HN 1.067 nan 8.190 nan 0.000 0.503 327 G N 2.482 110.920 108.800 -0.603 0.000 2.302 327 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.263 327 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.263 327 G C 0.686 175.254 174.900 -0.554 0.000 0.995 327 G CA 0.317 44.689 45.100 -1.212 0.000 0.622 327 G HN 1.132 nan 8.290 nan 0.000 0.538 328 C N 2.417 121.506 119.300 -0.351 0.000 2.311 328 C HA 0.573 5.033 4.460 -0.000 0.000 0.357 328 C C 1.848 176.688 174.990 -0.249 0.000 1.086 328 C CA 0.275 59.124 59.018 -0.281 0.000 1.486 328 C CB -1.198 26.373 27.740 -0.283 0.000 1.974 328 C HN 0.566 nan 8.230 nan 0.000 0.508 329 E N 1.609 121.687 120.200 -0.205 0.000 2.152 329 E HA -0.198 4.151 4.350 -0.000 0.000 0.192 329 E C 1.931 178.423 176.600 -0.179 0.000 0.983 329 E CA 0.923 57.224 56.400 -0.166 0.000 0.818 329 E CB 0.052 29.687 29.700 -0.108 0.000 0.758 329 E HN 0.891 nan 8.360 nan 0.000 0.467 330 E N 0.889 120.988 120.200 -0.168 0.000 2.110 330 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 330 E C 1.906 178.380 176.600 -0.210 0.000 0.988 330 E CA 1.266 57.575 56.400 -0.152 0.000 0.804 330 E CB -0.039 29.588 29.700 -0.121 0.000 0.745 330 E HN 0.244 nan 8.360 nan 0.000 0.458 331 C N 0.235 119.371 119.300 -0.273 0.000 2.413 331 C HA -0.087 4.373 4.460 -0.000 0.000 0.277 331 C C 2.654 177.313 174.990 -0.552 0.000 1.265 331 C CA 0.453 59.251 59.018 -0.366 0.000 1.752 331 C CB -0.804 26.693 27.740 -0.405 0.000 1.998 331 C HN 0.346 nan 8.230 nan 0.000 0.489 332 V N 1.013 120.589 119.914 -0.563 0.000 2.307 332 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 332 V C 2.736 178.565 176.094 -0.442 0.000 1.045 332 V CA 2.099 63.959 62.300 -0.733 0.000 1.024 332 V CB -0.747 30.842 31.823 -0.391 0.000 0.651 332 V HN 0.519 nan 8.190 nan 0.000 0.449 333 R N 0.298 120.642 120.500 -0.261 0.000 2.091 333 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 333 R C 1.441 177.663 176.300 -0.131 0.000 1.136 333 R CA 2.113 58.122 56.100 -0.151 0.000 0.959 333 R CB -0.245 29.995 30.300 -0.101 0.000 0.856 333 R HN 0.509 nan 8.270 nan 0.000 0.437 334 D N 0.379 120.684 120.400 -0.159 0.000 2.349 334 D HA 0.019 4.659 4.640 -0.000 0.000 0.214 334 D C -0.128 176.115 176.300 -0.095 0.000 1.063 334 D CA 0.128 54.068 54.000 -0.100 0.000 0.847 334 D CB 0.479 41.233 40.800 -0.076 0.000 0.933 334 D HN 0.067 nan 8.370 nan 0.000 0.513 335 K N 1.382 121.671 120.400 -0.184 0.000 3.096 335 K HA -0.176 4.144 4.320 -0.000 0.000 0.266 335 K C -0.557 176.100 176.600 0.096 0.000 1.043 335 K CA 0.608 56.881 56.287 -0.023 0.000 0.758 335 K CB -1.697 30.890 32.500 0.144 0.000 1.260 335 K HN 0.270 nan 8.250 nan 0.000 0.481 336 D N -0.392 119.929 120.400 -0.133 0.000 2.419 336 D HA 0.124 4.764 4.640 -0.000 0.000 0.219 336 D C -2.254 173.786 176.300 -0.433 0.000 1.349 336 D CA -1.057 52.802 54.000 -0.235 0.000 0.964 336 D CB 1.487 42.218 40.800 -0.114 0.000 1.463 336 D HN -0.130 nan 8.370 nan 0.000 0.573 337 P HA 0.123 nan 4.420 nan 0.000 0.253 337 P C 0.641 177.426 177.300 -0.858 0.000 1.260 337 P CA -0.003 62.537 63.100 -0.934 0.000 0.800 337 P CB 0.356 31.118 31.700 -1.565 0.000 1.162 338 R N -0.453 119.759 120.500 -0.480 0.000 2.317 338 R HA 0.381 4.721 4.340 -0.000 0.000 0.208 338 R C 0.808 177.032 176.300 -0.127 0.000 0.914 338 R CA 0.082 56.062 56.100 -0.199 0.000 1.060 338 R CB 0.311 30.572 30.300 -0.066 0.000 1.015 338 R HN 0.245 nan 8.270 nan 0.000 0.498 339 I N -0.243 120.238 120.570 -0.150 0.000 2.722 339 I HA 0.525 4.695 4.170 -0.000 0.000 0.292 339 I C -1.952 174.119 176.117 -0.076 0.000 1.267 339 I CA -0.835 60.440 61.300 -0.042 0.000 1.036 339 I CB 2.036 40.030 38.000 -0.010 0.000 1.281 339 I HN -0.049 nan 8.210 nan 0.000 0.423 340 A N 4.590 127.404 122.820 -0.009 0.000 2.517 340 A HA 0.660 4.980 4.320 -0.000 0.000 0.297 340 A C -0.524 177.077 177.584 0.028 0.000 1.050 340 A CA -0.248 51.756 52.037 -0.055 0.000 0.694 340 A CB 1.575 20.480 19.000 -0.159 0.000 1.277 340 A HN 0.829 nan 8.150 nan 0.000 0.400 341 S N 1.206 116.913 115.700 0.012 0.000 2.576 341 S HA 0.173 4.643 4.470 -0.000 0.000 0.272 341 S C 0.871 175.482 174.600 0.018 0.000 1.352 341 S CA 0.490 58.723 58.200 0.055 0.000 1.021 341 S CB 0.078 63.273 63.200 -0.007 0.000 0.887 341 S HN 1.321 nan 8.310 nan 0.000 0.542 342 Y N 2.210 122.487 120.300 -0.037 0.000 2.274 342 Y HA -0.142 4.408 4.550 -0.000 0.000 0.290 342 Y C 2.655 178.488 175.900 -0.112 0.000 1.145 342 Y CA 1.993 60.037 58.100 -0.094 0.000 1.203 342 Y CB -0.317 38.060 38.460 -0.139 0.000 0.984 342 Y HN 0.845 nan 8.280 nan 0.000 0.533 343 R N 0.017 120.455 120.500 -0.103 0.000 2.080 343 R HA -0.278 4.062 4.340 -0.000 0.000 0.236 343 R C 2.384 178.552 176.300 -0.221 0.000 1.137 343 R CA 2.105 58.118 56.100 -0.145 0.000 0.943 343 R CB -0.413 29.883 30.300 -0.007 0.000 0.846 343 R HN 0.400 nan 8.270 nan 0.000 0.431 344 Q N 0.612 120.303 119.800 -0.181 0.000 2.084 344 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 344 Q C 2.067 177.900 176.000 -0.277 0.000 0.978 344 Q CA 1.727 57.415 55.803 -0.191 0.000 0.844 344 Q CB -0.280 28.358 28.738 -0.167 0.000 0.898 344 Q HN 0.490 nan 8.270 nan 0.000 0.426 345 L N 0.288 121.291 121.223 -0.367 0.000 2.042 345 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 345 L C 2.561 179.133 176.870 -0.498 0.000 1.076 345 L CA 1.862 56.408 54.840 -0.490 0.000 0.749 345 L CB -0.574 41.124 42.059 -0.602 0.000 0.893 345 L HN 0.442 nan 8.230 nan 0.000 0.432 346 E N 0.107 119.947 120.200 -0.599 0.000 2.058 346 E HA -0.286 4.063 4.350 -0.000 0.000 0.194 346 E C 2.168 178.613 176.600 -0.257 0.000 0.997 346 E CA 1.447 57.549 56.400 -0.497 0.000 0.801 346 E CB 0.018 29.346 29.700 -0.620 0.000 0.746 346 E HN 0.524 nan 8.360 nan 0.000 0.450 347 Q N -0.412 119.264 119.800 -0.207 0.000 2.167 347 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 347 Q C 2.176 178.190 176.000 0.023 0.000 0.970 347 Q CA 1.504 57.260 55.803 -0.079 0.000 0.855 347 Q CB -0.027 28.676 28.738 -0.058 0.000 0.911 347 Q HN 0.396 nan 8.270 nan 0.000 0.438 348 M N -0.134 119.441 119.600 -0.041 0.000 2.200 348 M HA -0.130 4.349 4.480 -0.000 0.000 0.265 348 M