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 3gwj_1_C DATA FIRST_RESID 8 DATA SEQUENCE HVLKTKDVDT VFVERQKKVL SLFQDVDQLN TNDEYYKIGK DYDIEANIDN DATA SEQUENCE YTNKKAVEDF LKMYRCGFLP KYNEFSVFHD KLRDEAIALF HLFYYAKDFD DATA SEQUENCE TFYKSAAFAR VHLNQGQFLY AYYIAIIQRK DTYGIVLPAP YEIYPELFVN DATA SEQUENCE IDTTYKMFRT KMQNGLINPE AAVEYGIVKE DNHYVYYSNY SNAITYYNEE DATA SEQUENCE QRLAYFTEDI GLNAYYFFFH IHLPFWWTAE KYGNLKERRG EMYHYFYDQL DATA SEQUENCE LTRYYFERLT NGLGTIPEFS WYSPVKTGHY PLLTSYYTPF SQRPNFYNVH DATA SEQUENCE SEENYEKIRF LDAYENYFVQ ALQKGVFEGF GQTIYLNDSK ANSFVGNYWQ DATA SEQUENCE DNADLYGEEV TKDYQRSYEI VARQVLGAAP KPFDKYTFMP SALDFYQTSL DATA SEQUENCE RDPTFYQLYN RIIGYFNQFK QYLEPHSQEK LHFVGVKVNN VVVDKLVTFF DATA SEQUENCE EYYDFDATNT VFLTEEELKT KYPHNLKVRQ PRLNHQPFNI NIDIKADVAT DATA SEQUENCE DAVVKIFMGP KYNENGFPIT LENDWMKFFE MDWFTHKITP GQNTIVRNSN DATA SEQUENCE EFVIFKEDSL PSTELYKLLE KGKVPFDMSE DFGYLPKRLM LPRGTKGGFP DATA SEQUENCE FQFVVFVYPF ESTTKNLTPY EKFMIDNKPL GYPFDRPVDT SCFKQPNIFF DATA SEQUENCE RDVSVYHEGE YHAYEYNVPA YFSH 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 8 H HA 0.000 nan 4.556 nan 0.000 0.296 8 H C 0.000 175.336 175.328 0.013 0.000 0.993 8 H CA 0.000 56.051 56.048 0.005 0.000 1.023 8 H CB 0.000 29.769 29.762 0.011 0.000 1.292 9 V N 5.963 125.681 119.914 -0.327 0.000 2.539 9 V HA 0.316 4.438 4.120 0.002 0.000 0.292 9 V C 0.576 176.430 176.094 -0.400 0.000 1.045 9 V CA -0.833 61.297 62.300 -0.283 0.000 0.945 9 V CB 1.384 33.126 31.823 -0.134 0.000 0.993 9 V HN 0.684 nan 8.190 nan 0.000 0.464 10 L N 1.762 122.827 121.223 -0.263 0.000 2.290 10 L HA 0.580 4.921 4.340 0.002 0.000 0.284 10 L C 0.233 177.060 176.870 -0.072 0.000 1.078 10 L CA -0.440 54.304 54.840 -0.160 0.000 0.815 10 L CB 0.350 42.378 42.059 -0.052 0.000 1.162 10 L HN 0.558 nan 8.230 nan 0.000 0.435 11 K N 2.403 122.778 120.400 -0.042 0.000 2.451 11 K HA 0.113 4.434 4.320 0.002 0.000 0.280 11 K C -0.010 176.617 176.600 0.045 0.000 1.020 11 K CA 0.116 56.380 56.287 -0.040 0.000 1.008 11 K CB 0.682 33.126 32.500 -0.093 0.000 0.917 11 K HN 0.912 nan 8.250 nan 0.000 0.478 12 T N 2.665 117.232 114.554 0.020 0.000 2.905 12 T HA 0.459 4.811 4.350 0.002 0.000 0.283 12 T C -1.402 173.356 174.700 0.097 0.000 1.031 12 T CA -0.799 61.338 62.100 0.063 0.000 1.002 12 T CB 1.089 69.968 68.868 0.018 0.000 1.200 12 T HN 0.653 nan 8.240 nan 0.000 0.560 13 K N 1.049 121.498 120.400 0.081 0.000 2.527 13 K HA 0.379 4.700 4.320 0.002 0.000 0.260 13 K C -1.601 174.978 176.600 -0.034 0.000 0.937 13 K CA -0.740 55.589 56.287 0.069 0.000 0.826 13 K CB 1.622 34.194 32.500 0.120 0.000 1.359 13 K HN 0.609 nan 8.250 nan 0.000 0.434 14 D N 2.560 122.928 120.400 -0.053 0.000 2.210 14 D HA 0.303 4.944 4.640 0.002 0.000 0.249 14 D C -0.474 175.725 176.300 -0.168 0.000 1.078 14 D CA -0.185 53.764 54.000 -0.085 0.000 0.875 14 D CB 1.859 42.629 40.800 -0.051 0.000 1.175 14 D HN 0.357 nan 8.370 nan 0.000 0.440 15 V N -0.956 118.842 119.914 -0.193 0.000 2.876 15 V HA 0.506 4.627 4.120 0.002 0.000 0.312 15 V C -0.421 175.613 176.094 -0.099 0.000 1.085 15 V CA -1.169 60.955 62.300 -0.293 0.000 0.945 15 V CB 2.015 33.455 31.823 -0.639 0.000 1.017 15 V HN 0.460 nan 8.190 nan 0.000 0.428 16 D N 1.485 121.858 120.400 -0.045 0.000 2.433 16 D HA 0.304 4.946 4.640 0.002 0.000 0.255 16 D C 1.090 177.429 176.300 0.066 0.000 1.226 16 D CA 0.365 54.376 54.000 0.018 0.000 1.015 16 D CB 0.446 41.258 40.800 0.019 0.000 1.091 16 D HN 0.522 nan 8.370 nan 0.000 0.527 17 T N -0.629 113.948 114.554 0.039 0.000 2.788 17 T HA -0.115 4.236 4.350 0.002 0.000 0.268 17 T C 1.889 176.598 174.700 0.016 0.000 1.044 17 T CA 1.125 63.243 62.100 0.029 0.000 1.139 17 T CB -0.325 68.549 68.868 0.009 0.000 0.867 17 T HN 0.277 nan 8.240 nan 0.000 0.454 18 V N 1.172 121.094 119.914 0.013 0.000 2.233 18 V HA -0.157 3.964 4.120 0.002 0.000 0.247 18 V C 1.953 178.010 176.094 -0.061 0.000 1.050 18 V CA 1.864 64.141 62.300 -0.037 0.000 1.010 18 V CB -0.816 30.994 31.823 -0.020 0.000 0.637 18 V HN 0.434 nan 8.190 nan 0.000 0.444 19 F N 0.686 120.563 119.950 -0.121 0.000 2.065 19 F HA -0.254 4.274 4.527 0.002 0.000 0.298 19 F C 2.317 178.039 175.800 -0.130 0.000 1.112 19 F CA 2.236 60.159 58.000 -0.129 0.000 1.212 19 F CB -0.405 38.545 39.000 -0.083 0.000 0.975 19 F HN -0.053 nan 8.300 nan 0.000 0.476 20 V N 0.560 120.603 119.914 0.214 0.000 2.324 20 V HA -0.321 3.801 4.120 0.002 0.000 0.250 20 V C 2.387 178.445 176.094 -0.059 0.000 1.060 20 V CA 2.252 64.617 62.300 0.108 0.000 1.042 20 V CB -0.685 31.202 31.823 0.107 0.000 0.650 20 V HN 0.358 nan 8.190 nan 0.000 0.450 21 E N -0.050 120.086 120.200 -0.107 0.000 2.150 21 E HA -0.131 4.220 4.350 0.002 0.000 0.193 21 E C 2.396 178.829 176.600 -0.278 0.000 0.985 21 E CA 0.903 57.211 56.400 -0.153 0.000 0.814 21 E CB -0.273 29.338 29.700 -0.147 0.000 0.752 21 E HN 0.600 nan 8.360 nan 0.000 0.466 22 R N 0.421 120.632 120.500 -0.482 0.000 2.090 22 R HA -0.081 4.260 4.340 0.002 0.000 0.228 22 R C 2.347 178.429 176.300 -0.363 0.000 1.110 22 R CA 0.993 56.634 56.100 -0.764 0.000 0.973 22 R CB -0.255 29.330 30.300 -1.191 0.000 0.869 22 R HN 0.084 nan 8.270 nan 0.000 0.440 23 Q N 1.765 121.310 119.800 -0.424 0.000 2.135 23 Q HA -0.133 4.208 4.340 0.002 0.000 0.204 23 Q C 1.617 177.554 176.000 -0.105 0.000 0.981 23 Q CA 1.755 57.373 55.803 -0.310 0.000 0.856 23 Q CB 0.046 28.576 28.738 -0.348 0.000 0.902 23 Q HN 0.182 nan 8.270 nan 0.000 0.425 24 K N -0.523 119.850 120.400 -0.046 0.000 2.148 24 K HA -0.075 4.247 4.320 0.002 0.000 0.204 24 K C 1.979 178.656 176.600 0.129 0.000 1.050 24 K CA 0.871 57.223 56.287 0.109 0.000 0.942 24 K CB 0.095 32.674 32.500 0.132 0.000 0.724 24 K HN 0.026 nan 8.250 nan 0.000 0.446 25 K N 0.656 121.087 120.400 0.052 0.000 2.031 25 K HA -0.086 4.235 4.320 0.002 0.000 0.205 25 K C 2.264 179.018 176.600 0.256 0.000 1.049 25 K CA 1.313 57.639 56.287 0.065 0.000 0.939 25 K CB -0.479 32.007 32.500 -0.024 0.000 0.717 25 K HN 0.155 nan 8.250 nan 0.000 0.438 26 V N -0.690 119.394 119.914 0.284 0.000 2.427 26 V HA -0.135 3.986 4.120 0.002 0.000 0.248 26 V C 2.167 178.467 176.094 0.343 0.000 1.051 26 V CA 1.327 63.819 62.300 0.321 0.000 1.048 26 V CB -0.809 31.140 31.823 0.211 0.000 0.666 26 V HN 0.103 nan 8.190 nan 0.000 0.456 27 L N 1.923 123.311 121.223 0.275 0.000 2.275 27 L HA -0.060 4.281 4.340 0.002 0.000 0.215 27 L C 2.857 179.943 176.870 0.360 0.000 1.119 27 L CA 1.478 56.515 54.840 0.328 0.000 0.790 27 L CB -0.599 41.516 42.059 0.094 0.000 0.919 27 L HN 0.646 nan 8.230 nan 0.000 0.443 28 S N -0.521 115.366 115.700 0.312 0.000 2.515 28 S HA -0.077 4.394 4.470 0.002 0.000 0.231 28 S C 1.522 176.200 174.600 0.130 0.000 0.987 28 S CA 0.531 58.908 58.200 0.295 0.000 0.936 28 S CB -0.073 63.317 63.200 0.316 0.000 0.766 28 S HN 0.275 nan 8.310 nan 0.000 0.528 29 L N -0.141 121.079 121.223 -0.005 0.000 2.640 29 L HA 0.530 4.871 4.340 0.002 0.000 0.230 29 L C 0.476 177.153 176.870 -0.322 0.000 1.123 29 L CA 0.379 54.991 54.840 -0.379 0.000 0.900 29 L CB -0.571 41.126 42.059 -0.604 0.000 1.146 29 L HN 0.337 nan 8.230 nan 0.000 0.484 30 F N -0.862 119.104 119.950 0.025 0.000 2.647 30 F HA 0.254 4.782 4.527 0.002 0.000 0.300 30 F C 0.772 176.532 175.800 -0.067 0.000 1.106 30 F CA -0.394 57.607 58.000 0.002 0.000 1.313 30 F CB 0.446 39.451 39.000 0.009 0.000 1.007 30 F HN -0.017 nan 8.300 nan 0.000 0.536 31 Q N 0.344 120.142 119.800 -0.004 0.000 2.245 31 Q HA 0.118 4.459 4.340 0.002 0.000 0.256 31 Q C -0.041 175.730 176.000 -0.382 0.000 0.942 31 Q CA -0.448 55.193 55.803 -0.269 0.000 0.896 31 Q CB 1.287 29.709 28.738 -0.526 0.000 1.272 31 Q HN 0.223 nan 8.270 nan 0.000 0.442 32 D N 0.718 120.863 120.400 -0.425 0.000 2.706 32 D HA -0.191 4.450 4.640 0.002 0.000 0.230 32 D C 0.913 177.120 176.300 -0.154 0.000 1.184 32 D CA 0.835 54.667 54.000 -0.279 0.000 0.628 32 D CB -0.516 40.117 40.800 -0.279 0.000 1.019 32 D HN 0.481 nan 8.370 nan 0.000 0.415 33 V N -2.423 117.425 119.914 -0.111 0.000 2.527 33 V HA -0.248 3.873 4.120 0.002 0.000 0.255 33 V C 1.694 177.768 176.094 -0.032 0.000 1.081 33 V CA 2.170 64.437 62.300 -0.055 0.000 1.092 33 V CB -0.230 31.602 31.823 0.014 0.000 0.673 33 V HN 0.244 nan 8.190 nan 0.000 0.470 34 D N -0.537 119.829 120.400 -0.057 0.000 2.340 34 D HA 0.191 4.832 4.640 0.002 0.000 0.220 34 D C 0.854 177.157 176.300 0.004 0.000 1.039 34 D CA 0.525 54.511 54.000 -0.022 0.000 0.866 34 D CB 0.393 41.166 40.800 -0.045 0.000 0.913 34 D HN 0.713 nan 8.370 nan 0.000 0.523 35 Q N -0.135 119.661 119.800 -0.006 0.000 2.451 35 Q HA 0.530 4.871 4.340 0.002 0.000 0.281 35 Q C -1.210 174.842 176.000 0.087 0.000 1.099 35 Q CA -0.753 55.106 55.803 0.094 0.000 0.806 35 Q CB 2.387 31.194 28.738 0.116 0.000 1.419 35 Q HN -0.001 nan 8.270 nan 