C 1.977 178.381 176.300 0.174 0.000 1.066 348 M CA 1.148 56.517 55.300 0.115 0.000 1.127 348 M CB -0.010 32.441 32.600 -0.248 0.000 1.379 348 M HN 0.220 nan 8.290 nan 0.000 0.420 349 L N 0.270 121.466 121.223 -0.046 0.000 2.056 349 L HA -0.220 4.120 4.340 -0.000 0.000 0.207 349 L C 2.598 179.471 176.870 0.004 0.000 1.078 349 L CA 1.395 56.223 54.840 -0.021 0.000 0.749 349 L CB -0.413 41.585 42.059 -0.102 0.000 0.901 349 L HN 0.447 nan 8.230 nan 0.000 0.433 350 Q N -0.527 119.258 119.800 -0.025 0.000 2.472 350 Q HA 0.063 4.403 4.340 -0.000 0.000 0.208 350 Q C 1.081 177.042 176.000 -0.065 0.000 0.958 350 Q CA 0.549 56.329 55.803 -0.038 0.000 0.932 350 Q CB -0.235 28.477 28.738 -0.043 0.000 1.007 350 Q HN 0.382 nan 8.270 nan 0.000 0.508 351 G N 1.674 110.432 108.800 -0.071 0.000 2.494 351 G HA2 0.070 4.030 3.960 -0.000 0.000 0.270 351 G HA3 0.070 4.030 3.960 -0.000 0.000 0.270 351 G C -0.219 174.489 174.900 -0.321 0.000 1.423 351 G CA -0.452 44.459 45.100 -0.315 0.000 1.055 351 G HN 0.256 nan 8.290 nan 0.000 0.536 352 N N -1.843 116.531 118.700 -0.543 0.000 2.433 352 N HA 0.156 4.896 4.740 -0.000 0.000 0.270 352 N C 0.106 175.469 175.510 -0.246 0.000 1.354 352 N CA -0.462 52.416 53.050 -0.287 0.000 0.889 352 N CB 0.153 38.506 38.487 -0.224 0.000 1.285 352 N HN 0.364 nan 8.380 nan 0.000 0.503 353 Y N 0.250 120.568 120.300 0.030 0.000 2.688 353 Y HA 0.204 4.754 4.550 -0.000 0.000 0.311 353 Y C 1.731 177.480 175.900 -0.252 0.000 1.185 353 Y CA 0.408 58.515 58.100 0.012 0.000 1.336 353 Y CB -0.560 38.027 38.460 0.211 0.000 1.015 353 Y HN 0.220 nan 8.280 nan 0.000 0.522 354 G N -0.618 108.056 108.800 -0.210 0.000 2.289 354 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.280 354 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.280 354 G C -0.687 173.740 174.900 -0.788 0.000 1.089 354 G CA -0.440 44.336 45.100 -0.539 0.000 0.939 354 G HN 0.344 nan 8.290 nan 0.000 0.499 355 Y N -1.105 119.095 120.300 -0.167 0.000 2.409 355 Y HA 0.717 5.267 4.550 -0.000 0.000 0.339 355 Y C 0.475 176.344 175.900 -0.051 0.000 1.033 355 Y CA 0.177 58.229 58.100 -0.079 0.000 1.094 355 Y CB 2.062 40.528 38.460 0.010 0.000 1.210 355 Y HN 0.690 nan 8.280 nan 0.000 0.456 356 Q N 2.660 122.557 119.800 0.163 0.000 2.325 356 Q HA 0.509 4.849 4.340 -0.000 0.000 0.270 356 Q C -0.920 175.140 176.000 0.099 0.000 1.020 356 Q CA -1.258 54.613 55.803 0.113 0.000 0.785 356 Q CB 1.692 30.504 28.738 0.123 0.000 1.259 356 Q HN 0.757 nan 8.270 nan 0.000 0.452 357 R N 3.122 123.656 120.500 0.056 0.000 2.234 357 R HA 0.553 4.893 4.340 -0.000 0.000 0.324 357 R C -0.951 175.312 176.300 -0.061 0.000 1.054 357 R CA -0.223 55.892 56.100 0.026 0.000 0.912 357 R CB 0.331 30.681 30.300 0.083 0.000 1.030 357 R HN 0.542 nan 8.270 nan 0.000 0.455 358 L N 4.157 125.196 121.223 -0.307 0.000 2.286 358 L HA 0.529 4.869 4.340 -0.000 0.000 0.265 358 L C -0.410 176.320 176.870 -0.234 0.000 1.012 358 L CA -0.699 53.903 54.840 -0.397 0.000 0.818 358 L CB 1.510 43.084 42.059 -0.809 0.000 1.337 358 L HN 0.759 nan 8.230 nan 0.000 0.438 359 W N 2.442 123.652 121.300 -0.150 0.000 2.839 359 W HA 0.306 4.966 4.660 -0.000 0.000 0.334 359 W C -1.086 175.535 176.519 0.170 0.000 1.064 359 W CA -0.517 56.842 57.345 0.022 0.000 1.236 359 W CB 2.000 31.458 29.460 -0.004 0.000 1.405 359 W HN 0.501 nan 8.180 nan 0.000 0.478 360 N N 3.988 122.391 118.700 -0.494 0.000 2.444 360 N HA 0.034 4.774 4.740 -0.000 0.000 0.262 360 N C -0.009 175.066 175.510 -0.724 0.000 0.974 360 N CA 0.141 52.969 53.050 -0.370 0.000 0.933 360 N CB 1.323 39.606 38.487 -0.340 0.000 1.137 360 N HN 0.419 nan 8.380 nan 0.000 0.498 361 D N 2.408 122.640 120.400 -0.281 0.000 2.363 361 D HA 0.049 4.689 4.640 -0.000 0.000 0.226 361 D C 1.035 177.262 176.300 -0.122 0.000 1.020 361 D CA 0.725 54.661 54.000 -0.106 0.000 0.892 361 D CB 0.632 41.516 40.800 0.141 0.000 0.900 361 D HN 0.426 nan 8.370 nan 0.000 0.531 362 K N -0.832 119.478 120.400 -0.150 0.000 2.121 362 K HA 0.028 4.347 4.320 -0.000 0.000 0.203 362 K C 2.085 178.633 176.600 -0.088 0.000 1.041 362 K CA 1.232 57.474 56.287 -0.075 0.000 0.969 362 K CB -0.790 31.686 32.500 -0.041 0.000 0.799 362 K HN 0.226 nan 8.250 nan 0.000 0.456 363 T N -0.495 113.918 114.554 -0.236 0.000 3.023 363 T HA 0.014 4.364 4.350 -0.000 0.000 0.266 363 T C 0.438 174.900 174.700 -0.396 0.000 1.093 363 T CA 0.243 62.170 62.100 -0.289 0.000 1.129 363 T CB -0.026 68.550 68.868 -0.487 0.000 0.899 363 T HN 0.013 nan 8.240 nan 0.000 0.491 364 K N 2.106 122.155 120.400 -0.585 0.000 3.125 364 K HA -0.113 4.207 4.320 -0.000 0.000 0.268 364 K C -0.050 176.030 176.600 -0.867 0.000 1.078 364 K CA 1.225 57.066 56.287 -0.743 0.000 0.775 364 K CB -2.800 29.401 32.500 -0.497 0.000 1.253 364 K HN 0.898 nan 8.250 nan 0.000 0.486 365 T N -2.395 111.456 114.554 -1.172 0.000 2.903 365 T HA 0.721 5.071 4.350 -0.000 0.000 0.299 365 T C -2.905 171.403 174.700 -0.653 0.000 1.093 365 T CA -1.739 59.919 62.100 -0.736 0.000 1.002 365 T CB 3.785 72.423 68.868 -0.383 0.000 1.127 365 T HN -0.153 nan 8.240 nan 0.000 0.488 366 P HA 0.567 nan 4.420 nan 0.000 0.284 366 P C -1.616 175.755 177.300 0.119 0.000 1.287 366 P CA -0.588 62.506 63.100 -0.010 0.000 0.824 366 P CB 0.768 32.398 31.700 -0.117 0.000 1.180 367 Y N -2.552 117.841 120.300 0.156 0.000 2.604 367 Y HA 0.609 5.159 4.550 -0.000 0.000 0.331 367 Y C -1.897 174.119 175.900 0.194 0.000 1.158 367 Y CA -1.328 56.858 58.100 0.143 0.000 1.056 367 Y CB 0.556 38.987 38.460 -0.048 0.000 1.330 367 Y HN 0.086 nan 8.280 nan 0.000 0.457 368 L N 3.157 124.458 121.223 0.131 0.000 2.325 368 L HA 0.520 4.860 4.340 -0.000 0.000 0.278 368 L C -1.385 175.683 176.870 0.330 0.000 1.023 368 L CA -1.106 53.811 54.840 0.128 0.000 0.811 368 L CB 1.846 43.900 42.059 -0.009 0.000 1.249 368 L HN 0.771 nan 8.230 nan 0.000 0.431 369 Y N 2.264 122.712 120.300 0.246 0.000 2.373 369 Y HA 0.323 4.873 4.550 -0.000 0.000 0.336 369 Y C -0.710 175.356 175.900 0.277 0.000 0.979 369 Y CA -0.835 57.456 58.100 0.318 0.000 1.080 369 Y CB 1.043 39.682 38.460 0.299 0.000 1.190 369 Y HN 0.478 nan 8.280 nan 0.000 0.446 370 H N 6.300 125.147 119.070 -0.371 