0.000 0.427 36 L N 2.169 123.457 121.223 0.108 0.000 2.307 36 L HA 0.463 4.804 4.340 0.002 0.000 0.284 36 L C -0.539 176.374 176.870 0.072 0.000 1.023 36 L CA -0.719 54.207 54.840 0.143 0.000 0.810 36 L CB 1.526 43.669 42.059 0.139 0.000 1.231 36 L HN 0.519 nan 8.230 nan 0.000 0.423 37 N N 1.103 119.848 118.700 0.075 0.000 2.621 37 N HA 0.083 4.824 4.740 0.002 0.000 0.237 37 N C 0.908 176.198 175.510 -0.367 0.000 0.997 37 N CA -0.236 52.762 53.050 -0.085 0.000 0.918 37 N CB 1.362 39.891 38.487 0.070 0.000 1.122 37 N HN 0.680 nan 8.380 nan 0.000 0.510 38 T N -0.148 114.056 114.554 -0.582 0.000 3.025 38 T HA -0.045 4.306 4.350 0.002 0.000 0.270 38 T C 0.961 175.387 174.700 -0.456 0.000 1.126 38 T CA 0.853 62.375 62.100 -0.964 0.000 1.105 38 T CB 0.030 68.339 68.868 -0.931 0.000 0.884 38 T HN 0.317 nan 8.240 nan 0.000 0.522 39 N N 1.158 119.675 118.700 -0.304 0.000 2.424 39 N HA 0.068 4.809 4.740 0.002 0.000 0.178 39 N C -0.286 175.115 175.510 -0.182 0.000 1.060 39 N CA 0.280 53.211 53.050 -0.200 0.000 0.901 39 N CB -0.021 38.368 38.487 -0.164 0.000 0.979 39 N HN 0.485 nan 8.380 nan 0.000 0.451 40 D N 0.869 121.116 120.400 -0.255 0.000 2.345 40 D HA 0.017 4.658 4.640 0.002 0.000 0.247 40 D C 1.254 177.406 176.300 -0.246 0.000 1.108 40 D CA -0.041 53.805 54.000 -0.257 0.000 0.894 40 D CB 1.457 42.013 40.800 -0.407 0.000 1.203 40 D HN 0.071 nan 8.370 nan 0.000 0.430 41 E N 1.815 121.970 120.200 -0.076 0.000 2.097 41 E HA -0.307 4.044 4.350 0.002 0.000 0.196 41 E C 1.567 178.179 176.600 0.019 0.000 1.000 41 E CA 1.230 57.634 56.400 0.007 0.000 0.804 41 E CB -0.131 29.621 29.700 0.086 0.000 0.740 41 E HN 0.732 nan 8.360 nan 0.000 0.454 42 Y N -0.820 119.532 120.300 0.087 0.000 2.241 42 Y HA -0.270 4.281 4.550 0.002 0.000 0.286 42 Y C 1.972 177.823 175.900 -0.082 0.000 1.166 42 Y CA 1.422 59.504 58.100 -0.030 0.000 1.203 42 Y CB -1.266 37.133 38.460 -0.102 0.000 0.977 42 Y HN 0.173 nan 8.280 nan 0.000 0.529 43 Y N 1.348 121.314 120.300 -0.556 0.000 2.163 43 Y HA -0.107 4.444 4.550 0.002 0.000 0.288 43 Y C 2.511 178.321 175.900 -0.151 0.000 1.136 43 Y CA 2.180 60.072 58.100 -0.346 0.000 1.147 43 Y CB -0.353 37.830 38.460 -0.461 0.000 0.987 43 Y HN -0.000 nan 8.280 nan 0.000 0.509 44 K N 1.052 121.473 120.400 0.035 0.000 2.057 44 K HA -0.127 4.194 4.320 0.002 0.000 0.207 44 K C 2.037 178.623 176.600 -0.024 0.000 1.049 44 K CA 1.784 58.087 56.287 0.027 0.000 0.931 44 K CB -0.815 31.721 32.500 0.061 0.000 0.714 44 K HN 0.513 nan 8.250 nan 0.000 0.440 45 I N -0.236 120.328 120.570 -0.009 0.000 2.127 45 I HA -0.240 3.931 4.170 0.002 0.000 0.241 45 I C 2.322 178.436 176.117 -0.004 0.000 1.075 45 I CA 1.670 62.972 61.300 0.003 0.000 1.334 45 I CB -0.686 37.311 38.000 -0.006 0.000 1.040 45 I HN 0.261 nan 8.210 nan 0.000 0.405 46 G N 0.487 109.240 108.800 -0.079 0.000 2.408 46 G HA2 -0.259 3.702 3.960 0.002 0.000 0.217 46 G HA3 -0.259 3.702 3.960 0.002 0.000 0.217 46 G C 1.704 176.644 174.900 0.065 0.000 1.150 46 G CA 0.625 45.709 45.100 -0.026 0.000 0.776 46 G HN 0.307 nan 8.290 nan 0.000 0.542 47 K N 0.374 120.659 120.400 -0.193 0.000 2.103 47 K HA -0.114 4.207 4.320 0.002 0.000 0.207 47 K C 1.226 177.911 176.600 0.141 0.000 1.048 47 K CA 1.696 57.887 56.287 -0.160 0.000 0.930 47 K CB 0.004 32.224 32.500 -0.468 0.000 0.716 47 K HN 0.214 nan 8.250 nan 0.000 0.444 48 D N -0.880 119.594 120.400 0.122 0.000 2.398 48 D HA -0.065 4.576 4.640 0.002 0.000 0.210 48 D C -0.205 176.199 176.300 0.174 0.000 1.094 48 D CA -0.161 53.921 54.000 0.135 0.000 0.839 48 D CB -0.002 40.847 40.800 0.082 0.000 0.963 48 D HN 0.135 nan 8.370 nan 0.000 0.506 49 Y N 2.892 123.257 120.300 0.109 0.000 2.721 49 Y HA -0.016 4.535 4.550 0.002 0.000 0.329 49 Y C 0.225 176.106 175.900 -0.032 0.000 1.211 49 Y CA -0.065 58.061 58.100 0.045 0.000 1.512 49 Y CB 0.329 38.822 38.460 0.055 0.000 1.249 49 Y HN -0.240 nan 8.280 nan 0.000 0.549 50 D N 7.375 127.416 120.400 -0.599 0.000 2.454 50 D HA 0.138 4.780 4.640 0.002 0.000 0.225 50 D C 1.033 176.829 176.300 -0.839 0.000 1.081 50 D CA -0.086 53.586 54.000 -0.546 0.000 0.864 50 D CB 0.462 41.096 40.800 -0.276 0.000 1.040 50 D HN 0.782 nan 8.370 nan 0.000 0.517 51 I N 2.488 122.553 120.570 -0.842 0.000 2.179 51 I HA -0.261 3.910 4.170 0.002 0.000 0.242 51 I C 2.242 178.173 176.117 -0.309 0.000 1.088 51 I CA 0.845 61.772 61.300 -0.621 0.000 1.357 51 I CB -0.010 37.634 38.000 -0.594 0.000 1.051 51 I HN 0.405 nan 8.210 nan 0.000 0.409 52 E N 1.631 121.680 120.200 -0.250 0.000 2.033 52 E HA -0.276 4.076 4.350 0.002 0.000 0.199 52 E C 2.122 178.658 176.600 -0.107 0.000 1.011 52 E CA 2.127 58.446 56.400 -0.135 0.000 0.815 52 E CB -0.338 29.301 29.700 -0.103 0.000 0.755 52 E HN 0.412 nan 8.360 nan 0.000 0.451 53 A N -0.087 122.651 122.820 -0.138 0.000 2.032 53 A HA -0.201 4.120 4.320 0.002 0.000 0.221 53 A C 1.603 179.141 177.584 -0.076 0.000 1.165 53 A CA 1.977 53.953 52.037 -0.101 0.000 0.645 53 A CB -0.616 18.316 19.000 -0.115 0.000 0.807 53 A HN 0.382 nan 8.150 nan 0.000 0.453 54 N N -1.147 117.497 118.700 -0.094 0.000 2.235 54 N HA 0.249 4.990 4.740 0.002 0.000 0.209 54 N C 1.017 176.593 175.510 0.111 0.000 1.122 54 N CA -0.063 52.982 53.050 -0.008 0.000 0.845 54 N CB -0.082 38.403 38.487 -0.004 0.000 1.004 54 N HN 0.523 nan 8.380 nan 0.000 0.499 55 I N 0.521 121.154 120.570 0.106 0.000 2.300 55 I HA -0.329 3.842 4.170 0.002 0.000 0.252 55 I C 0.666 176.897 176.117 0.190 0.000 1.119 55 I CA 1.517 62.927 61.300 0.184 0.000 1.384 55 I CB 0.182 38.213 38.000 0.052 0.000 1.062 55 I HN 0.128 nan 8.210 nan 0.000 0.426 56 D N 0.849 121.298 120.400 0.081 0.000 2.350 56 D HA -0.105 4.536 4.640 0.002 0.000 0.216 56 D C 1.076 177.382 176.300 0.010 0.000 0.968 56 D CA 0.683 54.708 54.000 0.040 0.000 0.894 56 D CB -0.362 40.446 40.800 0.012 0.000 0.909 56 D HN 0.445 nan 8.370 nan 0.000 0.520 57 N N -0.055 118.623 118.700 -0.037 0.000 2.276 57 N HA 0.000 4.742 4.740 0.002 0.000 0.212 57 N C -0.732 174.514 175.510 -0.439 0.000 1.127 57 N CA 0.062 52.978 53.050 -0.223 0.000 0.834 57 N CB 0.321 38.636 38.487 -0.287 0.000 1.014 57 N HN 0.227 nan 8.380 nan 0.000 0.491 58 Y N -0.827 119.484 120.300 0.018 0.000 2.462 58 Y HA 0.175 4.726 4.550 0.002 0.000 0.346 58 Y C 1.602 177.498 175.900 -0.007 0.000 0.976 58 Y CA -0.995 57.122 58.100 0.029 0.000 1.044 58 Y CB 1.438 39.919 38.460 0.034 0.000 1.230 58 Y HN -0.086 nan 8.280 nan 0.000 0.455 59 T N -2.595 112.041 114.554 0.137 0.000 3.148 59 T HA 0.045 4.396 4.350 0.002 0.000 0.253 59 T C 0.227 174.862 174.700 -0.108 0.000 1.134 59 T CA 0.483 62.597 62.100 0.023 0.000 1.051 59 T CB -0.416 68.475 68.868 0.038 0.000 0.959 59 T HN 0.574 nan 8.240 nan 0.000 0.525 60 N N 0.266 118.844 118.700 -0.202 0.000 2.609 60 N HA 0.322 5.063 4.740 0.002 0.000 0.268 60 N C 0.723 176.103 175.510 -0.217 0.000 1.106 60 N CA -0.607 52.199 53.050 -0.406 0.000 0.823 60 N CB 0.972 38.768 38.487 -1.152 0.000 1.263 60 N HN -0.018 nan 8.380 nan 0.000 0.533 61 K N 1.237 121.570 120.400 -0.112 0.000 2.148 61 K HA -0.158 4.163 4.320 0.002 0.000 0.204 61 K C 1.596 178.154 176.600 -0.070 0.000 1.050 61 K CA 0.830 57.081 56.287 -0.061 0.000 0.942 61 K CB 0.185 32.667 32.500 -0.029 0.000 0.724 61 K HN 0.450 nan 8.250 nan 0.000 0.446 62 K N 1.230 121.577 120.400 -0.088 0.000 2.026 62 K HA -0.133 4.188 4.320 0.002 0.000 0.208 62 K C 2.166 178.745 176.600 -0.035 0.000 1.048 62 K CA 1.236 57.492 56.287 -0.053 0.000 0.929 62 K CB -0.125 32.343 32.500 -0.053 0.000 0.713 62 K HN 0.082 nan 8.250 nan 0.000 0.439 63 A N 0.817 123.586 122.820 -0.085 0.000 1.892 63 A HA -0.156 4.166 4.320 0.002 0.000 0.218 63 A C 2.259 179.877 177.584 0.058 0.000 1.188 63 A CA 1.994 54.035 52.037 0.007 0.000 0.631 63 A CB -0.825 18.172 19.000 -0.005 0.000 0.822 63 A HN 0.202 nan 8.150 nan 0.000 0.447 64 V N 0.022 119.906 119.914 -0.050 0.000 2.343 64 V HA -0.259 3.862 4.120 0.002 0.000 0.247 64 V C 2.378 178.475 176.094 0.006 0.000 1.051 64 V CA 2.250 64.479 62.300 -0.118 0.000 1.036 64 V CB -0.879 30.769 31.823 -0.290 0.000 0.654 64 V HN 0.646 nan 8.190 nan 0.000 0.451 65 E N -0.175 120.029 120.200 0.007 0.000 2.106 65 E HA -0.206 4.145 4.350 0.002 0.000 0.192 65 E C 1.947 178.589 176.600 0.070 0.000 0.984 65 E CA 1.285 57.703 56.400 0.030 0.000 0.806 65 E CB -0.175 29.532 29.700 0.012 0.000 0.750 65 E HN 0.607 nan 8.360 nan 0.000 0.458 66 D N 0.436 120.890 120.400 0.091 0.000 2.117 66 D HA -0.154 4.487 4.640 0.002 0.000 0.197 66 D C 1.707 178.098 176.300 0.152 0.000 0.987 66 D CA 0.764 54.831 54.000 0.113 0.000 0.829 66 D CB -0.279 40.600 40.800 0.131 0.000 0.961 66 D HN 0.107 nan 8.370 nan 0.000 0.460 67 F N 1.502 121.494 119.950 0.069 0.000 2.134 67 F HA -0.115 4.413 4.527 0.002 0.000 0.299 67 F C 2.135 177.990 175.800 0.092 0.000 1.097 67 F CA 1.058 59.118 58.000 0.099 0.000 1.264 67 F CB -0.275 38.726 39.000 0.002 0.000 1.001 67 F HN -0.134 nan 8.300 nan 0.000 0.479 68 L N 0.328 121.664 121.223 0.189 0.000 2.056 68 L HA -0.204 4.137 4.340 0.002 0.000 0.207 68 L C 2.609 179.508 176.870 0.048 0.000 1.078 68 L CA 1.718 56.625 54.840 0.112 0.000 0.749 68 L CB -0.785 41.328 42.059 0.091 0.000 0.901 68 L HN 0.135 nan 8.230 nan 0.000 0.433 69 K N 0.355 120.781 120.400 0.044 0.000 2.057 69 K HA -0.221 4.100 4.320 0.002 0.000 0.207 69 K C 2.232 178.852 176.600 0.034 0.000 1.049 69 K CA 1.503 57.811 56.287 0.035 0.000 0.931 69 K CB -0.040 32.483 32.500 0.038 0.000 0.714 69 K HN 0.164 nan 8.250 nan 0.000 0.440 70 M N -0.239 119.387 119.600 0.044 0.000 2.099 70 M HA -0.176 4.306 4.480 0.002 0.000 0.262 70 M C 2.014 178.424 176.300 0.183 0.000 1.067 70 M CA 1.536 56.905 55.300 0.114 0.000 1.124 70 M CB -0.227 32.463 32.600 0.150 0.000 1.353 70 M HN 0.263 nan 8.290 nan 0.000 0.410 71 Y N 0.652 120.829 120.300 -0.204 0.000 2.256 71 Y HA -0.228 4.323 4.550 0.002 0.000 0.288 71 Y C 2.022 177.815 175.900 -0.179 0.000 1.155 71 Y CA 1.672 59.485 58.100 -0.477 0.000 1.203 71 Y CB -0.071 37.860 38.460 -0.883 0.000 0.980 71 Y HN 0.169 nan 8.280 nan 0.000 0.530 72 R N -1.508 118.915 120.500 -0.130 0.000 2.189 72 R HA -0.109 4.232 4.340 0.002 0.000 0.223 72 R C 1.953 178.178 176.300 -0.125 0.000 1.092 72 R CA 1.147 57.157 56.100 -0.149 0.000 0.989 72 R CB -0.471 29.807 30.300 -0.036 0.000 0.876 72 R HN 0.349 nan 8.270 nan 0.000 0.457 73 C N -0.296 118.971 119.300 -0.056 0.000 2.673 73 C HA 0.333 4.794 4.460 0.002 0.000 0.264 73 C C 0.943 175.947 174.990 0.023 0.000 1.304 73 C CA 0.521 59.535 59.018 -0.007 0.000 1.727 73 C CB -0.732 27.024 27.740 0.028 0.000 1.932 73 C HN 0.722 nan 8.230 nan 0.000 0.563 74 G N -0.110 108.696 108.800 0.010 0.000 2.674 74 G HA2 0.084 4.045 3.960 0.002 0.000 0.686 74 G HA3 0.084 4.045 3.960 0.002 0.000 0.686 74 G C -1.084 174.075 174.900 0.432 0.000 1.195 74 G CA -0.813 44.342 45.100 0.092 0.000 0.776 74 G HN 0.001 nan 8.290 nan 0.000 0.654 75 F N -0.042 119.908 119.950 0.001 0.000 2.639 75 F HA 0.790 5.318 4.527 0.002 0.000 0.339 75 F C 0.651 176.298 175.800 -0.254 0.000 1.071 75 F CA -1.408 56.601 58.000 0.015 0.000 0.994 75 F CB 1.500 40.531 39.000 0.052 0.000 1.341 75 F HN 0.671 nan 8.300 nan 0.000 0.498 76 L N 5.725 126.731 121.223 -0.361 0.000 2.578 76 L HA 0.191 4.532 4.340 0.002 0.000 0.279 76 L C -2.238 174.469 176.870 -0.272 0.000 1.227 76 L CA -0.841 53.519 54.840 -0.800 0.000 0.900 76 L CB -0.425 41.449 42.059 -0.308 0.000 1.144 76 L HN 0.230 nan 8.230 nan 0.000 0.496 77 P HA 0.093 nan 4.420 nan 0.000 0.274 77 P C -1.091 176.237 177.300 0.047 0.000 1.237 77 P CA -0.472 62.614 63.100 -0.023 0.000 0.793 77 P CB 0.541 32.258 31.700 0.027 0.000 0.977 78 K N 0.658 121.081 120.400 0.039 0.000 2.355 78 K HA 0.025 4.346 4.320 0.002 0.000 0.270 78 K C -0.050 176.591 176.600 0.069 0.000 1.003 78 K CA 0.398 56.639 56.287 -0.077 0.000 0.957 78 K CB -0.208 32.119 32.500 -0.288 0.000 0.939 78 K HN 0.477 nan 8.250 nan 0.000 0.482 79 Y N -2.197 118.231 120.300 0.213 0.000 4.174 79 Y HA -0.370 4.181 4.550 0.002 0.000 0.342 79 Y C 0.281 176.483 175.900 0.503 0.000 1.178 79 Y CA 0.719 58.979 58.100 0.266 0.000 1.879 79 Y CB -1.806 36.715 38.460 0.101 0.000 0.896 79 Y HN 0.712 nan 8.280 nan 0.000 0.429 80 N N 2.340 121.357 118.700 0.528 0.000 2.482 80 N HA 0.105 4.846 4.740 0.002 0.000 0.260 80 N C 0.072 175.813 175.510 0.385 0.000 1.236 80 N CA -0.390 52.917 53.050 0.428 0.000 0.938 80 N CB 0.381 38.989 38.487 0.202 0.000 1.128 80 N HN 0.111 nan 8.380 nan 0.000 0.448 81 E N 1.319 121.678 120.200 0.265 0.000 2.360 81 E HA 0.046 4.398 4.350 0.002 0.000 0.269 81 E C -1.032 175.806 176.600 0.398 0.000 1.022 81 E CA 0.211 56.767 56.400 0.261 0.000 0.887 81 E CB 0.679 30.365 29.700 -0.023 0.000 0.990 81 E HN 0.347 nan 8.360 nan 0.000 0.426 82 F N 1.812 122.007 119.950 0.408 0.000 2.469 82 F HA 0.368 4.896 4.527 0.002 0.000 0.332 82 F C -0.352 175.691 175.800 0.405 0.000 1.103 82 F CA -0.445 57.779 58.000 0.374 0.000 0.979 82 F CB 1.489 40.663 39.000 0.291 0.000 1.137 82 F HN 0.200 nan 8.300 nan 0.000 0.463 83 S N 4.988 120.059 115.700 -1.049 0.000 2.572 83 S HA 0.276 4.748 4.470 0.002 0.000 0.274 83 S C -0.225 173.686 174.600 -1.148 0.000 1.150 83 S CA -0.545 57.100 58.200 -0.925 0.000 0.944 83 S CB 1.615 64.542 63.200 -0.455 0.000 1.071 83 S HN 0.873 nan 8.310 nan 0.000 0.479 84 V N 5.287 124.596 119.914 -1.009 0.000 3.305 84 V HA 0.152 4.273 4.120 0.002 0.000 0.269 84 V C 0.735 176.569 176.094 -0.433 0.000 1.157 84 V CA 1.374 63.288 62.300 -0.643 0.000 1.157 84 V CB -0.926 30.651 31.823 -0.412 0.000 0.772 84 V HN 0.854 nan 8.190 nan 0.000 0.498 85 F N -0.329 119.456 119.950 -0.275 0.000 2.811 85 F HA 0.248 4.776 4.527 0.002 0.000 0.301 85 F C 1.120 176.559 175.800 -0.601 0.000 1.151 85 F CA -0.184 57.602 58.000 -0.356 0.000 1.412 85 F CB -0.247 38.459 39.000 -0.490 0.000 1.113 85 F HN 0.270 nan 8.300 nan 0.000 0.579 86 H N 0.213 119.125 119.070 -0.264 0.000 2.504 86 H HA 0.117 4.674 4.556 0.002 0.000 0.322 86 H C 0.407 175.634 175.328 -0.168 0.000 1.055 86 H CA -0.690 55.193 56.048 -0.276 0.000 1.231 86 H CB 1.307 30.790 29.762 -0.464 0.000 1.417 86 H HN -0.005 nan 8.280 nan 0.000 0.472 87 D N 2.988 123.354 120.400 -0.056 0.000 2.321 87 D HA -0.220 4.421 4.640 0.002 0.000 0.194 87 D C 1.791 178.067 176.300 -0.041 0.000 1.013 87 D CA 1.676 55.648 54.000 -0.048 0.000 0.863 87 D CB 0.250 41.019 40.800 -0.051 0.000 1.011 87 D HN 0.354 nan 8.370 nan 0.000 0.457 88 K N -0.196 120.192 120.400 -0.020 0.000 2.044 88 K HA -0.112 4.209 4.320 0.002 0.000 0.210 88 K C 2.086 178.696 176.600 0.017 0.000 1.049 88 K CA 0.579 56.861 56.287 -0.009 0.000 0.927 88 K CB -0.711 31.793 32.500 0.008 0.000 0.713 88 K HN 0.061 nan 8.250 nan 0.000 0.443 89 L N 0.438 121.709 121.223 0.081 0.000 2.046 89 L HA -0.114 4.227 4.340 0.002 0.000 0.208 89 L C 2.367 179.318 176.870 0.134 0.000 1.077 89 L CA 1.679 56.609 54.840 0.150 0.000 0.747 89 L CB -0.609 41.505 42.059 0.092 0.000 0.896 89 L HN 0.171 nan 8.230 nan 0.000 0.432 90 R N -0.412 120.078 120.500 -0.018 0.000 2.066 90 R HA -0.147 4.194 4.340 0.002 0.000 0.232 90 R C 1.912 178.085 176.300 -0.211 0.000 1.131 90 R CA 1.522 57.553 56.100 -0.114 0.000 0.955 90 R CB -0.164 30.040 30.300 -0.160 0.000 0.851 90 R HN 0.311 nan 8.270 nan 0.000 0.432 91 D N 0.639 120.935 120.400 -0.173 0.000 2.123 91 D HA -0.175 4.466 4.640 0.002 0.000 0.196 91 D C 1.717 177.897 176.300 -0.200 0.000 0.992 91 D CA 1.486 55.374 54.000 -0.186 0.000 0.833 91 D CB -0.180 40.545 40.800 -0.125 0.000 0.954 91 D HN 0.461 nan 8.370 nan 0.000 0.455 92 E N 0.615 120.656 120.200 -0.264 0.000 2.106 92 E HA -0.092 4.259 4.350 0.002 0.000 0.192 92 E C 2.100 178.612 176.600 -0.148 0.000 0.984 92 E CA 0.927 57.031 56.400 -0.494 0.000 0.806 92 E CB -0.040 29.062 29.700 -0.998 0.000 0.750 92 E HN 0.199 nan 8.360 nan 0.000 0.458 93 A N 1.271 124.048 122.820 -0.072 0.000 1.930 93 A HA -0.127 4.194 4.320 0.002 0.000 0.217 93 A C 2.167 179.714 177.584 -0.063 0.000 1.175 93 A CA 0.867 52.919 52.037 0.025 0.000 0.627 93 A CB -0.459 18.634 19.000 0.156 0.000 0.815 93 A HN 0.117 nan 8.150 nan 0.000 0.443 94 I N -0.335 120.051 120.570 -0.308 0.000 2.252 94 I HA -0.249 3.922 4.170 0.002 0.000 0.245 94 I C 2.976 178.945 176.117 -0.248 0.000 1.102 94 I CA 0.964 61.934 61.300 -0.550 0.000 1.385 94 I CB -0.382 37.120 38.000 -0.830 0.000 1.064 94 I HN 0.363 nan 8.210 nan 0.000 0.414 95 A N 0.872 123.678 122.820 -0.022 0.000 1.908 95 A HA -0.206 4.115 4.320 0.002 0.000 0.218 95 A C 2.385 180.157 177.584 0.312 0.000 1.181 95 A CA 1.390 53.574 52.037 0.245 0.000 0.627 95 A CB -0.869 18.335 19.000 0.339 0.000 0.818 95 A HN 0.421 nan 8.150 nan 0.000 0.445 96 L N -1.701 119.689 121.223 0.278 0.000 2.083 96 L HA -0.153 4.188 4.340 0.002 0.000 0.209 96 L C 2.438 179.053 176.870 -0.426 0.000 1.083 96 L CA 1.904 56.724 54.840 -0.033 0.000 0.752 96 L CB -0.338 41.748 42.059 0.045 0.000 0.899 96 L HN 0.554 nan 8.230 nan 0.000 0.433 97 F N 0.027 119.798 119.950 -0.299 0.000 2.186 97 F HA -0.232 4.296 4.527 0.002 0.000 0.299 97 F C 2.253 177.984 175.800 -0.115 0.000 1.090 97 F CA 1.712 59.568 58.000 -0.240 0.000 1.307 97 F CB -0.425 38.418 39.000 -0.262 0.000 1.019 97 F HN 0.167 nan 8.300 nan 0.000 0.489 98 H N -0.670 118.225 119.070 -0.292 0.000 2.357 98 H HA -0.128 4.429 4.556 0.002 0.000 0.301 98 H C 2.436 177.686 175.328 -0.131 0.000 1.082 98 H CA 0.999 56.900 56.048 -0.246 0.000 1.342 98 H CB -0.163 29.700 29.762 0.169 0.000 1.389 98 H HN 0.252 nan 8.280 nan 0.000 0.511 99 L N 0.476 121.658 121.223 -0.068 0.000 2.042 99 L HA -0.226 4.115 4.340 