0.000 2.690 370 H HA 0.455 5.011 4.556 -0.000 0.000 0.280 370 H C 0.533 175.401 175.328 -0.767 0.000 1.138 370 H CA 0.546 56.312 56.048 -0.470 0.000 1.241 370 H CB 1.347 30.889 29.762 -0.368 0.000 1.394 370 H HN 1.001 nan 8.280 nan 0.000 0.489 371 A N 4.314 126.727 122.820 -0.679 0.000 1.903 371 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 371 A C 1.412 178.910 177.584 -0.143 0.000 1.191 371 A CA 1.290 53.057 52.037 -0.450 0.000 0.638 371 A CB -0.300 18.620 19.000 -0.134 0.000 0.823 371 A HN 0.770 nan 8.150 nan 0.000 0.451 372 Q N -1.888 117.907 119.800 -0.008 0.000 2.318 372 Q HA 0.230 4.570 4.340 -0.000 0.000 0.222 372 Q C 0.396 176.517 176.000 0.201 0.000 1.003 372 Q CA 0.183 56.059 55.803 0.121 0.000 0.936 372 Q CB 0.431 29.247 28.738 0.130 0.000 1.204 372 Q HN 0.494 nan 8.270 nan 0.000 0.524 373 N N -0.299 118.417 118.700 0.027 0.000 2.908 373 N HA -0.251 4.489 4.740 -0.000 0.000 0.227 373 N C 0.037 175.503 175.510 -0.074 0.000 0.834 373 N CA 1.801 54.792 53.050 -0.099 0.000 1.118 373 N CB -1.527 36.733 38.487 -0.378 0.000 1.008 373 N HN 0.992 nan 8.380 nan 0.000 0.623 374 G N -0.134 108.648 108.800 -0.030 0.000 2.415 374 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.283 374 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.283 374 G C -0.476 174.461 174.900 0.061 0.000 1.014 374 G CA 0.584 45.697 45.100 0.021 0.000 1.323 374 G HN 0.447 nan 8.290 nan 0.000 0.502 375 L N 0.163 121.440 121.223 0.090 0.000 2.354 375 L HA 0.887 5.227 4.340 -0.000 0.000 0.269 375 L C -0.244 176.894 176.870 0.447 0.000 1.005 375 L CA -1.284 53.707 54.840 0.252 0.000 0.819 375 L CB 2.216 44.424 42.059 0.248 0.000 1.311 375 L HN 0.283 nan 8.230 nan 0.000 0.423 376 F N 2.155 122.304 119.950 0.332 0.000 2.569 376 F HA 0.731 5.258 4.527 -0.000 0.000 0.312 376 F C -1.375 174.637 175.800 0.354 0.000 1.109 376 F CA -0.598 57.600 58.000 0.331 0.000 0.919 376 F CB 1.816 40.900 39.000 0.141 0.000 1.211 376 F HN 0.041 nan 8.300 nan 0.000 0.446 377 V N 4.332 123.953 119.914 -0.488 0.000 2.577 377 V HA 0.437 4.557 4.120 -0.000 0.000 0.303 377 V C -0.426 175.382 176.094 -0.476 0.000 1.042 377 V CA -0.708 61.413 62.300 -0.299 0.000 0.872 377 V CB 1.752 33.477 31.823 -0.163 0.000 0.998 377 V HN 0.861 nan 8.190 nan 0.000 0.423 378 T N 5.202 119.641 114.554 -0.192 0.000 2.795 378 T HA 0.766 5.116 4.350 -0.000 0.000 0.282 378 T C -0.890 173.949 174.700 0.232 0.000 0.980 378 T CA -0.137 61.968 62.100 0.009 0.000 1.012 378 T CB 0.609 69.554 68.868 0.128 0.000 0.936 378 T HN 0.867 nan 8.240 nan 0.000 0.457 379 Y N 1.412 121.714 120.300 0.004 0.000 2.853 379 Y HA 0.787 5.336 4.550 -0.000 0.000 0.326 379 Y C -1.773 174.123 175.900 -0.008 0.000 1.384 379 Y CA -1.637 56.451 58.100 -0.021 0.000 1.077 379 Y CB 0.398 38.842 38.460 -0.026 0.000 1.395 379 Y HN 0.507 nan 8.280 nan 0.000 0.451 380 D N 0.374 120.634 120.400 -0.233 0.000 2.419 380 D HA 0.540 5.180 4.640 -0.000 0.000 0.234 380 D C -1.372 174.555 176.300 -0.621 0.000 1.014 380 D CA -0.069 53.668 54.000 -0.438 0.000 0.919 380 D CB 1.960 42.643 40.800 -0.196 0.000 1.366 380 D HN 0.735 nan 8.370 nan 0.000 0.490 381 D N -0.983 118.930 120.400 -0.812 0.000 2.812 381 D HA 0.414 5.054 4.640 -0.000 0.000 0.318 381 D C 0.328 176.074 176.300 -0.922 0.000 1.234 381 D CA -0.755 52.763 54.000 -0.804 0.000 0.989 381 D CB 0.303 40.963 40.800 -0.233 0.000 1.442 381 D HN 0.277 nan 8.370 nan 0.000 0.537 382 A N -0.499 121.991 122.820 -0.549 0.000 2.019 382 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 382 A C 1.858 179.423 177.584 -0.032 0.000 1.164 382 A CA 1.944 53.845 52.037 -0.228 0.000 0.644 382 A CB -0.870 18.057 19.000 -0.121 0.000 0.805 382 A HN 0.641 nan 8.150 nan 0.000 0.449 383 E N 0.176 120.322 120.200 -0.090 0.000 2.046 383 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 383 E C 2.311 179.024 176.600 0.189 0.000 0.982 383 E CA 1.254 57.625 56.400 -0.048 0.000 0.800 383 E CB -0.067 29.491 29.700 -0.237 0.000 0.756 383 E HN 0.748 nan 8.360 nan 0.000 0.449 384 S N 0.168 116.036 115.700 0.281 0.000 2.399 384 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 384 S C 1.753 176.590 174.600 0.395 0.000 1.022 384 S CA 0.668 59.121 58.200 0.422 0.000 0.983 384 S CB -0.479 62.799 63.200 0.130 0.000 0.803 384 S HN 0.188 nan 8.310 nan 0.000 0.480 385 F N 2.384 122.411 119.950 0.128 0.000 2.451 385 F HA 0.220 4.747 4.527 -0.000 0.000 0.299 385 F C 2.222 178.029 175.800 0.011 0.000 1.101 385 F CA -0.108 57.963 58.000 0.117 0.000 1.436 385 F CB -0.663 38.418 39.000 0.135 0.000 1.074 385 F HN 0.287 nan 8.300 nan 0.000 0.553 386 K N -0.843 119.512 120.400 -0.075 0.000 2.025 386 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 386 K C 1.972 178.365 176.600 -0.344 0.000 1.049 386 K CA 1.579 57.488 56.287 -0.631 0.000 0.933 386 K CB -0.436 31.598 32.500 -0.775 0.000 0.714 386 K HN 0.206 nan 8.250 nan 0.000 0.438 387 Y N 1.413 121.757 120.300 0.074 0.000 2.163 387 Y HA -0.131 4.419 4.550 -0.000 0.000 0.288 387 Y C 2.193 178.181 175.900 0.148 0.000 1.136 387 Y CA 1.190 59.373 58.100 0.138 0.000 1.147 387 Y CB -0.176 38.385 38.460 0.168 0.000 0.987 387 Y HN -0.055 nan 8.280 nan 0.000 0.509 388 K N -0.135 120.430 120.400 0.274 0.000 2.097 388 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 388 K C 2.347 179.097 176.600 0.250 0.000 1.049 388 K CA 1.103 57.520 56.287 0.217 0.000 0.933 388 K CB -0.331 32.291 32.500 0.204 0.000 0.717 388 K HN 0.290 nan 8.250 nan 0.000 0.442 389 A N 1.620 124.536 122.820 0.161 0.000 1.898 389 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 389 A C 2.034 179.776 177.584 0.262 0.000 1.181 389 A CA 1.507 53.620 52.037 0.128 0.000 0.620 389 A CB -0.301 18.593 19.000 -0.176 0.000 0.819 389 A HN 0.199 nan 8.150 nan 0.000 0.442 390 K N -1.694 118.819 120.400 0.188 0.000 2.057 390 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 390 K C 1.896 178.658 176.600 0.270 0.000 1.049 390 K CA 1.718 58.130 56.287 0.208 0.000 0.931 390 K CB -0.411 32.180 32.500 0.151 0.000 0.714 390 K HN 0.506 nan 8.250 nan 0.000 0.440 391 Y N 1.231 121.646 120.300 0.192 0.000 2.165 391 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 