0.002 0.000 0.210 99 L C 1.658 178.611 176.870 0.139 0.000 1.076 99 L CA 1.749 56.460 54.840 -0.214 0.000 0.749 99 L CB -0.498 41.135 42.059 -0.710 0.000 0.893 99 L HN 0.255 nan 8.230 nan 0.000 0.432 100 F N -1.056 118.875 119.950 -0.033 0.000 2.163 100 F HA -0.185 4.343 4.527 0.002 0.000 0.297 100 F C 2.584 178.319 175.800 -0.108 0.000 1.094 100 F CA 0.578 58.632 58.000 0.090 0.000 1.290 100 F CB -1.526 37.575 39.000 0.169 0.000 1.017 100 F HN 0.118 nan 8.300 nan 0.000 0.483 101 Y N -1.171 118.892 120.300 -0.396 0.000 2.293 101 Y HA -0.255 4.296 4.550 0.002 0.000 0.291 101 Y C 1.570 177.245 175.900 -0.376 0.000 1.137 101 Y CA 1.364 59.082 58.100 -0.637 0.000 1.202 101 Y CB -0.288 37.416 38.460 -1.259 0.000 0.990 101 Y HN -0.053 nan 8.280 nan 0.000 0.537 102 Y N 0.193 120.496 120.300 0.006 0.000 2.461 102 Y HA 0.367 4.918 4.550 0.002 0.000 0.277 102 Y C 1.003 177.001 175.900 0.163 0.000 1.182 102 Y CA -0.446 57.665 58.100 0.019 0.000 1.276 102 Y CB -0.796 37.713 38.460 0.081 0.000 1.087 102 Y HN 0.054 nan 8.280 nan 0.000 0.519 103 A N 1.419 124.410 122.820 0.285 0.000 2.488 103 A HA 0.095 4.416 4.320 0.002 0.000 0.249 103 A C 1.677 179.239 177.584 -0.037 0.000 1.083 103 A CA -0.272 51.805 52.037 0.067 0.000 0.768 103 A CB 0.303 19.369 19.000 0.111 0.000 1.017 103 A HN 0.615 nan 8.150 nan 0.000 0.496 104 K N 1.300 121.628 120.400 -0.120 0.000 2.209 104 K HA -0.114 4.207 4.320 0.002 0.000 0.204 104 K C -0.316 176.262 176.600 -0.038 0.000 1.048 104 K CA 1.577 57.825 56.287 -0.066 0.000 0.940 104 K CB -0.199 32.254 32.500 -0.077 0.000 0.729 104 K HN 0.785 nan 8.250 nan 0.000 0.451 105 D N -2.023 118.360 120.400 -0.028 0.000 2.609 105 D HA 0.030 4.671 4.640 0.002 0.000 0.239 105 D C 0.198 176.561 176.300 0.105 0.000 1.229 105 D CA -0.936 53.089 54.000 0.043 0.000 0.808 105 D CB 0.068 40.895 40.800 0.045 0.000 1.448 105 D HN -0.089 nan 8.370 nan 0.000 0.433 106 F N 0.808 120.792 119.950 0.057 0.000 2.111 106 F HA -0.291 4.238 4.527 0.002 0.000 0.300 106 F C 1.664 177.552 175.800 0.147 0.000 1.088 106 F CA 2.358 60.446 58.000 0.148 0.000 1.243 106 F CB 0.067 39.117 39.000 0.083 0.000 0.996 106 F HN 0.495 nan 8.300 nan 0.000 0.483 107 D N -0.905 119.615 120.400 0.199 0.000 2.144 107 D HA -0.157 4.485 4.640 0.002 0.000 0.199 107 D C 2.017 178.280 176.300 -0.061 0.000 0.984 107 D CA 1.841 55.895 54.000 0.090 0.000 0.834 107 D CB 0.031 40.893 40.800 0.103 0.000 0.955 107 D HN 0.333 nan 8.370 nan 0.000 0.465 108 T N 0.286 114.792 114.554 -0.080 0.000 2.857 108 T HA -0.118 4.233 4.350 0.002 0.000 0.266 108 T C 1.561 176.163 174.700 -0.163 0.000 1.048 108 T CA 0.508 62.508 62.100 -0.165 0.000 1.139 108 T CB -0.360 68.356 68.868 -0.254 0.000 0.874 108 T HN 0.180 nan 8.240 nan 0.000 0.455 109 F N 1.609 121.397 119.950 -0.271 0.000 2.075 109 F HA -0.138 4.390 4.527 0.002 0.000 0.297 109 F C 2.108 177.649 175.800 -0.431 0.000 1.113 109 F CA 0.813 58.627 58.000 -0.310 0.000 1.218 109 F CB -1.054 37.721 39.000 -0.376 0.000 0.984 109 F HN 0.188 nan 8.300 nan 0.000 0.472 110 Y N 1.604 121.271 120.300 -1.055 0.000 2.114 110 Y HA -0.253 4.298 4.550 0.002 0.000 0.282 110 Y C 2.421 177.892 175.900 -0.715 0.000 1.165 110 Y CA 2.551 60.027 58.100 -1.041 0.000 1.148 110 Y CB -0.669 37.368 38.460 -0.704 0.000 0.972 110 Y HN 0.116 nan 8.280 nan 0.000 0.504 111 K N -0.508 119.498 120.400 -0.656 0.000 2.097 111 K HA -0.136 4.185 4.320 0.002 0.000 0.206 111 K C 2.251 178.339 176.600 -0.854 0.000 1.049 111 K CA 1.488 57.259 56.287 -0.859 0.000 0.933 111 K CB -0.221 31.658 32.500 -1.036 0.000 0.717 111 K HN 0.247 nan 8.250 nan 0.000 0.442 112 S N 0.955 116.312 115.700 -0.572 0.000 2.368 112 S HA -0.133 4.338 4.470 0.002 0.000 0.224 112 S C 2.146 176.753 174.600 0.011 0.000 1.029 112 S CA 1.193 59.350 58.200 -0.072 0.000 0.988 112 S CB -0.188 63.178 63.200 0.277 0.000 0.838 112 S HN 0.428 nan 8.310 nan 0.000 0.462 113 A N 1.734 124.211 122.820 -0.571 0.000 1.877 113 A HA 0.099 4.420 4.320 0.002 0.000 0.216 113 A C 2.371 179.588 177.584 -0.611 0.000 1.186 113 A CA 1.720 53.318 52.037 -0.732 0.000 0.620 113 A CB -1.144 17.128 19.000 -1.214 0.000 0.822 113 A HN 0.516 nan 8.150 nan 0.000 0.443 114 A N -1.300 121.066 122.820 -0.755 0.000 1.972 114 A HA -0.044 4.277 4.320 0.002 0.000 0.219 114 A C 2.028 179.400 177.584 -0.353 0.000 1.169 114 A CA 1.594 53.240 52.037 -0.651 0.000 0.635 114 A CB -0.691 17.899 19.000 -0.683 0.000 0.810 114 A HN 0.716 nan 8.150 nan 0.000 0.446 115 F N 0.988 120.763 119.950 -0.291 0.000 2.102 115 F HA -0.040 4.488 4.527 0.002 0.000 0.298 115 F C 2.496 178.300 175.800 0.007 0.000 1.105 115 F CA 1.291 59.277 58.000 -0.024 0.000 1.239 115 F CB -0.506 38.541 39.000 0.078 0.000 0.991 115 F HN 0.244 nan 8.300 nan 0.000 0.474 116 A N 0.623 123.470 122.820 0.045 0.000 1.877 116 A HA -0.232 4.089 4.320 0.002 0.000 0.216 116 A C 2.200 179.565 177.584 -0.366 0.000 1.186 116 A CA 1.922 53.974 52.037 0.024 0.000 0.620 116 A CB -0.885 18.435 19.000 0.534 0.000 0.822 116 A HN 0.423 nan 8.150 nan 0.000 0.443 117 R N -0.072 119.888 120.500 -0.899 0.000 2.127 117 R HA -0.095 4.247 4.340 0.002 0.000 0.238 117 R C 1.642 177.572 176.300 -0.615 0.000 1.134 117 R CA 2.230 57.592 56.100 -1.230 0.000 0.975 117 R CB -1.000 28.352 30.300 -1.580 0.000 0.865 117 R HN 0.296 nan 8.270 nan 0.000 0.447 118 V N -0.169 119.433 119.914 -0.520 0.000 2.446 118 V HA -0.105 4.016 4.120 0.002 0.000 0.244 118 V C 1.954 177.693 176.094 -0.592 0.000 1.039 118 V CA 1.726 63.719 62.300 -0.512 0.000 1.045 118 V CB -0.527 30.852 31.823 -0.740 0.000 0.681 118 V HN 0.440 nan 8.190 nan 0.000 0.459 119 H N -0.983 117.821 119.070 -0.443 0.000 2.547 119 H HA 0.339 4.896 4.556 0.002 0.000 0.272 119 H C 0.773 176.007 175.328 -0.156 0.000 0.971 119 H CA 0.280 56.121 56.048 -0.345 0.000 1.245 119 H CB 0.577 29.967 29.762 -0.620 0.000 1.440 119 H HN 0.296 nan 8.280 nan 0.000 0.540 120 L N 0.913 122.119 121.223 -0.028 0.000 2.365 120 L HA 0.193 4.534 4.340 0.002 0.000 0.267 120 L C 1.050 177.959 176.870 0.066 0.000 1.033 120 L CA -0.879 54.015 54.840 0.090 0.000 0.802 120 L CB 1.035 43.214 42.059 0.201 0.000 1.267 120 L HN 0.112 nan 8.230 nan 0.000 0.457 121 N N 1.600 120.374 118.700 0.124 0.000 2.411 121 N HA -0.077 4.664 4.740 0.002 0.000 0.261 121 N C 0.924 176.524 175.510 0.149 0.000 1.248 121 N CA -0.197 52.917 53.050 0.107 0.000 0.885 121 N CB 1.116 39.691 38.487 0.147 0.000 1.062 121 N HN 0.641 nan 8.380 nan 0.000 0.471 122 Q N 4.284 124.153 119.800 0.116 0.000 2.047 122 Q HA -0.204 4.137 4.340 0.002 0.000 0.211 122 Q C 1.782 177.966 176.000 0.306 0.000 1.005 122 Q CA 2.266 58.183 55.803 0.190 0.000 0.866 122 Q CB -1.355 27.468 28.738 0.142 0.000 0.938 122 Q HN 0.780 nan 8.270 nan 0.000 0.414 123 G N 0.855 109.860 108.800 0.342 0.000 2.440 123 G HA2 -0.353 3.609 3.960 0.002 0.000 0.218 123 G HA3 -0.353 3.609 3.960 0.002 0.000 0.218 123 G C 1.469 176.467 174.900 0.164 0.000 1.154 123 G CA 1.005 46.373 45.100 0.447 0.000 0.767 123 G HN 0.540 nan 8.290 nan 0.000 0.552 124 Q N -0.758 118.979 119.800 -0.105 0.000 2.084 124 Q HA -0.122 4.219 4.340 0.002 0.000 0.202 124 Q C 2.174 178.122 176.000 -0.086 0.000 0.978 124 Q CA 1.514 56.971 55.803 -0.578 0.000 0.844 124 Q CB -0.268 28.326 28.738 -0.239 0.000 0.898 124 Q HN 0.563 nan 8.270 nan 0.000 0.426 125 F N 0.405 120.377 119.950 0.036 0.000 2.084 125 F HA -0.175 4.353 4.527 0.002 0.000 0.296 125 F C 1.642 177.577 175.800 0.226 0.000 1.111 125 F CA 1.236 59.306 58.000 0.118 0.000 1.224 125 F CB -0.223 38.783 39.000 0.010 0.000 0.991 125 F HN 0.025 nan 8.300 nan 0.000 0.471 126 L N -0.596 120.501 121.223 -0.210 0.000 2.081 126 L HA -0.262 4.080 4.340 0.002 0.000 0.212 126 L C 2.410 179.483 176.870 0.339 0.000 1.080 126 L CA 1.751 56.546 54.840 -0.075 0.000 0.754 126 L CB -1.057 41.195 42.059 0.322 0.000 0.893 126 L HN 0.331 nan 8.230 nan 0.000 0.433 127 Y N 0.677 121.144 120.300 0.277 0.000 2.089 127 Y HA -0.302 4.249 4.550 0.002 0.000 0.282 127 Y C 2.508 178.574 175.900 0.276 0.000 1.139 127 Y CA 1.556 59.878 58.100 0.369 0.000 1.123 127 Y CB -0.417 38.164 38.460 0.202 0.000 0.980 127 Y HN 0.086 nan 8.280 nan 0.000 0.493 128 A N -0.857 122.063 122.820 0.168 0.000 1.969 128 A HA -0.203 4.119 4.320 0.002 0.000 0.218 128 A C 2.114 179.922 177.584 0.373 0.000 1.169 128 A CA 1.537 53.685 52.037 0.184 0.000 0.635 128 A CB -1.451 17.657 19.000 0.180 0.000 0.810 128 A HN 0.700 nan 8.150 nan 0.000 0.445 129 Y N -0.953 119.384 120.300 0.062 0.000 2.089 129 Y HA -0.254 4.297 4.550 0.002 0.000 0.282 129 Y C 2.165 178.092 175.900 0.045 0.000 1.139 129 Y CA 1.578 59.627 58.100 -0.084 0.000 1.123 129 Y CB -1.001 36.949 38.460 -0.851 0.000 0.980 129 Y HN 0.415 nan 8.280 nan 0.000 0.493 130 Y N -0.150 120.195 120.300 0.075 0.000 2.102 130 Y HA -0.345 4.206 4.550 0.002 0.000 0.280 130 Y C 2.516 178.345 175.900 -0.119 0.000 1.178 130 Y CA 2.147 60.276 58.100 0.048 0.000 1.146 130 Y CB -0.407 38.174 38.460 0.203 0.000 0.968 130 Y HN 0.108 nan 8.280 nan 0.000 0.504 131 I N -1.005 119.559 120.570 -0.009 0.000 2.252 131 I HA -0.301 3.870 4.170 0.002 0.000 0.245 131 I C 2.614 178.736 176.117 0.009 0.000 1.102 131 I CA 0.954 62.145 61.300 -0.182 0.000 1.385 131 I CB -0.700 37.000 38.000 -0.500 0.000 1.064 131 I HN 0.186 nan 8.210 nan 0.000 0.414 132 A N 1.357 124.305 122.820 0.212 0.000 1.908 132 A HA -0.193 4.128 4.320 0.002 0.000 0.218 132 A C 2.293 179.813 177.584 -0.107 0.000 1.181 132 A CA 1.601 53.735 52.037 0.162 0.000 0.627 132 A CB -0.921 18.200 19.000 0.202 0.000 0.818 132 A HN 0.408 nan 8.150 nan 0.000 0.445 133 I N -0.154 120.320 120.570 -0.160 0.000 2.361 133 I HA -0.228 3.943 4.170 0.002 0.000 0.251 133 I C 1.969 178.009 176.117 -0.129 0.000 1.133 133 I CA 0.817 61.995 61.300 -0.203 0.000 1.413 133 I CB -0.236 37.618 38.000 -0.243 0.000 1.073 133 I HN 0.275 nan 8.210 nan 0.000 0.424 134 I N 0.129 120.639 120.570 -0.100 0.000 2.584 134 I HA -0.147 4.024 4.170 0.002 0.000 0.255 134 I C 2.434 178.607 176.117 0.094 0.000 1.145 134 I CA 1.191 62.451 61.300 -0.066 0.000 1.462 134 I CB -0.916 37.007 38.000 -0.128 0.000 1.102 134 I HN 0.310 nan 8.210 nan 0.000 0.433 135 Q N 0.747 120.613 119.800 0.109 0.000 2.165 135 Q HA 0.066 4.407 4.340 0.002 0.000 0.197 135 Q C 0.984 177.167 176.000 0.305 0.000 0.952 135 Q CA 0.428 56.373 55.803 0.238 0.000 0.848 135 Q CB -0.291 28.531 28.738 0.140 0.000 0.931 135 Q HN 0.426 nan 8.270 nan 0.000 0.470 136 R N 1.829 122.437 120.500 0.179 0.000 2.538 136 R HA -0.013 4.328 4.340 0.002 0.000 0.282 136 R C 1.301 177.638 176.300 0.061 0.000 1.009 136 R CA 0.244 56.370 56.100 0.044 0.000 1.063 136 R CB 0.397 30.570 30.300 -0.211 0.000 0.945 136 R HN 0.146 nan 8.270 nan 0.000 0.414 137 K N 1.667 122.089 120.400 0.037 0.000 2.097 137 K HA -0.151 4.170 4.320 0.002 0.000 0.205 137 K C 1.162 177.815 176.600 0.089 0.000 1.050 137 K CA 1.750 58.069 56.287 0.053 0.000 0.938 137 K CB 0.026 32.526 32.500 0.001 0.000 0.718 137 K HN 0.645 nan 8.250 nan 0.000 0.442 138 D N 0.036 120.471 120.400 0.058 0.000 2.371 138 D HA -0.101 4.540 4.640 0.002 0.000 0.221 138 D C 1.183 177.551 176.300 0.113 0.000 0.986 138 D CA 1.019 55.075 54.000 0.093 0.000 0.899 138 D CB -0.273 40.591 40.800 0.106 0.000 0.902 138 D HN 0.190 nan 8.370 nan 0.000 0.530 139 T N -4.346 110.265 114.554 0.095 0.000 3.085 139 T HA 0.087 4.438 4.350 0.002 0.000 0.264 139 T C 0.298 175.042 174.700 0.074 0.000 1.019 139 T CA -0.824 61.311 62.100 0.059 0.000 0.910 139 T CB -0.911 67.956 68.868 -0.001 0.000 1.059 139 T HN 0.110 nan 8.240 nan 0.000 0.542 140 Y N 2.627 122.951 120.300 0.040 0.000 2.721 140 Y HA 0.355 4.906 4.550 0.002 0.000 0.329 140 Y C 1.467 177.447 175.900 0.133 0.000 1.211 140 Y CA 0.969 59.110 58.100 0.067 0.000 1.512 140 Y CB -0.224 38.277 38.460 0.067 0.000 1.249 140 Y HN 0.439 nan 8.280 nan 0.000 0.549 141 G N 5.273 113.715 108.800 -0.597 0.000 2.217 141 G HA2 -0.269 3.693 3.960 0.002 0.000 0.246 141 G HA3 -0.269 3.693 3.960 0.002 0.000 0.246 141 G C 0.018 174.955 174.900 0.061 0.000 0.990 141 G CA -0.059 44.820 45.100 -0.368 0.000 0.627 141 G HN 0.616 nan 8.290 nan 0.000 0.522 142 I N 1.810 122.378 120.570 -0.003 0.000 2.710 142 I HA 0.155 4.326 4.170 0.002 0.000 0.286 142 I C 1.318 177.368 176.117 -0.112 0.000 1.181 142 I CA -0.114 61.112 61.300 -0.123 0.000 1.430 142 I CB 0.929 38.792 38.000 -0.228 0.000 1.367 142 I HN -0.042 nan 8.210 nan 0.000 0.577 143 V N 7.870 127.744 119.914 -0.067 0.000 2.488 143 V HA 0.166 4.287 4.120 0.002 0.000 0.277 143 V C 0.520 176.511 176.094 -0.172 0.000 1.046 143 V CA -0.514 61.720 62.300 -0.110 0.000 0.986 143 V CB 1.045 32.835 31.823 -0.054 0.000 0.989 143 V HN 0.399 nan 8.190 nan 0.000 0.475 144 L N 8.008 129.105 121.223 -0.210 0.000 2.334 144 L HA 0.458 4.799 4.340 0.002 0.000 0.277 144 L C -1.886 174.874 176.870 -0.184 0.000 1.075 144 L CA -1.668 53.048 54.840 -0.207 0.000 0.804 144 L CB 1.494 43.511 42.059 -0.069 0.000 1.174 144 L HN 0.460 nan 8.230 nan 0.000 0.438 145 P HA 0.117 nan 4.420 nan 0.000 0.274 145 P C -0.750 176.451 177.300 -0.164 0.000 1.237 145 P CA -0.511 62.384 63.100 -0.341 0.000 0.793 145 P CB 0.883 32.224 31.700 -0.600 0.000 0.977 146 A N 4.019 126.699 122.820 -0.233 0.000 2.540 146 A HA 0.187 4.508 4.320 0.002 0.000 0.239 146 A C -1.067 176.175 177.584 -0.570 0.000 1.061 146 A CA -0.801 50.945 52.037 -0.485 0.000 0.758 146 A CB -0.939 17.434 19.000 -1.044 0.000 0.991 146 A HN 0.439 nan 8.150 nan 0.000 0.502 147 P HA -0.182 nan 4.420 nan 0.000 0.218 147 P C 0.835 177.736 177.300 -0.664 0.000 1.149 147 P CA 1.732 64.541 63.100 -0.485 0.000 0.817 147 P CB -0.237 31.095 31.700 -0.613 0.000 0.785 148 Y N -0.428 119.228 120.300 -1.074 0.000 2.574 148 Y HA 0.090 4.641 4.550 0.002 0.000 0.294 148 Y C 2.228 177.893 175.900 -0.392 0.000 1.142 148 Y CA 0.366 57.700 58.100 -1.276 0.000 1.314 148 Y CB -1.394 36.110 38.460 -1.593 0.000 0.991 148 Y HN 0.022 nan 8.280 nan 0.000 0.555 149 E N 0.462 120.508 120.200 -0.255 0.000 2.250 149 E HA -0.038 4.313 4.350 0.002 0.000 0.192 149 E C 1.627 178.226 176.600 -0.002 0.000 0.986 149 E CA 0.462 56.885 56.400 0.040 0.000 0.849 149 E CB 0.211 29.899 29.700 -0.020 0.000 0.797 149 E HN 0.432 nan 8.360 nan 0.000 0.482 150 I N 0.164 120.661 120.570 -0.122 0.000 3.035 150 I HA -0.079 4.092 4.170 0.002 0.000 0.271 150 I C 0.339 176.296 176.117 -0.267 0.000 1.190 150 I CA 0.816 61.995 61.300 -0.203 0.000 1.472 150 I CB -0.251 37.572 38.000 -0.295 0.000 1.116 150 I HN 0.087 nan 8.210 nan 0.000 0.443 151 Y N 1.873 122.235 120.300 0.102 0.000 2.480 151 Y HA 0.316 4.867 4.550 0.002 0.000 0.356 151 Y C -1.432 174.625 175.900 0.260 0.000 0.922 151 Y CA -2.127 56.079 58.100 0.177 0.000 1.146 151 Y CB -0.164 38.413 38.460 0.195 0.000 1.185 151 Y HN 0.010 nan 8.280 nan 0.000 0.624 152 P HA -0.251 nan 4.420 nan 0.000 0.217 152 P C 1.100 178.566 177.300 0.276 0.000 1.148 152 P CA 1.736 65.050 63.100 0.356 0.000 0.828 152 P CB 0.438 32.308 31.700 0.283 0.000 0.783 153 E N 0.343 120.651 120.200 0.180 0.000 2.515 153 E HA -0.087 4.264 4.350 0.002 0.000 0.201 153 E C 1.575 178.159 176.600 -0.028 0.000 1.071 153 E CA 0.571 56.999 56.400 0.047 0.000 0.880 153 E CB -0.931 28.773 29.700 0.007 0.000 0.828 153 E HN 0.364 nan 8.360 nan 0.000 0.540 154 L N -1.046 120.214 121.223 0.062 0.000 2.858 154 L HA 0.290 4.631 4.340 0.002 0.000 0.251 154 L C 0.687 177.391 176.870 -0.278 0.000 1.149 154 L CA -0.092 54.647 54.840 -0.169 0.000 0.955 154 L CB 0.205 42.116 42.059 -0.247 0.000 1.289 154 L HN -0.069 nan 8.230 nan 0.000 0.542 155 F N -1.154 118.799 119.950 0.005 0.000 2.746 155 F HA 0.316 4.845 4.527 0.002 0.000 0.320 155 F C 0.125 175.978 175.800 0.088 0.000 1.097 155 F CA -0.142 57.886 58.000 0.046 0.000 1.195 155 F CB 1.298 40.337 39.000 0.066 0.000 1.056 155 F HN -0.258 nan 8.300 nan 0.000 0.562 156 V N 0.879 120.903 119.914 0.183 0.000 2.808 156 V HA 0.403 4.524 4.120 0.002 0.000 0.308 156 V C -0.748 175.326 176.094 -0.033 0.000 1.099 156 V CA -0.899 61.470 62.300 0.116 0.000 0.920 156 V CB 1.589 33.506 31.823 0.157 0.000 1.014 156 V HN -0.003 nan 8.190 nan 0.000 0.425 157 N N 4.189 122.856 118.700 -0.054 0.000 2.344 157 N HA 0.113 4.855 4.740 0.002 0.000 0.236 157 N C 1.405 176.788 175.510 -0.211 0.000 1.279 157 N CA 0.630 53.603 53.050 -0.129 0.000 0.882 157 N CB 0.724 39.161 38.487 -0.084 0.000 1.110 157 N HN 0.791 nan 8.380 nan 0.000 0.436 158 I N -1.610 118.775 120.570 -0.310 0.000 2.454 158 I HA -0.210 3.961 4.170 0.002 0.000 0.254 158 I C 1.726 177.513 176.117 -0.550 0.000 1.156 158 I CA 1.215 62.204 61.300 -0.518 0.000 1.433 158 I CB -0.372 37.192 38.000 -0.726 0.000 1.082 158 I HN 0.479 nan 8.210 nan 0.000 0.432 159 D N 1.538 121.745 120.400 -0.323 0.000 2.149 159 D HA -0.292 4.349 4.640 0.002 0.000 0.198 159 D C 2.101 178.335 176.300 -0.110 0.000 0.990 159 D CA 2.232 56.121 54.000 -0.184 0.000 0.839 159 D CB -0.535 40.218 40.800 -0.077 0.000 0.948 159 D HN 0.534 nan 8.370 nan 0.000 0.460 160 T N -1.112 113.367 114.554 -0.125 0.000 2.978 160 T HA -0.058 4.293 4.350 0.002 0.000 0.262 160 T C 2.071 176.621 174.700 -0.251 0.000 1.063 160 T CA 1.711 63.746 62.100 -0.108 0.000 1.140 160 T CB -0.490 68.339 68.868 -0.065 0.000 0.886 160 T HN 0.054 nan 8.240 nan 0.000 0.470 161 T N 1.007 115.375 114.554 -0.308 0.000 2.746 161 T HA -0.043 4.308 4.350 0.002 0.000 0.267 161 T C 1.445 175.814 174.700 -0.553 0.000 1.039 161 T CA 1.292 63.109 62.100 -0.471 0.000 1.142 161 T CB -0.489 68.091 68.868 -0.480 0.000 0.866 161 T HN 0.409 nan 8.240 