391 Y C 1.762 177.769 175.900 0.179 0.000 1.155 391 Y CA 1.793 60.007 58.100 0.190 0.000 1.164 391 Y CB -0.078 38.467 38.460 0.142 0.000 0.978 391 Y HN 0.035 nan 8.280 nan 0.000 0.513 392 I N 0.097 120.881 120.570 0.356 0.000 2.264 392 I HA -0.349 3.821 4.170 -0.000 0.000 0.248 392 I C 2.288 178.496 176.117 0.151 0.000 1.111 392 I CA 1.652 63.112 61.300 0.266 0.000 1.382 392 I CB -0.322 37.914 38.000 0.393 0.000 1.060 392 I HN 0.221 nan 8.210 nan 0.000 0.418 393 K N 0.176 120.696 120.400 0.199 0.000 2.031 393 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 393 K C 2.156 178.791 176.600 0.059 0.000 1.049 393 K CA 1.103 57.473 56.287 0.139 0.000 0.939 393 K CB -0.125 32.496 32.500 0.201 0.000 0.717 393 K HN 0.370 nan 8.250 nan 0.000 0.438 394 Q N 0.476 120.297 119.800 0.036 0.000 2.084 394 Q HA -0.135 4.204 4.340 -0.000 0.000 0.202 394 Q C 1.721 177.675 176.000 -0.075 0.000 0.978 394 Q CA 1.034 56.830 55.803 -0.013 0.000 0.844 394 Q CB 0.111 28.843 28.738 -0.010 0.000 0.898 394 Q HN 0.242 nan 8.270 nan 0.000 0.426 395 Q N 0.239 119.935 119.800 -0.172 0.000 2.403 395 Q HA -0.004 4.336 4.340 -0.000 0.000 0.203 395 Q C -0.259 175.705 176.000 -0.059 0.000 0.932 395 Q CA 0.251 55.950 55.803 -0.173 0.000 0.945 395 Q CB 0.499 29.020 28.738 -0.362 0.000 1.045 395 Q HN 0.427 nan 8.270 nan 0.000 0.511 396 Q N 0.424 120.209 119.800 -0.025 0.000 2.453 396 Q HA -0.189 4.151 4.340 -0.000 0.000 0.294 396 Q C -0.503 175.509 176.000 0.019 0.000 1.295 396 Q CA 0.305 56.111 55.803 0.005 0.000 0.853 396 Q CB -2.171 26.572 28.738 0.008 0.000 1.193 396 Q HN 0.375 nan 8.270 nan 0.000 0.461 397 L N -1.306 119.932 121.223 0.025 0.000 2.466 397 L HA 0.231 4.571 4.340 -0.000 0.000 0.257 397 L C 1.875 178.764 176.870 0.032 0.000 1.189 397 L CA 0.528 55.398 54.840 0.049 0.000 0.813 397 L CB 0.158 42.267 42.059 0.083 0.000 1.118 397 L HN 0.335 nan 8.230 nan 0.000 0.471 398 G N -0.234 108.603 108.800 0.062 0.000 2.443 398 G HA2 0.310 4.270 3.960 -0.000 0.000 0.219 398 G HA3 0.310 4.270 3.960 -0.000 0.000 0.219 398 G C 0.581 175.418 174.900 -0.105 0.000 1.131 398 G CA 0.781 45.924 45.100 0.073 0.000 0.775 398 G HN 0.950 nan 8.290 nan 0.000 0.547 399 G N -2.112 106.608 108.800 -0.133 0.000 2.368 399 G HA2 0.387 4.347 3.960 -0.000 0.000 0.269 399 G HA3 0.387 4.347 3.960 -0.000 0.000 0.269 399 G C -1.737 173.145 174.900 -0.031 0.000 1.291 399 G CA 0.143 45.114 45.100 -0.214 0.000 0.903 399 G HN 0.814 nan 8.290 nan 0.000 0.483 400 V N 1.089 121.031 119.914 0.046 0.000 2.914 400 V HA 0.910 5.029 4.120 -0.000 0.000 0.314 400 V C -0.522 175.621 176.094 0.083 0.000 1.084 400 V CA -0.697 61.692 62.300 0.148 0.000 0.963 400 V CB 1.837 33.830 31.823 0.283 0.000 1.025 400 V HN 1.186 nan 8.190 nan 0.000 0.432 401 M N 5.958 125.632 119.600 0.123 0.000 2.619 401 M HA 0.699 5.179 4.480 -0.000 0.000 0.297 401 M C -2.147 174.291 176.300 0.230 0.000 1.229 401 M CA -0.555 54.783 55.300 0.063 0.000 0.860 401 M CB 2.135 34.788 32.600 0.088 0.000 1.741 401 M HN 0.800 nan 8.290 nan 0.000 0.462 402 F N 0.880 120.879 119.950 0.081 0.000 2.641 402 F HA 0.710 5.237 4.527 -0.000 0.000 0.308 402 F C -2.195 173.635 175.800 0.051 0.000 1.105 402 F CA -1.132 56.843 58.000 -0.042 0.000 0.964 402 F CB 1.117 39.761 39.000 -0.594 0.000 1.294 402 F HN 0.682 nan 8.300 nan 0.000 0.442 403 W N 5.464 126.812 121.300 0.080 0.000 2.362 403 W HA 0.554 5.214 4.660 -0.000 0.000 0.316 403 W C -1.896 174.724 176.519 0.169 0.000 1.024 403 W CA -0.626 56.772 57.345 0.089 0.000 1.270 403 W CB 1.384 30.791 29.460 -0.088 0.000 1.273 403 W HN 1.022 nan 8.180 nan 0.000 0.424 404 H N 2.352 121.205 119.070 -0.362 0.000 3.008 404 H HA 0.306 4.862 4.556 -0.000 0.000 0.354 404 H C 0.545 175.733 175.328 -0.235 0.000 1.252 404 H CA -0.965 54.725 56.048 -0.597 0.000 1.117 404 H CB 1.210 30.060 29.762 -1.520 0.000 1.857 404 H HN 0.270 nan 8.280 nan 0.000 0.547 405 L N 0.768 122.041 121.223 0.084 0.000 2.064 405 L HA -0.183 4.157 4.340 -0.000 0.000 0.216 405 L C 2.207 178.878 176.870 -0.332 0.000 1.077 405 L CA 2.151 57.104 54.840 0.188 0.000 0.766 405 L CB -0.643 41.621 42.059 0.342 0.000 0.890 405 L HN 1.078 nan 8.230 nan 0.000 0.435 406 G N -1.594 106.952 108.800 -0.424 0.000 2.708 406 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.210 406 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.210 406 G C 1.241 175.719 174.900 -0.705 0.000 1.141 406 G CA 0.124 44.636 45.100 -0.980 0.000 0.788 406 G HN 0.528 nan 8.290 nan 0.000 0.531 407 Q N -0.504 118.967 119.800 -0.548 0.000 2.319 407 Q HA 0.102 4.442 4.340 -0.000 0.000 0.209 407 Q C 0.238 176.243 176.000 0.008 0.000 0.884 407 Q CA -0.498 55.168 55.803 -0.228 0.000 0.938 407 Q CB 0.620 29.235 28.738 -0.204 0.000 1.098 407 Q HN 0.271 nan 8.270 nan 0.000 0.517 408 D N 1.938 122.368 120.400 0.049 0.000 2.361 408 D HA -0.027 4.613 4.640 -0.000 0.000 0.239 408 D C -0.110 176.277 176.300 0.145 0.000 1.200 408 D CA -0.005 54.039 54.000 0.074 0.000 0.915 408 D CB 0.657 41.531 40.800 0.124 0.000 1.170 408 D HN 0.099 nan 8.370 nan 0.000 0.444 409 N N 0.716 119.522 118.700 0.177 0.000 2.347 409 N HA 0.078 4.818 4.740 -0.000 0.000 0.253 409 N C 0.832 176.453 175.510 0.185 0.000 1.274 409 N CA -0.263 52.881 53.050 0.157 0.000 0.941 409 N CB 0.387 38.945 38.487 0.118 0.000 1.200 409 N HN 0.179 nan 8.380 nan 0.000 0.514 410 R N -0.159 120.427 120.500 0.143 0.000 2.127 410 R HA -0.043 4.297 4.340 -0.000 0.000 0.238 410 R C 0.554 176.912 176.300 0.097 0.000 1.134 410 R CA 0.961 57.136 56.100 0.126 0.000 0.975 410 R CB -1.031 29.307 30.300 0.064 0.000 0.865 410 R HN 0.627 nan 8.270 nan 0.000 0.447 411 N N 0.130 118.875 118.700 0.075 0.000 2.461 411 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 411 N C 0.608 176.153 175.510 0.059 0.000 1.134 411 N CA 0.940 54.020 53.050 0.051 0.000 0.878 411 N CB 0.204 38.709 38.487 0.030 0.000 0.972 411 N HN 0.378 nan 8.380 nan 0.000 0.456 412 G N 1.529 110.388 108.800 0.097 0.000 2.273 412 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.280 412 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.280 412 G C 0.521 175.420 174.900 -0.002 