nan 0.000 0.444 162 Y N 1.589 121.598 120.300 -0.485 0.000 2.293 162 Y HA 0.046 4.597 4.550 0.002 0.000 0.291 162 Y C 2.292 178.104 175.900 -0.147 0.000 1.137 162 Y CA 0.159 58.079 58.100 -0.300 0.000 1.202 162 Y CB -0.465 37.923 38.460 -0.119 0.000 0.990 162 Y HN 0.237 nan 8.280 nan 0.000 0.537 163 K N -0.609 119.798 120.400 0.012 0.000 2.057 163 K HA -0.150 4.171 4.320 0.002 0.000 0.206 163 K C 2.126 178.721 176.600 -0.008 0.000 1.050 163 K CA 1.409 57.735 56.287 0.064 0.000 0.935 163 K CB -0.200 32.400 32.500 0.168 0.000 0.715 163 K HN 0.256 nan 8.250 nan 0.000 0.439 164 M N -0.226 119.177 119.600 -0.328 0.000 2.132 164 M HA -0.126 4.355 4.480 0.002 0.000 0.263 164 M C 1.738 178.082 176.300 0.074 0.000 1.065 164 M CA 1.364 56.458 55.300 -0.344 0.000 1.122 164 M CB -0.248 32.052 32.600 -0.499 0.000 1.365 164 M HN 0.036 nan 8.290 nan 0.000 0.411 165 F N 0.465 120.393 119.950 -0.037 0.000 2.126 165 F HA -0.168 4.361 4.527 0.002 0.000 0.299 165 F C 2.614 178.397 175.800 -0.029 0.000 1.096 165 F CA 1.328 59.323 58.000 -0.008 0.000 1.255 165 F CB -1.196 37.796 39.000 -0.013 0.000 0.997 165 F HN 0.176 nan 8.300 nan 0.000 0.479 166 R N -0.031 120.575 120.500 0.178 0.000 2.081 166 R HA -0.139 4.203 4.340 0.002 0.000 0.235 166 R C 2.067 178.401 176.300 0.056 0.000 1.131 166 R CA 1.959 58.110 56.100 0.084 0.000 0.960 166 R CB -0.440 29.899 30.300 0.066 0.000 0.856 166 R HN 0.208 nan 8.270 nan 0.000 0.436 167 T N 0.823 115.415 114.554 0.064 0.000 2.746 167 T HA -0.148 4.203 4.350 0.002 0.000 0.267 167 T C 1.689 176.350 174.700 -0.064 0.000 1.039 167 T CA 1.616 63.704 62.100 -0.020 0.000 1.142 167 T CB -0.140 68.708 68.868 -0.033 0.000 0.866 167 T HN 0.127 nan 8.240 nan 0.000 0.444 168 K N 0.978 121.374 120.400 -0.005 0.000 2.148 168 K HA 0.180 4.502 4.320 0.002 0.000 0.204 168 K C 2.123 178.721 176.600 -0.003 0.000 1.050 168 K CA 1.133 57.420 56.287 0.001 0.000 0.942 168 K CB -0.336 32.202 32.500 0.063 0.000 0.724 168 K HN 0.326 nan 8.250 nan 0.000 0.446 169 M N -0.075 119.525 119.600 -0.000 0.000 2.319 169 M HA -0.111 4.370 4.480 0.002 0.000 0.265 169 M C 1.644 177.933 176.300 -0.017 0.000 1.068 169 M CA 1.414 56.701 55.300 -0.021 0.000 1.118 169 M CB 0.011 32.593 32.600 -0.031 0.000 1.395 169 M HN 0.150 nan 8.290 nan 0.000 0.435 170 Q N -0.231 119.563 119.800 -0.010 0.000 2.424 170 Q HA 0.006 4.347 4.340 0.002 0.000 0.204 170 Q C 0.080 176.078 176.000 -0.003 0.000 0.933 170 Q CA -0.007 55.793 55.803 -0.004 0.000 0.929 170 Q CB 0.021 28.762 28.738 0.005 0.000 1.037 170 Q HN 0.457 nan 8.270 nan 0.000 0.511 171 N N 0.049 118.740 118.700 -0.016 0.000 2.756 171 N HA -0.175 4.566 4.740 0.002 0.000 0.248 171 N C -0.482 175.031 175.510 0.005 0.000 1.062 171 N CA 1.021 54.067 53.050 -0.007 0.000 0.696 171 N CB -1.081 37.412 38.487 0.010 0.000 0.946 171 N HN 0.499 nan 8.380 nan 0.000 0.548 172 G N -1.430 107.336 108.800 -0.056 0.000 2.343 172 G HA2 0.076 4.037 3.960 0.002 0.000 0.562 172 G HA3 0.076 4.037 3.960 0.002 0.000 0.562 172 G C -1.150 173.767 174.900 0.029 0.000 1.269 172 G CA -0.490 44.614 45.100 0.005 0.000 1.011 172 G HN 0.395 nan 8.290 nan 0.000 0.498 173 L N 0.700 122.019 121.223 0.160 0.000 2.289 173 L HA 0.489 4.830 4.340 0.002 0.000 0.285 173 L C 1.465 178.399 176.870 0.106 0.000 1.049 173 L CA -0.756 54.168 54.840 0.140 0.000 0.804 173 L CB 1.459 43.640 42.059 0.203 0.000 1.195 173 L HN 0.556 nan 8.230 nan 0.000 0.428 174 I N 1.703 122.322 120.570 0.082 0.000 2.716 174 I HA -0.037 4.134 4.170 0.002 0.000 0.259 174 I C 0.714 176.873 176.117 0.070 0.000 1.172 174 I CA 0.874 62.214 61.300 0.066 0.000 1.478 174 I CB 0.173 38.203 38.000 0.050 0.000 1.104 174 I HN 0.692 nan 8.210 nan 0.000 0.439 175 N N 0.287 119.038 118.700 0.085 0.000 2.710 175 N HA 0.168 4.909 4.740 0.002 0.000 0.244 175 N C -2.222 173.349 175.510 0.101 0.000 1.321 175 N CA -1.133 51.967 53.050 0.084 0.000 0.758 175 N CB 1.243 39.779 38.487 0.082 0.000 1.284 175 N HN -0.244 nan 8.380 nan 0.000 0.530 176 P HA -0.214 nan 4.420 nan 0.000 0.217 176 P C 0.871 178.224 177.300 0.088 0.000 1.151 176 P CA 1.138 64.297 63.100 0.098 0.000 0.849 176 P CB 0.316 32.062 31.700 0.077 0.000 0.787 177 E N -0.856 119.385 120.200 0.068 0.000 2.150 177 E HA -0.155 4.196 4.350 0.002 0.000 0.193 177 E C 1.903 178.533 176.600 0.049 0.000 0.985 177 E CA 1.047 57.477 56.400 0.049 0.000 0.814 177 E CB -0.332 29.388 29.700 0.034 0.000 0.752 177 E HN 0.125 nan 8.360 nan 0.000 0.466 178 A N 0.954 123.824 122.820 0.083 0.000 1.874 178 A HA 0.068 4.389 4.320 0.002 0.000 0.214 178 A C 2.367 180.044 177.584 0.155 0.000 1.189 178 A CA 1.200 53.301 52.037 0.107 0.000 0.615 178 A CB -0.597 18.506 19.000 0.171 0.000 0.830 178 A HN 0.344 nan 8.150 nan 0.000 0.443 179 A N -0.245 122.708 122.820 0.221 0.000 1.986 179 A HA -0.083 4.238 4.320 0.002 0.000 0.220 179 A C 2.166 179.884 177.584 0.223 0.000 1.171 179 A CA 1.896 54.113 52.037 0.300 0.000 0.640 179 A CB -0.970 18.161 19.000 0.218 0.000 0.811 179 A HN 0.403 nan 8.150 nan 0.000 0.451 180 V N 0.441 120.433 119.914 0.130 0.000 2.332 180 V HA -0.226 3.895 4.120 0.002 0.000 0.248 180 V C 2.291 178.426 176.094 0.068 0.000 1.055 180 V CA 2.077 64.462 62.300 0.142 0.000 1.038 180 V CB -0.703 31.172 31.823 0.087 0.000 0.651 180 V HN 0.547 nan 8.190 nan 0.000 0.450 181 E N -0.759 119.344 120.200 -0.162 0.000 2.463 181 E HA -0.164 4.187 4.350 0.002 0.000 0.201 181 E C 1.291 177.611 176.600 -0.466 0.000 1.045 181 E CA 1.089 57.259 56.400 -0.382 0.000 0.872 181 E CB -0.250 29.100 29.700 -0.583 0.000 0.797 181 E HN 0.851 nan 8.360 nan 0.000 0.538 182 Y N -1.005 119.388 120.300 0.154 0.000 2.584 182 Y HA 0.338 4.889 4.550 0.002 0.000 0.254 182 Y C 1.529 177.556 175.900 0.211 0.000 1.177 182 Y CA 0.014 58.210 58.100 0.161 0.000 1.216 182 Y CB 1.004 39.545 38.460 0.136 0.000 1.172 182 Y HN 0.076 nan 8.280 nan 0.000 0.529 183 G N 1.094 110.107 108.800 0.355 0.000 2.157 183 G HA2 -0.286 3.675 3.960 0.002 0.000 0.248 183 G HA3 -0.286 3.675 3.960 0.002 0.000 0.248 183 G C -0.047 174.995 174.900 0.238 0.000 0.979 183 G CA -0.066 45.227 45.100 0.322 0.000 0.650 183 G HN 0.323 nan 8.290 nan 0.000 0.529 184 I N 1.135 121.828 120.570 0.206 0.000 2.304 184 I HA 0.540 4.712 4.170 0.002 0.000 0.291 184 I C 0.146 176.289 176.117 0.044 0.000 1.018 184 I CA -0.942 60.365 61.300 0.012 0.000 1.260 184 I CB 1.534 39.585 38.000 0.085 0.000 1.390 184 I HN -0.104 nan 8.210 nan 0.000 0.475 185 V N 6.040 125.923 119.914 -0.052 0.000 2.876 185 V HA 0.394 4.516 4.120 0.002 0.000 0.312 185 V C -0.295 175.760 176.094 -0.064 0.000 1.085 185 V CA -0.955 61.355 62.300 0.016 0.000 0.945 185 V CB 2.499 34.382 31.823 0.101 0.000 1.017 185 V HN 0.606 nan 8.190 nan 0.000 0.428 186 K N 2.653 123.021 120.400 -0.052 0.000 2.265 186 K HA 0.578 4.899 4.320 0.002 0.000 0.267 186 K C -0.795 175.738 176.600 -0.110 0.000 0.994 186 K CA -0.388 55.804 56.287 -0.157 0.000 0.860 186 K CB 1.054 33.439 32.500 -0.191 0.000 1.099 186 K HN 0.788 nan 8.250 nan 0.000 0.448 187 E N 4.484 124.617 120.200 -0.113 0.000 2.218 187 E HA 0.139 4.491 4.350 0.002 0.000 0.263 187 E C -0.903 175.685 176.600 -0.019 0.000 0.879 187 E CA -0.736 55.627 56.400 -0.062 0.000 0.762 187 E CB 1.404 31.061 29.700 -0.072 0.000 1.166 187 E HN 0.715 nan 8.360 nan 0.000 0.415 188 D N 2.031 122.421 120.400 -0.017 0.000 3.798 188 D HA -0.262 4.379 4.640 0.002 0.000 0.150 188 D C 0.196 176.473 176.300 -0.040 0.000 0.953 188 D CA 1.244 55.254 54.000 0.017 0.000 1.089 188 D CB -0.553 40.321 40.800 0.125 0.000 0.535 188 D HN 0.509 nan 8.370 nan 0.000 0.563 189 N N 0.188 118.869 118.700 -0.030 0.000 2.238 189 N HA 0.197 4.939 4.740 0.002 0.000 0.222 189 N C -0.883 174.428 175.510 -0.331 0.000 1.133 189 N CA 0.038 52.976 53.050 -0.188 0.000 0.854 189 N CB 0.227 38.614 38.487 -0.167 0.000 1.041 189 N HN 0.305 nan 8.380 nan 0.000 0.510 190 H N -1.156 117.806 119.070 -0.180 0.000 2.533 190 H HA 0.358 4.915 4.556 0.002 0.000 0.343 190 H C -0.924 174.234 175.328 -0.283 0.000 1.160 190 H CA -0.391 55.578 56.048 -0.130 0.000 1.218 190 H CB 0.788 30.512 29.762 -0.063 0.000 1.566 190 H HN 0.034 nan 8.280 nan 0.000 0.522 191 Y N 0.914 121.266 120.300 0.087 0.000 2.342 191 Y HA 0.375 4.926 4.550 0.002 0.000 0.338 191 Y C -0.457 175.331 175.900 -0.186 0.000 0.965 191 Y CA -0.755 57.301 58.100 -0.072 0.000 1.159 191 Y CB 1.041 39.505 38.460 0.007 0.000 1.157 191 Y HN 0.287 nan 8.280 nan 0.000 0.486 192 V N 4.696 124.471 119.914 -0.230 0.000 2.481 192 V HA 0.286 4.407 4.120 0.002 0.000 0.286 192 V C -0.913 174.860 176.094 -0.534 0.000 1.042 192 V CA -1.062 61.054 62.300 -0.307 0.000 0.928 192 V CB 0.800 32.424 31.823 -0.333 0.000 0.986 192 V HN 0.534 nan 8.190 nan 0.000 0.462 193 Y N 3.301 123.483 120.300 -0.197 0.000 2.338 193 Y HA 0.493 5.044 4.550 0.002 0.000 0.328 193 Y C -0.363 175.389 175.900 -0.246 0.000 0.965 193 Y CA -0.750 57.271 58.100 -0.133 0.000 1.208 193 Y CB 1.123 39.536 38.460 -0.079 0.000 1.132 193 Y HN 0.535 nan 8.280 nan 0.000 0.469 194 Y N 1.795 122.036 120.300 -0.098 0.000 2.436 194 Y HA 0.242 4.793 4.550 0.002 0.000 0.336 194 Y C 0.694 176.584 175.900 -0.016 0.000 1.049 194 Y CA 0.273 58.291 58.100 -0.136 0.000 1.294 194 Y CB 1.072 39.344 38.460 -0.314 0.000 1.179 194 Y HN 0.450 nan 8.280 nan 0.000 0.520 195 S N 4.599 120.337 115.700 0.064 0.000 2.530 195 S HA 0.373 4.844 4.470 0.002 0.000 0.322 195 S C -0.582 173.971 174.600 -0.079 0.000 1.085 195 S CA -0.968 57.241 58.200 0.015 0.000 1.096 195 S CB 0.074 63.267 63.200 -0.012 0.000 0.988 195 S HN 0.629 nan 8.310 nan 0.000 0.466 196 N N 2.729 121.404 118.700 -0.043 0.000 2.513 196 N HA 0.293 5.034 4.740 0.002 0.000 0.274 196 N C -0.763 174.655 175.510 -0.154 0.000 1.189 196 N CA 0.014 53.013 53.050 -0.085 0.000 0.975 196 N CB 0.273 38.786 38.487 0.043 0.000 1.157 196 N HN 0.550 nan 8.380 nan 0.000 0.465 197 Y N 0.016 120.394 120.300 0.130 0.000 2.299 197 Y HA -0.026 4.525 4.550 0.002 0.000 0.335 197 Y C 2.073 178.015 175.900 0.069 0.000 1.287 197 Y CA -0.445 57.718 58.100 0.105 0.000 1.424 197 Y CB 0.404 38.944 38.460 0.133 0.000 1.326 197 Y HN 0.563 nan 8.280 nan 0.000 0.567 198 S N 0.258 116.083 115.700 0.208 0.000 2.440 198 S HA -0.223 4.248 4.470 0.002 0.000 0.238 198 S C 1.358 175.984 174.600 0.043 0.000 1.010 198 S CA 1.319 59.578 58.200 0.099 0.000 0.972 198 S CB -0.605 62.652 63.200 0.095 0.000 0.774 198 S HN 0.845 nan 8.310 nan 0.000 0.501 199 N N 2.461 121.185 118.700 0.040 0.000 2.573 199 N HA 0.061 4.802 4.740 0.002 0.000 0.187 199 N C 1.282 176.806 175.510 0.024 0.000 1.107 199 N CA 1.015 54.026 53.050 -0.064 0.000 0.918 199 N CB -0.504 37.937 38.487 -0.077 0.000 0.966 199 N HN 0.611 nan 8.380 nan 0.000 0.448 200 A N -0.360 122.462 122.820 0.005 0.000 2.275 200 A HA 0.295 4.617 4.320 0.002 0.000 0.212 200 A C 1.704 179.227 177.584 -0.101 0.000 1.201 200 A CA -0.022 51.913 52.037 -0.170 0.000 0.843 200 A CB -0.087 18.850 19.000 -0.104 0.000 0.873 200 A HN 0.266 nan 8.150 nan 0.000 0.492 201 I N -2.725 117.830 120.570 -0.025 0.000 4.471 201 I HA 0.231 4.402 4.170 0.002 0.000 0.326 201 I C 0.230 176.354 176.117 0.012 0.000 1.300 201 I CA 1.085 62.380 61.300 -0.010 0.000 1.237 201 I CB 1.301 39.300 38.000 -0.001 0.000 1.195 201 I HN 0.043 nan 8.210 nan 0.000 0.427 202 T N -0.773 113.802 114.554 0.035 0.000 3.172 202 T HA 0.294 4.645 4.350 0.002 0.000 0.320 202 T C -1.843 172.888 174.700 0.052 0.000 1.085 202 T CA -0.245 61.901 62.100 0.077 0.000 1.052 202 T CB 0.582 69.513 68.868 0.105 0.000 1.107 202 T HN -0.009 nan 8.240 nan 0.000 0.458 203 Y N 5.857 126.133 120.300 -0.040 0.000 2.525 203 Y HA 0.272 4.823 4.550 0.002 0.000 0.365 203 Y C 0.910 176.751 175.900 -0.099 0.000 0.929 203 Y CA -1.245 56.776 58.100 -0.132 0.000 1.196 203 Y CB -0.207 38.202 38.460 -0.086 0.000 1.232 203 Y HN 0.829 nan 8.280 nan 0.000 0.613 204 Y N -1.107 119.224 120.300 0.052 0.000 2.403 204 Y HA -0.020 4.531 4.550 0.002 0.000 0.291 204 Y C 0.122 176.100 175.900 0.129 0.000 1.143 204 Y CA 0.590 58.725 58.100 0.059 0.000 1.257 204 Y CB -0.453 37.996 38.460 -0.018 0.000 0.984 204 Y HN 0.325 nan 8.280 nan 0.000 0.550 205 N N -0.840 117.831 118.700 -0.048 0.000 2.927 205 N HA 0.081 4.822 4.740 0.002 0.000 0.248 205 N C 0.019 175.536 175.510 0.012 0.000 1.443 205 N CA -0.456 52.636 53.050 0.070 0.000 0.870 205 N CB 0.575 39.139 38.487 0.128 0.000 1.444 205 N HN 0.247 nan 8.380 nan 0.000 0.519 206 E N -0.733 119.529 120.200 0.103 0.000 2.267 206 E HA -0.211 4.140 4.350 0.002 0.000 0.197 206 E C 0.283 176.898 176.600 0.026 0.000 0.998 206 E CA 1.071 57.553 56.400 0.137 0.000 0.830 206 E CB -0.244 29.527 29.700 0.119 0.000 0.751 206 E HN 0.577 nan 8.360 nan 0.000 0.491 207 E N 0.888 121.066 120.200 -0.038 0.000 2.333 207 E HA -0.159 4.192 4.350 0.002 0.000 0.198 207 E C 1.921 178.428 176.600 -0.156 0.000 1.007 207 E CA 0.615 56.983 56.400 -0.054 0.000 0.845 207 E CB -0.087 29.619 29.700 0.009 0.000 0.766 207 E HN 0.397 nan 8.360 nan 0.000 0.507 208 Q N 0.441 120.014 119.800 -0.379 0.000 2.291 208 Q HA -0.158 4.183 4.340 0.002 0.000 0.206 208 Q C 2.092 177.846 176.000 -0.411 0.000 0.976 208 Q CA 0.964 56.406 55.803 -0.601 0.000 0.875 208 Q CB -0.344 27.641 28.738 -1.255 0.000 0.927 208 Q HN 0.242 nan 8.270 nan 0.000 0.450 209 R N 0.034 120.420 120.500 -0.190 0.000 2.193 209 R HA -0.116 4.225 4.340 0.002 0.000 0.229 209 R C 1.189 177.578 176.300 0.149 0.000 1.110 209 R CA 0.987 57.173 56.100 0.144 0.000 0.988 209 R CB -0.204 30.248 30.300 0.255 0.000 0.871 209 R HN 0.071 nan 8.270 nan 0.000 0.458 210 L N 0.371 121.579 121.223 -0.024 0.000 2.592 210 L HA 0.381 4.723 4.340 0.002 0.000 0.227 210 L C 1.835 178.532 176.870 -0.288 0.000 1.127 210 L CA 0.840 55.574 54.840 -0.177 0.000 0.884 210 L CB 0.026 41.978 42.059 -0.179 0.000 1.065 210 L HN 0.341 nan 8.230 nan 0.000 0.457 211 A N -0.101 122.644 122.820 -0.126 0.000 1.986 211 A HA -0.286 4.035 4.320 0.002 0.000 0.220 211 A C 2.098 179.466 177.584 -0.361 0.000 1.171 211 A CA 2.160 54.126 52.037 -0.117 0.000 0.640 211 A CB -0.976 18.040 19.000 0.026 0.000 0.811 211 A HN 0.627 nan 8.150 nan 0.000 0.451 212 Y N -3.364 116.735 120.300 -0.334 0.000 2.421 212 Y HA 0.037 4.588 4.550 0.002 0.000 0.292 212 Y C 1.835 177.467 175.900 -0.446 0.000 1.136 212 Y CA 0.974 58.604 58.100 -0.784 0.000 1.255 212 Y CB -0.664 37.691 38.460 -0.176 0.000 0.991 212 Y HN 0.243 nan 8.280 nan 0.000 0.552 213 F N 2.060 121.378 119.950 -1.052 0.000 2.315 213 F HA 0.038 4.567 4.527 0.002 0.000 0.284 213 F C 2.526 178.138 175.800 -0.313 0.000 1.049 213 F CA 1.622 59.247 58.000 -0.626 0.000 1.323 213 F CB -0.724 37.820 39.000 -0.759 0.000 1.113 213 F HN 0.076 nan 8.300 nan 0.000 0.544 214 T N -2.397 111.999 114.554 -0.264 0.000 3.007 214 T HA -0.105 4.246 4.350 0.002 0.000 0.270 214 T C 1.335 175.931 174.700 -0.173 0.000 1.107 214 T CA 1.613 63.615 62.100 -0.164 0.000 1.118 214 T CB -0.431 68.471 68.868 0.057 0.000 0.889 214 T HN 0.458 nan 8.240 nan 0.000 0.506 215 E N 0.690 120.774 120.200 -0.194 0.000 2.498 215 E HA 0.151 4.502 4.350 0.002 0.000 0.203 215 E C -0.230 176.380 176.600 0.016 0.000 1.013 215 E CA -0.340 56.033 56.400 -0.045 0.000 0.927 215 E CB 0.261 30.033 29.700 0.120 0.000 1.012 215 E HN 0.573 nan 8.360 nan 0.000 0.482 216 D N 1.230 121.547 120.400 -0.139 0.000 2.487 216 D HA -0.076 4.565 4.640 0.002 0.000 0.243 216 D C 1.588 177.927 176.300 0.065 0.000 1.154 216 D CA 0.043 54.034 54.000 -0.014 0.000 0.876 216 D CB 0.647 41.374 40.800 -0.121 0.000 1.161 216 D HN 0.170 nan 8.370 nan 0.000 0.478 217 I N 1.349 121.987 120.570 0.115 0.000 2.423 217 I HA -0.036 4.135 4.170 0.002 0.000 0.254 217 I C 1.779 178.006 176.117 0.183 0.000 1.151 217 I CA 1.152 62.548 61.300 0.161 0.000 1.421 217 I CB -0.459 37.334 38.000 -0.345 0.000 1.079 217 I HN 0.435 nan 8.210 nan 0.000 0.431 218 G N 1.720 110.555 108.800 0.058 0.000 2.394 218 G HA2 -0.177 3.784 3.960 0.002 0.000 0.215 218 G HA3 -0.177 3.784 3.960 0.002 0.000 0.215 218 G C 1.572 176.618 174.900 0.243 0.000 1.165 218 G CA 0.746 45.949 45.100 0.171 0.000 0.784 218 G HN 0.381 nan 8.290 nan 0.000 0.535 219 L N 1.270 122.555 121.223 0.104 0.000 2.017 219 L HA 0.005 4.346 4.340 0.002 0.000 0.208 219 L C 2.322 179.339 176.870 0.245 0.000 1.073 219 L CA 2.135 57.020 54.840 0.075 0.000 0.745 219 L CB -0.799 41.092 42.059 -0.280 0.000 0.894 219 L HN 0.199 nan 8.230 nan 0.000 0.432 220 N N -0.214 118.610 118.700 0.206 0.000 2.106 220 N HA -0.111 4.630 4.740 0.002 0.000 0.188 220 N C 1.887 177.672 175.510 0.460 0.000 1.029 220 N CA 1.514 54.715 53.050 0.250 0.000 0.848 220 N CB -0.480 38.057 38.487 0.084 0.000 1.007 220 N HN 0.493 nan 8.380 nan 0.000 0.423 221 A N 0.297 123.459 122.820 0.570 0.000 1.917 221 A HA -0.243 4.078 4.320 0.002 0.000 0.219 221 A C 2.052 179.913 177.584 0.463 0.000 1.182 221 A CA 1.407 53.698 52.037 0.423 0.000 0.633 221 A CB -1.147 18.055 19.000 0.337 0.000 0.819 221 A HN 0.516 nan 8.150 nan 0.000 0.448 222 Y N -1.212 119.366 120.300 0.462 0.000 2.151 222 Y HA -0.310 4.241 4.550 0.002 0.000 0.284 222 Y C 2.140 178.401 175.900 0.602 0.000 1.166 222 Y CA 1.891 60.326 58.100 0.558 0.000 1.163 222 Y CB -0.712 38.022 38.460 0.456 0.000 0.974 222 Y HN 0.477 nan 8.280 nan 0.000 0.511 223 Y N -0.994 119.494 120.300 0.314 0.000 2.200 223 Y HA -0.275 4.276 4.550 0.002 0.000 0.290 223 Y C 2.394 178.502 175.900 0.347 0.000 1.137 223 Y CA 1.292 59.540 58.100 0.247 0.000 1.163 223 Y CB -0.562 38.028 38.460 0.216 0.000 0.988 223 Y HN 0.221 nan 8.280 nan 0.000 0.518 224 