0.000 1.047 412 G CA 0.492 45.646 45.100 0.091 0.000 0.869 412 G HN 0.219 nan 8.290 nan 0.000 0.502 413 D N -0.152 120.230 120.400 -0.029 0.000 2.117 413 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 413 D C 2.742 178.908 176.300 -0.223 0.000 0.987 413 D CA 1.119 55.059 54.000 -0.098 0.000 0.829 413 D CB -0.059 40.712 40.800 -0.048 0.000 0.961 413 D HN 0.550 nan 8.370 nan 0.000 0.460 414 L N 0.086 121.083 121.223 -0.377 0.000 2.056 414 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 414 L C 2.429 179.128 176.870 -0.285 0.000 1.078 414 L CA 0.468 54.997 54.840 -0.519 0.000 0.749 414 L CB -0.389 40.927 42.059 -1.239 0.000 0.901 414 L HN 0.096 nan 8.230 nan 0.000 0.433 415 L N 0.505 121.618 121.223 -0.182 0.000 2.017 415 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 415 L C 2.651 179.471 176.870 -0.084 0.000 1.073 415 L CA 2.025 56.835 54.840 -0.050 0.000 0.745 415 L CB -0.794 41.321 42.059 0.092 0.000 0.894 415 L HN 0.124 nan 8.230 nan 0.000 0.432 416 A N -0.332 122.425 122.820 -0.105 0.000 1.940 416 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 416 A C 2.463 179.869 177.584 -0.297 0.000 1.176 416 A CA 1.989 53.941 52.037 -0.141 0.000 0.631 416 A CB -1.212 17.721 19.000 -0.111 0.000 0.814 416 A HN 0.618 nan 8.150 nan 0.000 0.446 417 A N -0.232 122.356 122.820 -0.386 0.000 1.877 417 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 417 A C 2.180 179.106 177.584 -1.096 0.000 1.186 417 A CA 1.498 53.069 52.037 -0.776 0.000 0.620 417 A CB -0.636 18.065 19.000 -0.499 0.000 0.822 417 A HN 0.475 nan 8.150 nan 0.000 0.443 418 L N -0.546 120.342 121.223 -0.558 0.000 2.012 418 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 418 L C 2.457 179.075 176.870 -0.420 0.000 1.073 418 L CA 1.958 56.503 54.840 -0.491 0.000 0.748 418 L CB -0.648 41.272 42.059 -0.230 0.000 0.891 418 L HN 0.549 nan 8.230 nan 0.000 0.431 419 D N -0.026 120.252 120.400 -0.203 0.000 2.117 419 D HA -0.245 4.395 4.640 -0.000 0.000 0.197 419 D C 2.308 178.542 176.300 -0.110 0.000 0.987 419 D CA 1.197 55.176 54.000 -0.034 0.000 0.829 419 D CB 0.041 40.840 40.800 -0.002 0.000 0.961 419 D HN 0.077 nan 8.370 nan 0.000 0.460 420 R N -1.132 119.177 120.500 -0.318 0.000 2.073 420 R HA -0.197 4.142 4.340 -0.000 0.000 0.234 420 R C 1.936 178.075 176.300 -0.267 0.000 1.134 420 R CA 1.411 57.325 56.100 -0.311 0.000 0.952 420 R CB -0.486 29.526 30.300 -0.480 0.000 0.850 420 R HN 0.266 nan 8.270 nan 0.000 0.433 421 Y N -0.420 119.583 120.300 -0.494 0.000 2.333 421 Y HA -0.141 4.409 4.550 -0.000 0.000 0.290 421 Y C 1.857 177.707 175.900 -0.082 0.000 1.144 421 Y CA 0.661 58.443 58.100 -0.530 0.000 1.228 421 Y CB -0.422 37.659 38.460 -0.632 0.000 0.985 421 Y HN 0.077 nan 8.280 nan 0.000 0.542 422 F N -0.700 119.338 119.950 0.146 0.000 2.374 422 F HA 0.070 4.597 4.527 -0.000 0.000 0.291 422 F C 1.586 177.456 175.800 0.116 0.000 1.084 422 F CA 0.593 58.673 58.000 0.134 0.000 1.413 422 F CB -0.298 38.754 39.000 0.087 0.000 1.099 422 F HN 0.035 nan 8.300 nan 0.000 0.534 423 N N -0.444 118.420 118.700 0.273 0.000 2.166 423 N HA 0.233 4.973 4.740 -0.000 0.000 0.213 423 N C 0.358 175.953 175.510 0.141 0.000 1.222 423 N CA 0.244 53.405 53.050 0.184 0.000 0.900 423 N CB 0.572 39.148 38.487 0.148 0.000 1.055 423 N HN -0.008 nan 8.380 nan 0.000 0.515 424 A N 1.001 123.906 122.820 0.141 0.000 2.454 424 A HA 0.543 4.863 4.320 -0.000 0.000 0.260 424 A C 1.387 179.064 177.584 0.155 0.000 1.106 424 A CA 0.056 52.170 52.037 0.128 0.000 0.780 424 A CB 0.412 19.483 19.000 0.119 0.000 1.044 424 A HN 0.241 nan 8.150 nan 0.000 0.498 425 A N 2.303 125.189 122.820 0.110 0.000 2.067 425 A HA -0.067 4.252 4.320 -0.000 0.000 0.219 425 A C 1.209 178.847 177.584 0.090 0.000 1.158 425 A CA 1.688 53.780 52.037 0.092 0.000 0.661 425 A CB -0.314 18.726 19.000 0.066 0.000 0.801 425 A HN 0.836 nan 8.150 nan 0.000 0.452 426 D N -2.774 117.689 120.400 0.105 0.000 2.342 426 D HA 0.098 4.737 4.640 -0.000 0.000 0.221 426 D C 0.019 176.401 176.300 0.137 0.000 1.101 426 D CA -0.342 53.715 54.000 0.093 0.000 0.837 426 D CB -0.510 40.335 40.800 0.074 0.000 0.938 426 D HN 0.411 nan 8.370 nan 0.000 0.508 427 Y N 1.490 121.820 120.300 0.051 0.000 2.330 427 Y HA 0.440 4.990 4.550 -0.000 0.000 0.336 427 Y C -1.280 174.648 175.900 0.046 0.000 1.036 427 Y CA -1.457 56.680 58.100 0.061 0.000 1.125 427 Y CB 1.387 39.915 38.460 0.113 0.000 1.194 427 Y HN -0.204 nan 8.280 nan 0.000 0.469 428 D N 4.627 124.639 120.400 -0.647 0.000 2.473 428 D HA 0.154 4.794 4.640 -0.000 0.000 0.253 428 D C -0.787 175.131 176.300 -0.637 0.000 1.233 428 D CA -0.612 53.102 54.000 -0.477 0.000 0.908 428 D CB 0.825 41.495 40.800 -0.217 0.000 1.170 428 D HN 0.689 nan 8.370 nan 0.000 0.558 429 D N 1.314 121.375 120.400 -0.566 0.000 2.368 429 D HA -0.026 4.614 4.640 -0.000 0.000 0.218 429 D C 1.268 177.469 176.300 -0.165 0.000 1.112 429 D CA 0.062 53.831 54.000 -0.386 0.000 0.834 429 D CB -0.026 40.619 40.800 -0.260 0.000 0.953 429 D HN 0.193 nan 8.370 nan 0.000 0.505 430 S N 0.000 115.623 115.700 -0.129 0.000 2.420 430 S HA -0.280 4.190 4.470 -0.000 0.000 0.237 430 S C 1.721 176.297 174.600 -0.039 0.000 1.023 430 S CA 0.954 59.120 58.200 -0.057 0.000 0.991 430 S CB -0.476 62.697 63.200 -0.046 0.000 0.792 430 S HN 0.345 nan 8.310 nan 0.000 0.488 431 Q N -0.139 119.624 119.800 -0.061 0.000 2.356 431 Q HA 0.371 4.711 4.340 -0.000 0.000 0.205 431 Q C -0.232 175.760 176.000 -0.013 0.000 0.901 431 Q CA -0.404 55.380 55.803 -0.032 0.000 0.938 431 Q CB 0.130 28.844 28.738 -0.040 0.000 1.081 431 Q HN 0.468 nan 8.270 nan 0.000 0.517 432 L N 2.267 123.469 121.223 -0.035 0.000 2.534 432 L HA 0.002 4.342 4.340 -0.000 0.000 0.271 432 L C -0.438 176.499 176.870 0.112 0.000 1.178 432 L CA 0.623 55.459 54.840 -0.006 0.000 0.907 432 L CB 0.464 42.454 42.059 -0.114 0.000 1.164 432 L HN -0.052 nan 8.230 nan 0.000 0.482 433 D N 4.429 124.946 120.400 0.195 0.000 2.280 433 D HA 0.152 4.792 4.640 -0.000 0.000 0.243 433 D C 0.924 177.430 176.300 0.344 0.000 1.129 433 D CA -0.373 53.756 54.000 0.214 0.000 0.848 433 D CB 0.912 41.805 40.800 0.154 0.000 1.107 433 D HN 0.495 nan 8.370 nan 0.000 0.471 434 M N 2.671 122.446 119.600 0.291 0.000 2.630 434 M HA 0.186 4.666 4.480 -0.000 0.000 0.254 434 M C 1.244 177.650 176.300 0.176 0.000 1.092 434 M CA 0.664 56.177 55.300 0.354 0.000 1.087 434 M CB -1.553 31.261 32.600 0.357 0.000 1.453 434 M HN 0.671 nan 8.290 nan 0.000 0.509 435 G N 0.723 109.577 108.800 0.089 0.000 2.681 435 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 435 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 435 G C 0.232 175.090 174.900 -0.071 0.000 1.353 435 G CA 0.140 45.249 45.100 0.015 0.000 0.872 435 G HN 0.397 nan 8.290 nan 0.000 0.557 436 T N -1.501 113.013 114.554 -0.067 0.000 3.182 436 T HA 0.596 4.946 4.350 -0.000 0.000 0.277 436 T C 1.268 175.905 174.700 -0.106 0.000 1.013 436 T CA 1.094 63.138 62.100 -0.093 0.000 0.900 436 T CB 0.528 69.369 68.868 -0.045 0.000 1.098 436 T HN 1.957 nan 8.240 nan 0.000 0.543 437 G N 1.828 110.561 108.800 -0.111 0.000 2.559 437 G HA2 0.442 4.402 3.960 -0.000 0.000 0.235 437 G HA3 0.442 4.402 3.960 -0.000 0.000 0.235 437 G C 0.034 174.885 174.900 -0.083 0.000 1.266 437 G CA -0.735 44.345 45.100 -0.033 0.000 0.847 437 G HN 0.597 nan 8.290 nan 0.000 0.583 438 L N 1.027 122.260 121.223 0.016 0.000 2.513 438 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 438 L C 0.830 177.763 176.870 0.105 0.000 1.187 438 L CA -0.332 54.526 54.840 0.030 0.000 0.895 438 L CB 0.204 42.295 42.059 0.054 0.000 1.147 438 L HN 0.367 nan 8.230 nan 0.000 0.483 439 R N 1.800 122.333 120.500 0.054 0.000 2.536 439 R HA 0.275 4.615 4.340 -0.000 0.000 0.279 439 R C -0.831 175.598 176.300 0.215 0.000 1.001 439 R CA -0.607 55.593 56.100 0.167 0.000 1.027 439 R CB 0.664 31.003 30.300 0.065 0.000 1.096 439 R HN 0.337 nan 8.270 nan 0.000 0.502 440 Y N 1.290 121.704 120.300 0.191 0.000 2.436 440 Y HA 0.065 4.615 4.550 -0.000 0.000 0.343 440 Y C 0.980 176.939 175.900 0.098 0.000 1.008 440 Y CA 0.234 58.427 58.100 0.156 0.000 1.241 440 Y CB 0.808 39.376 38.460 0.179 0.000 1.153 440 Y HN 0.748 nan 8.280 nan 0.000 0.521 441 T N 1.576 115.973 114.554 -0.261 0.000 3.144 441 T HA 0.254 4.604 4.350 -0.000 0.000 0.249 441 T C 0.903 175.468 174.700 -0.225 0.000 1.089 441 T CA 0.053 62.053 62.100 -0.166 0.000 0.989 441 T CB -0.506 68.275 68.868 -0.145 0.000 0.992 441 T HN 0.788 nan 8.240 nan 0.000 0.540 442 G N 1.062 109.612 108.800 -0.417 0.000 2.414 442 G HA2 0.435 4.395 3.960 -0.000 0.000 0.236 442 G HA3 0.435 4.395 3.960 -0.000 0.000 0.236 442 G C -0.645 174.229 174.900 -0.043 0.000 1.293 442 G CA -0.246 44.729 45.100 -0.209 0.000 0.869 442 G HN 0.417 nan 8.290 nan 0.000 0.556 443 V N 2.005 121.840 119.914 -0.132 0.000 2.540 443 V HA 0.840 4.960 4.120 -0.000 0.000 0.302 443 V C 0.741 176.721 176.094 -0.191 0.000 1.035 443 V CA 0.109 62.338 62.300 -0.118 0.000 0.873 443 V CB 1.450 33.194 31.823 -0.133 0.000 0.992 443 V HN 1.137 nan 8.190 nan 0.000 0.428 444 G N 3.782 112.492 108.800 -0.150 0.000 3.105 444 G HA2 0.616 4.576 3.960 -0.000 0.000 0.277 444 G HA3 0.616 4.576 3.960 -0.000 0.000 0.277 444 G C -2.516 172.242 174.900 -0.236 0.000 1.375 444 G CA -1.195 43.769 45.100 -0.226 0.000 0.962 444 G HN 0.459 nan 8.290 nan 0.000 0.541 445 P HA 0.001 nan 4.420 nan 0.000 0.218 445 P C 1.784 179.023 177.300 -0.101 0.000 1.148 445 P CA 1.670 64.628 63.100 -0.236 0.000 0.822 445 P CB 0.194 31.772 31.700 -0.203 0.000 0.784 446 G N -0.633 108.152 108.800 -0.026 0.000 2.712 446 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.212 446 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.212 446 G C 0.609 175.516 174.900 0.012 0.000 1.142 446 G CA 0.138 45.246 45.100 0.013 0.000 0.789 446 G HN 0.498 nan 8.290 nan 0.000 0.535 447 N N -0.709 117.986 118.700 -0.008 0.000 2.571 447 N HA 0.326 5.066 4.740 -0.000 0.000 0.298 447 N C -0.293 175.197 175.510 -0.032 0.000 1.671 447 N CA -0.524 52.525 53.050 -0.001 0.000 0.900 447 N CB 0.244 38.751 38.487 0.033 0.000 1.365 447 N HN -0.018 nan 8.380 nan 0.000 0.493 448 L N 1.413 122.602 121.223 -0.056 0.000 2.453 448 L HA 0.333 4.673 4.340 -0.000 0.000 0.272 448 L C -1.756 175.085 176.870 -0.049 0.000 1.182 448 L CA -1.537 53.256 54.840 -0.078 0.000 0.858 448 L CB 0.285 42.286 42.059 -0.097 0.000 1.120 448 L HN 0.202 nan 8.230 nan 0.000 0.474 449 P HA 0.252 nan 4.420 nan 0.000 0.281 449 P C -0.573 176.704 177.300 -0.039 0.000 1.249 449 P CA -0.494 62.583 63.100 -0.037 0.000 0.810 449 P CB 1.136 32.814 31.700 -0.036 0.000 1.008 450 I N 2.558 123.109 120.570 -0.031 0.000 2.588 450 I HA 0.082 4.252 4.170 -0.000 0.000 0.283 450 I C 1.711 177.810 176.117 -0.030 0.000 1.119 450 I CA 0.375 61.655 61.300 -0.033 0.000 1.419 450 I CB 0.098 38.082 38.000 -0.027 0.000 1.394 450 I HN 0.317 nan 8.210 nan 0.000 0.562 451 M N 1.991 121.572 119.600 -0.032 0.000 2.330 451 M HA 0.157 4.637 4.480 -0.000 0.000 0.207 451 M C 0.192 176.483 176.300 -0.014 0.000 1.622 451 M CA 0.278 55.564 55.300 -0.023 0.000 1.045 451 M CB 0.923 33.507 32.600 -0.028 0.000 1.461 451 M HN 0.700 nan 8.290 nan 0.000 0.564 452 T N 0.911 115.457 114.554 -0.014 0.000 0.552 452 T HA 0.162 4.512 4.350 -0.000 0.000 0.773 452 T C -1.469 173.238 174.700 0.012 0.000 0.992 452 T CA 0.120 62.218 62.100 -0.003 0.000 4.070 452 T CB -0.276 68.591 68.868 -0.001 0.000 2.299 452 T HN 0.779 nan 8.240 nan 0.000 0.397 453 A N 5.713 128.546 122.820 0.023 0.000 2.605 453 A HA 0.823 5.143 4.320 -0.000 0.000 0.294 453 A C -3.167 174.446 177.584 0.048 0.000 1.062 453 A CA -1.171 50.889 52.037 0.039 0.000 0.682 453 A CB 1.352 20.382 19.000 0.050 0.000 1.278 453 A HN 0.625 nan 8.150 nan 0.000 0.410 454 P HA 0.397 nan 4.420 nan 0.000 0.269 454 P C -0.072 177.272 177.300 0.073 0.000 1.209 454 P CA 0.216 63.352 63.100 0.060 0.000 0.776 454 P CB 0.660 32.403 31.700 0.072 0.000 0.876 455 A N 3.127 125.991 122.820 0.075 0.000 2.492 455 A HA 0.092 4.412 4.320 -0.000 0.000 0.254 455 A C -0.296 177.352 177.584 0.107 0.000 1.091 455 A CA -0.150 51.947 52.037 0.100 0.000 0.768 455 A CB -0.849 18.201 19.000 0.084 0.000 1.028 455 A HN 0.586 nan 8.150 nan 0.000 0.498 456 Y N 3.113 123.395 120.300 -0.031 0.000 2.810 456 Y HA 0.219 4.769 4.550 -0.000 0.000 0.332 456 Y C -0.111 175.786 175.900 -0.005 0.000 1.243 456 Y CA 0.696 58.743 58.100 -0.088 0.000 1.537 456 Y CB 0.357 38.590 38.460 -0.377 0.000 1.265 456 Y HN 0.388 nan 8.280 nan 0.000 0.572 457 V N 10.009 129.614 119.914 -0.516 0.000 2.311 457 V HA 0.249 4.369 4.120 -0.000 0.000 0.275 457 V C -2.083 173.591 176.094 -0.700 0.000 1.022 457 V CA -2.100 59.934 62.300 -0.444 0.000 0.830 457 V CB 0.836 32.523 31.823 -0.226 0.000 1.012 457 V HN 0.749 nan 8.190 nan 0.000 0.452 458 P HA 0.133 nan 4.420 nan 0.000 0.261 458 P C 1.068 178.257 177.300 -0.186 0.000 1.173 458 P CA 1.613 64.575 63.100 -0.230 0.000 0.760 458 P CB 0.491 32.167 31.700 -0.040 0.000 0.783 459 G N 1.603 110.329 108.800 -0.123 0.000 2.195 459 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.246 459 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.246 459 G C 0.362 175.171 174.900 -0.151 0.000 0.984 459 G CA 0.082 45.126 45.100 -0.095 0.000 0.633 459 G HN 0.590 nan 8.290 nan 0.000 0.525 460 T N 1.705 116.091 114.554 -0.280 0.000 2.913 460 T HA 0.574 4.924 4.350 -0.000 0.000 0.287 460 T C 0.204 174.643 174.700 -0.435 0.000 1.008 460 T CA 0.643 62.495 62.100 -0.413 0.000 1.067 460 T CB 1.588 70.068 68.868 -0.648 0.000 0.996 460 T HN 0.211 nan 8.240 nan 0.000 0.513 461 T N 2.792 117.104 114.554 -0.404 0.000 2.797 461 T HA 0.543 4.893 4.350 -0.000 0.000 0.279 461 T C -1.121 173.379 174.700 -0.333 0.000 0.991 461 T CA -0.427 61.533 62.100 -0.233 0.000 0.979 461 T CB 0.355 69.183 68.868 -0.068 0.000 0.943 461 T HN 0.410 nan 8.240 nan 0.000 0.444 462 Y N 0.799 121.116 120.300 0.028 0.000 2.468 462 Y HA 0.682 5.232 4.550 -0.000 0.000 0.342 462 Y C 0.580 176.396 175.900 -0.140 0.000 1.021 462 Y CA -1.247 56.847 58.100 -0.011 0.000 1.079 462 Y CB 1.240 39.767 38.460 0.111 0.000 1.226 462 Y HN 0.799 nan 8.280 nan 0.000 0.460 463 A N 1.518 124.337 122.820 -0.002 0.000 2.275 463 A HA 0.312 4.632 4.320 -0.000 0.000 0.282 463 A C -0.199 177.297 177.584 -0.146 0.000 1.275 463 A CA -0.666 51.273 52.037 -0.163 0.000 0.842 463 A CB 0.240 19.139 19.000 -0.168 0.000 1.280 463 A HN 0.789 nan 8.150 nan 0.000 0.508 464 Q N -1.245 118.469 119.800 -0.143 0.000 2.373 464 Q HA 0.404 4.744 4.340 -0.000 0.000 0.255 464 Q C 0.975 176.929 176.000 -0.076 0.000 0.980 464 Q CA 0.826 56.562 55.803 -0.113 0.000 0.882 464 Q CB 0.464 29.180 28.738 -0.036 0.000 1.249 464 Q HN 1.765 nan 8.270 nan 0.000 0.438 465 G N 1.759 110.513 108.800 -0.077 0.000 2.205 465 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.261 465 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.261 465 G C 0.218 175.119 174.900 0.001 0.000 0.980 465 G CA 0.117 45.201 45.100 -0.027 0.000 0.632 465 G HN 1.022 nan 8.290 nan 0.000 0.533 466 A N 0.973 123.789 122.820 -0.006 0.000 2.483 466 A HA 0.599 4.919 4.320 -0.000 0.000 0.238 466 A C 0.415 178.079 177.584 0.132 0.000 1.070 466 A CA 0.391 52.465 52.037 0.062 0.000 0.770 466 A CB 0.270 19.327 19.000 0.095 0.000 1.008 466 A HN 0.780 nan 8.150 nan 0.000 0.497 467 L N 2.520 123.814 121.223 0.117 0.000 2.346 467 L HA 0.754 5.094 4.340 -0.000 0.000 0.274 467 L C 0.079 176.996 176.870 0.079 0.000 1.007 467 L CA -0.444 54.474 54.840 0.131 0.000 0.818 467 L CB 0.832 42.940 42.059 0.081 0.000 1.284 467 L HN 0.854 nan 8.230 nan 0.000 0.424 468 V N -0.367 119.594 119.914 0.078 0.000 3.178 468 V HA 0.807 4.927 4.120 -0.000 0.000 0.302 468 V C -0.425 175.753 176.094 0.140 0.000 1.262 468 V CA -0.742 61.564 62.300 0.011 0.000 1.030 468 V CB 2.045 33.724 31.823 -0.238 0.000 1.074 468 V HN 0.867 nan 8.190 nan 0.000 0.438 469 S N 2.121 117.910 115.700 0.148 0.000 2.509 469 S HA 0.903 5.373 4.470 -0.000 0.000 0.297 469 S C -1.055 173.741 174.600 0.327 0.000 1.118 469 S CA -0.538 57.792 58.200 0.217 0.000 1.074 469 S CB 1.503 64.770 63.200 0.112 0.000 1.038 469 S HN 2.128 nan 8.310 nan 0.000 0.498 470 Y N 1.027 121.485 120.300 0.263 0.000 2.465 470 Y HA 0.259 4.809 4.550 -0.000 0.000 0.323 470 Y C -0.425 175.661 175.900 0.309 0.000 1.191 470 Y CA -0.675 57.538 58.100 0.189 0.000 1.082 470 Y CB 0.722 39.117 38.460 -0.109 0.000 1.334 470 Y HN 0.952 nan 8.280 nan 0.000 0.449 471 Q N 4.131 123.628 119.800 -0.505 0.000 2.461 471 Q HA -0.225 4.115 4.340 -0.000 0.000 0.273 471 Q C 0.971 176.790 176.000 -0.302 0.000 1.163 471 Q CA 1.594 57.119 55.803 -0.464 0.000 0.929 471 Q CB -1.554 26.815 28.738 -0.615 0.000 1.334 471 Q HN 1.803 nan 8.270 nan 0.000 0.499 472 G N -1.941 106.684 108.800 -0.292 0.000 2.148 472 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.254 472 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.254 472 G C -0.416 174.042 174.900 -0.737 0.000 0.981 472 G CA 0.608 45.409 45.100 -0.499 0.000 0.670 472 G HN 0.372 nan 8.290 nan 0.000 0.528 473 Y N -1.921 118.315 120.300 -0.107 0.000 2.634 473 Y HA 0.690 5.240 4.550 -0.000 0.000 0.340 473 Y C 0.211 175.945 175.900 -0.278 0.000 1.058 473 Y CA -1.282 56.646 58.100 -0.286 0.000 1.081 473 Y CB 1.885 39.996 38.460 -0.581 0.000 1.295 473 Y HN 0.107 nan 8.280 nan 0.000 0.487 474 V N 1.171 120.942 119.914 -0.239 0.000 2.459 474 V HA 0.379 4.499 4.120 -0.000 0.000 0.295 474 V C -1.326 174.566 176.094 -0.337 0.000 1.029 474 V CA -0.919 61.292 62.300 -0.147 0.000 0.874 474 V CB 0.865 32.648 31.823 -0.066 0.000 0.985 474 V HN 0.672 nan 8.190 nan 0.000 0.438 475 W N 2.526 123.812 121.300 -0.023 0.000 2.719 475 W HA 0.771 5.431 4.660 -0.000 0.000 0.352 475 W C -0.118 176.504 176.519 0.172 0.000 1.085 475 W CA -0.619 56.746 57.345 0.033 0.000 1.187 475 W CB 1.251 30.659 29.460 -0.087 0.000 1.417 475 W HN 0.447 nan 8.180 nan 0.000 0.557 476 Q N 0.854 120.938 119.800 0.474 0.000 2.372 476 Q HA 0.495 4.834 4.340 -0.000 0.000 0.273 476 Q C -0.446 175.653 176.000 0.165 0.000 1.078 476 Q CA -0.650 55.328 55.803 0.292 0.000 0.806 476 Q CB 2.138 30.946 28.738 0.116 0.000 1.332 476 Q HN 0.555 nan 8.270 nan 0.000 0.435 477 T N 0.233 114.695 114.554 -0.154 0.000 2.869 477 T HA 0.313 4.663 4.350 -0.000 0.000 0.295 477 T C 0.456 174.949 174.700 -0.345 0.000 0.987 477 T CA -0.507 61.263 62.100 -0.550 0.000 1.109 477 T CB 1.099 69.529 68.868 -0.729 0.000 0.932 477 T HN 0.690 nan 8.240 nan 0.000 0.518 478 K N 1.485 121.598 120.400 -0.478 0.000 2.400 478 K HA 0.205 4.525 4.320 -0.000 0.000 0.194 478 K C -0.090 176.535 176.600 0.042 0.000 1.033 478 K CA 0.125 56.294 56.287 -0.197 0.000 1.021 478 K CB 0.135 32.535 32.500 -0.167 0.000 0.808 478 K HN 0.850 nan 8.250 nan 0.000 0.505 479 W N -1.430 119.806 121.300 -0.106 0.000 2.874 479 W HA 0.563 5.223 4.660 -0.000 0.000 0.403 479 W C -0.460 176.000 176.519 -0.099 0.000 1.144 479 W CA -1.408 55.893 57.345 -0.073 0.000 1.175 479 W CB -0.147 29.290 29.460 -0.037 0.000 1.483 479 W HN -0.177 nan 8.180 nan 0.000 0.591 480 G N -0.803 108.178 108.800 0.302 0.000 2.547 480 G HA2 0.457 4.417 3.960 -0.000 0.000 0.291 480 G HA3 0.457 4.417 3.960 -0.000 0.000 0.291 480 G C -1.185 173.861 174.900 0.242 0.000 1.211 480 G CA -0.608 44.547 45.100 0.093 0.000 0.950 480 G HN 1.037 nan 8.290 nan 0.000 0.504 481 Y N -2.233 118.102 120.300 0.059 0.000 3.078 481 Y HA -0.166 4.384 4.550 -0.000 0.000 0.202 481 Y C 0.504 176.432 175.900 0.047 0.000 1.322 481 Y CA -0.386 57.746 58.100 0.052 0.000 1.118 481 Y CB -1.917 36.581 38.460 0.064 0.000 1.343 481 Y HN 0.218 nan 8.280 nan 0.000 0.499 482 I N 0.816 121.416 120.570 0.050 0.000 2.441 482 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 482 I C 1.335 177.536 176.117 0.140 0.000 1.049 482 I CA 0.392 61.696 61.300 0.008 0.000 1.381 482 I CB 1.225 39.039 38.000 -0.310 0.000 1.409 482 I HN 0.460 nan 8.210 nan 0.000 0.523 483 T N 0.131 114.782 114.554 0.162 0.000 3.111 483 T HA 0.203 4.553 4.350 -0.000 0.000 0.284 483 T C 0.532 175.362 174.700 0.216 0.000 0.983 483 T CA -0.310 61.893 62.100 0.171 0.000 0.900 483 T CB 0.267 69.202 68.868 0.112 0.000 1.132 483 T HN 0.442 nan 8.240 nan 0.000 0.531 484 S N 0.377 116.240 115.700 0.272 0.000 2.715 484 S HA 0.846 5.316 4.470 -0.000 0.000 0.307 484 S C -0.474 174.303 174.600 0.295 0.000 1.119 484 S CA -0.418 57.923 58.200 0.235 0.000 0.937 484 S CB 1.358 64.638 63.200 0.134 0.000 1.150 484 S HN 0.680 nan 8.310 nan 0.000 0.521 485 A N 2.163 124.955 122.820 -0.047 0.000 2.293 485 A HA 0.717 5.037 4.320 -0.000 0.000 0.302 485 A C -2.727 174.326 177.584 -0.884 0.000 1.119 485 A CA -1.723 49.840 52.037 -0.790 0.000 0.823 485 A CB -0.300 18.131 19.000 -0.947 0.000 1.097 485 A HN 0.584 nan 8.150 nan 0.000 0.491 486 P HA 0.195 nan 4.420 nan 0.000 0.264 486 P C 1.083 177.834 177.300 -0.915 0.000 1.183 486 P CA 2.212 64.317 63.100 -1.659 0.000 0.763 486 P CB 0.600 30.708 31.700 -2.654 0.000 0.807 487 G N 2.125 110.546 108.800 -0.631 0.000 2.234 487 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 487 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 487 G C 0.976 175.818 174.900 -0.096 0.000 0.987 487 G CA 0.554 45.542 45.100 -0.187 0.000 0.625 487 G HN 0.522 nan 8.290 nan 0.000 0.532 488 S N -0.167 115.435 115.700 -0.163 0.000 2.780 488 S HA 0.376 4.846 4.470 -0.000 0.000 0.248 488 S C -0.546 174.044 174.600 -0.016 0.000 1.036 488 S CA 0.412 58.567 58.200 -0.075 0.000 1.061 488 S CB 0.757 63.895 63.200 -0.102 0.000 1.037 488 S HN 0.576 nan 8.310 nan 0.000 0.584 489 D N 0.167 120.577 120.400 0.016 0.000 2.613 489 D HA 0.218 4.858 4.640 -0.000 0.000 0.230 489 D C 0.436 176.789 176.300 0.088 0.000 1.365 489 D CA -0.195 53.861 54.000 0.094 0.000 0.976 489 D CB 1.697 42.595 40.800 0.163 0.000 1.415 489 D HN -0.129 nan 8.370 nan 0.000 0.589 490 S N 2.284 118.035 115.700 0.084 0.000 2.528 490 S HA -0.114 4.356 4.470 -0.000 0.000 0.244 490 S C 1.693 176.221 174.600 -0.119 0.000 0.982 490 S CA 1.403 59.653 58.200 0.083 0.000 0.953 490 S CB -0.065 63.248 63.200 0.190 0.000 0.754 490 S HN 0.539 nan 8.310 nan 0.000 0.529 491 A N -0.493 122.089 122.820 -0.397 0.000 2.167 491 A HA 0.169 4.489 4.320 -0.000 0.000 0.214 491 A C 0.262 177.337 177.584 -0.849 0.000 1.151 491 A CA -0.058 51.265 52.037 -1.190 0.000 0.735 491 A CB -0.229 17.963 19.000 -1.348 0.000 0.802 491 A HN 0.667 nan 8.150 nan 0.000 0.467 492 W N -0.977 120.138 121.300 -0.308 0.000 2.469 492 W HA 0.565 5.225 4.660 -0.000 0.000 0.320 492 W C -0.443 176.114 176.519 0.062 0.000 1.086 492 W CA -0.845 56.423 57.345 -0.129 0.000 1.211 492 W CB 1.137 30.491 29.460 -0.178 0.000 1.298 492 W HN 0.063 nan 8.180 nan 0.000 0.525 493 L N 4.320 125.762 121.223 0.366 0.000 2.305 493 L HA 0.407 4.747 4.340 -0.000 0.000 0.284 493 L C -0.003 176.983 176.870 0.192 0.000 1.013 493 L CA -1.162 53.813 54.840 0.226 0.000 0.819 493 L CB 0.997 43.104 42.059 0.079 0.000 1.227 493 L HN 0.356 nan 8.230 nan 0.000 0.417 494 K N 4.094 124.454 120.400 -0.066 0.000 2.378 494 K HA 0.264 4.583 4.320 -0.000 0.000 0.288 494 K C 0.416 176.769 176.600 -0.411 0.000 1.057 494 K CA 0.259 56.146 56.287 -0.667 0.000 0.971 494 K CB 0.544 32.398 32.500 -1.076 0.000 0.975 494 K HN 0.673 nan 8.250 nan 0.000 0.475 495 V N 0.802 120.521 119.914 -0.325 0.000 3.556 495 V HA 0.460 4.580 4.120 -0.000 0.000 0.287 495 V C 0.477 176.459 176.094 -0.186 0.000 1.422 495 V CA 0.295 62.472 62.300 -0.204 0.000 1.038 495 V CB 0.332 32.094 31.823 -0.100 0.000 0.850 495 V HN 0.719 nan 8.190 nan 0.000 0.437 496 G N 0.932 109.600 108.800 -0.220 0.000 2.623 496 G HA2 0.662 4.622 3.960 -0.000 0.000 0.290 496 G HA3 0.662 4.622 3.960 -0.000 0.000 0.290 496 G C -1.389 173.456 174.900 -0.091 0.000 1.437 496 G CA -0.942 44.078 45.100 -0.134 0.000 0.798 496 G HN 0.587 nan 8.290 nan 0.000 0.488 497 R N -0.383 120.091 120.500 -0.044 0.000 2.740 497 R HA 0.824 5.164 4.340 -0.000 0.000 0.282 497 R C -0.222 176.030 176.300 -0.080 0.000 0.969 497 R CA -0.634 55.443 56.100 -0.037 0.000 0.918 497 R CB 1.768 32.062 30.300 -0.011 0.000 1.175 497 R HN 1.015 nan 8.270 nan 0.000 0.464 498 V N -0.487 119.352 119.914 -0.124 0.000 3.886 498 V HA -0.119 4.001 4.120 -0.000 0.000 0.551 498 V C 0.163 176.224 176.094 -0.056 0.000 0.715 498 V CA 1.625 63.868 62.300 -0.095 0.000 2.122 498 V CB -0.860 30.911 31.823 -0.086 0.000 2.499 498 V HN 1.380 nan 8.190 nan 0.000 0.524 499 A N 0.000 122.795 122.820 -0.041 0.000 2.254 499 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 499 A CA 0.000 nan 52.037 nan 0.000 0.836 499 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486