F N -0.229 119.827 119.950 0.178 0.000 2.126 224 F HA -0.306 4.223 4.527 0.002 0.000 0.299 224 F C 1.580 177.346 175.800 -0.057 0.000 1.096 224 F CA 1.523 59.525 58.000 0.002 0.000 1.255 224 F CB -0.518 38.430 39.000 -0.087 0.000 0.997 224 F HN 0.014 nan 8.300 nan 0.000 0.479 225 F N -0.394 119.621 119.950 0.109 0.000 2.186 225 F HA -0.129 4.399 4.527 0.002 0.000 0.299 225 F C 2.172 177.945 175.800 -0.045 0.000 1.090 225 F CA 1.074 59.096 58.000 0.037 0.000 1.307 225 F CB -1.458 37.743 39.000 0.334 0.000 1.019 225 F HN 0.120 nan 8.300 nan 0.000 0.489 226 F N 0.276 120.175 119.950 -0.085 0.000 2.126 226 F HA -0.240 4.288 4.527 0.002 0.000 0.299 226 F C 2.707 178.293 175.800 -0.357 0.000 1.096 226 F CA 2.193 59.971 58.000 -0.370 0.000 1.255 226 F CB -0.820 37.649 39.000 -0.885 0.000 0.997 226 F HN 0.081 nan 8.300 nan 0.000 0.479 227 H N 0.785 119.408 119.070 -0.745 0.000 2.299 227 H HA -0.115 4.442 4.556 0.002 0.000 0.302 227 H C 2.174 177.032 175.328 -0.783 0.000 1.078 227 H CA 2.663 58.106 56.048 -1.008 0.000 1.323 227 H CB -0.709 28.169 29.762 -1.473 0.000 1.381 227 H HN 0.416 nan 8.280 nan 0.000 0.498 228 I N -1.804 118.256 120.570 -0.850 0.000 2.756 228 I HA -0.159 4.013 4.170 0.002 0.000 0.262 228 I C 2.136 177.971 176.117 -0.470 0.000 1.225 228 I CA 1.425 62.252 61.300 -0.789 0.000 1.472 228 I CB -0.574 37.002 38.000 -0.708 0.000 1.094 228 I HN 0.237 nan 8.210 nan 0.000 0.454 229 H N 1.895 120.747 119.070 -0.363 0.000 2.387 229 H HA 0.097 4.654 4.556 0.002 0.000 0.299 229 H C 0.275 175.487 175.328 -0.193 0.000 1.090 229 H CA 1.225 57.195 56.048 -0.129 0.000 1.332 229 H CB 0.455 30.159 29.762 -0.096 0.000 1.386 229 H HN 0.418 nan 8.280 nan 0.000 0.516 230 L N 0.902 121.947 121.223 -0.297 0.000 2.635 230 L HA 0.330 4.671 4.340 0.002 0.000 0.251 230 L C -2.883 173.593 176.870 -0.658 0.000 1.056 230 L CA -1.379 53.240 54.840 -0.369 0.000 0.936 230 L CB 1.388 43.227 42.059 -0.366 0.000 1.162 230 L HN -0.198 nan 8.230 nan 0.000 0.481 231 P HA 0.112 nan 4.420 nan 0.000 0.266 231 P C 0.780 177.598 177.300 -0.803 0.000 1.193 231 P CA 0.041 62.347 63.100 -1.322 0.000 0.770 231 P CB 0.289 30.587 31.700 -2.338 0.000 0.836 232 F N 1.453 121.232 119.950 -0.285 0.000 2.269 232 F HA -0.064 4.464 4.527 0.002 0.000 0.301 232 F C 1.522 177.369 175.800 0.078 0.000 1.082 232 F CA 0.351 58.353 58.000 0.003 0.000 1.360 232 F CB -1.334 37.811 39.000 0.242 0.000 1.041 232 F HN 0.407 nan 8.300 nan 0.000 0.512 233 W N -1.496 119.440 121.300 -0.607 0.000 3.180 233 W HA 0.140 4.801 4.660 0.002 0.000 0.254 233 W C -0.225 176.300 176.519 0.011 0.000 1.318 233 W CA -0.853 56.332 57.345 -0.267 0.000 1.608 233 W CB -0.894 28.287 29.460 -0.465 0.000 1.124 233 W HN 0.124 nan 8.180 nan 0.000 0.694 234 W N 2.648 123.743 121.300 -0.341 0.000 2.639 234 W HA 0.462 5.123 4.660 0.002 0.000 0.347 234 W C 0.214 176.667 176.519 -0.110 0.000 1.067 234 W CA -1.802 55.420 57.345 -0.205 0.000 1.218 234 W CB 1.413 30.463 29.460 -0.684 0.000 1.393 234 W HN -0.366 nan 8.180 nan 0.000 0.557 235 T N 2.107 116.463 114.554 -0.330 0.000 2.860 235 T HA 0.424 4.775 4.350 0.002 0.000 0.299 235 T C 0.722 175.085 174.700 -0.561 0.000 1.045 235 T CA 0.343 62.230 62.100 -0.355 0.000 1.071 235 T CB 0.956 69.647 68.868 -0.295 0.000 0.985 235 T HN 0.576 nan 8.240 nan 0.000 0.537 236 A N 2.365 124.995 122.820 -0.317 0.000 2.379 236 A HA 0.269 4.590 4.320 0.002 0.000 0.236 236 A C 1.734 179.209 177.584 -0.182 0.000 1.272 236 A CA 0.533 52.429 52.037 -0.235 0.000 0.886 236 A CB -0.617 18.286 19.000 -0.161 0.000 0.962 236 A HN 0.957 nan 8.150 nan 0.000 0.504 237 E N 1.737 121.769 120.200 -0.281 0.000 2.068 237 E HA -0.296 4.055 4.350 0.002 0.000 0.207 237 E C 1.863 178.368 176.600 -0.157 0.000 1.032 237 E CA 2.211 58.499 56.400 -0.186 0.000 0.839 237 E CB -0.271 29.317 29.700 -0.187 0.000 0.758 237 E HN 0.605 nan 8.360 nan 0.000 0.457 238 K N -0.936 119.305 120.400 -0.265 0.000 2.173 238 K HA -0.225 4.096 4.320 0.002 0.000 0.207 238 K C 1.045 177.446 176.600 -0.331 0.000 1.046 238 K CA 1.695 57.830 56.287 -0.253 0.000 0.929 238 K CB -0.344 31.981 32.500 -0.291 0.000 0.720 238 K HN 0.319 nan 8.250 nan 0.000 0.453 239 Y N 0.474 120.732 120.300 -0.070 0.000 2.537 239 Y HA 0.164 4.715 4.550 0.002 0.000 0.303 239 Y C 1.623 177.501 175.900 -0.036 0.000 1.176 239 Y CA 0.138 58.222 58.100 -0.027 0.000 1.273 239 Y CB 0.050 38.488 38.460 -0.037 0.000 1.110 239 Y HN 0.361 nan 8.280 nan 0.000 0.518 240 G N 1.243 110.060 108.800 0.029 0.000 2.952 240 G HA2 -0.512 3.449 3.960 0.002 0.000 0.346 240 G HA3 -0.512 3.449 3.960 0.002 0.000 0.346 240 G C 1.559 176.477 174.900 0.029 0.000 1.191 240 G CA 1.208 46.320 45.100 0.020 0.000 0.961 240 G HN 0.414 nan 8.290 nan 0.000 0.588 241 N N 0.587 119.311 118.700 0.040 0.000 2.309 241 N HA -0.021 4.721 4.740 0.002 0.000 0.182 241 N C 2.251 177.776 175.510 0.025 0.000 1.018 241 N CA 1.413 54.484 53.050 0.034 0.000 0.876 241 N CB -0.311 38.200 38.487 0.039 0.000 0.972 241 N HN 0.442 nan 8.380 nan 0.000 0.434 242 L N 2.232 123.468 121.223 0.022 0.000 2.081 242 L HA -0.191 4.150 4.340 0.002 0.000 0.212 242 L C 2.268 179.109 176.870 -0.049 0.000 1.080 242 L CA 1.756 56.568 54.840 -0.046 0.000 0.754 242 L CB -0.526 41.456 42.059 -0.127 0.000 0.893 242 L HN 0.063 nan 8.230 nan 0.000 0.433 243 K N -0.616 119.767 120.400 -0.028 0.000 2.044 243 K HA -0.268 4.053 4.320 0.002 0.000 0.210 243 K C 1.873 178.472 176.600 -0.002 0.000 1.049 243 K CA 2.136 58.404 56.287 -0.031 0.000 0.927 243 K CB -0.083 32.400 32.500 -0.028 0.000 0.713 243 K HN 0.332 nan 8.250 nan 0.000 0.443 244 E N -0.157 120.053 120.200 0.017 0.000 2.274 244 E HA -0.069 4.282 4.350 0.002 0.000 0.194 244 E C 1.157 177.793 176.600 0.061 0.000 0.996 244 E CA 0.908 57.332 56.400 0.040 0.000 0.840 244 E CB 0.215 29.940 29.700 0.043 0.000 0.772 244 E HN 0.234 nan 8.360 nan 0.000 0.491 245 R N -0.621 119.911 120.500 0.054 0.000 2.509 245 R HA 0.277 4.618 4.340 0.002 0.000 0.300 245 R C 1.618 177.974 176.300 0.093 0.000 0.985 245 R CA -0.181 55.971 56.100 0.087 0.000 1.092 245 R CB 0.311 30.658 30.300 0.078 0.000 1.237 245 R HN -0.041 nan 8.270 nan 0.000 0.546 246 R N 0.746 121.278 120.500 0.053 0.000 2.113 246 R HA -0.160 4.182 4.340 0.002 0.000 0.244 246 R C 1.952 178.363 176.300 0.184 0.000 1.142 246 R CA 2.105 58.234 56.100 0.050 0.000 0.953 246 R CB -0.500 29.800 30.300 -0.000 0.000 0.860 246 R HN 0.330 nan 8.270 nan 0.000 0.438 247 G N 0.132 109.060 108.800 0.214 0.000 2.442 247 G HA2 -0.326 3.635 3.960 0.002 0.000 0.219 247 G HA3 -0.326 3.635 3.960 0.002 0.000 0.219 247 G C 1.261 176.475 174.900 0.523 0.000 1.141 247 G CA 0.923 46.247 45.100 0.374 0.000 0.763 247 G HN 0.507 nan 8.290 nan 0.000 0.554 248 E N -0.507 119.921 120.200 0.381 0.000 2.051 248 E HA -0.132 4.219 4.350 0.002 0.000 0.192 248 E C 2.363 179.198 176.600 0.391 0.000 0.991 248 E CA 0.850 57.461 56.400 0.351 0.000 0.799 248 E CB -0.192 29.659 29.700 0.252 0.000 0.748 248 E HN 0.374 nan 8.360 nan 0.000 0.449 249 M N 0.126 119.927 119.600 0.336 0.000 2.213 249 M HA -0.188 4.293 4.480 0.002 0.000 0.263 249 M C 1.918 178.529 176.300 0.519 0.000 1.062 249 M CA 1.406 56.927 55.300 0.368 0.000 1.105 249 M CB -0.416 32.280 32.600 0.160 0.000 1.385 249 M HN 0.219 nan 8.290 nan 0.000 0.417 250 Y N 0.148 120.702 120.300 0.422 0.000 2.163 250 Y HA -0.284 4.268 4.550 0.002 0.000 0.288 250 Y C 2.468 178.681 175.900 0.521 0.000 1.136 250 Y CA 2.595 61.023 58.100 0.547 0.000 1.147 250 Y CB -0.810 37.995 38.460 0.573 0.000 0.987 250 Y HN 0.506 nan 8.280 nan 0.000 0.509 251 H N -1.180 118.109 119.070 0.365 0.000 2.290 251 H HA -0.275 4.282 4.556 0.002 0.000 0.298 251 H C 2.163 177.532 175.328 0.068 0.000 1.087 251 H CA 2.462 58.473 56.048 -0.062 0.000 1.291 251 H CB -0.955 28.436 29.762 -0.617 0.000 1.369 251 H HN 0.518 nan 8.280 nan 0.000 0.492 252 Y N -0.422 119.960 120.300 0.137 0.000 2.128 252 Y HA -0.280 4.271 4.550 0.002 0.000 0.284 252 Y C 2.239 178.155 175.900 0.026 0.000 1.154 252 Y CA 1.850 60.019 58.100 0.114 0.000 1.149 252 Y CB -0.635 37.983 38.460 0.264 0.000 0.976 252 Y HN 0.324 nan 8.280 nan 0.000 0.505 253 F N -0.177 119.747 119.950 -0.043 0.000 2.069 253 F HA -0.299 4.229 4.527 0.002 0.000 0.298 253 F C 1.853 177.358 175.800 -0.492 0.000 1.113 253 F CA 1.970 59.774 58.000 -0.326 0.000 1.214 253 F CB -1.117 37.564 39.000 -0.531 0.000 0.978 253 F HN 0.135 nan 8.300 nan 0.000 0.474 254 Y N -0.005 119.984 120.300 -0.518 0.000 2.200 254 Y HA -0.194 4.357 4.550 0.002 0.000 0.290 254 Y C 2.430 178.040 175.900 -0.484 0.000 1.137 254 Y CA 1.544 59.299 58.100 -0.575 0.000 1.163 254 Y CB -0.741 37.450 38.460 -0.448 0.000 0.988 254 Y HN 0.156 nan 8.280 nan 0.000 0.518 255 D N -0.640 119.552 120.400 -0.346 0.000 2.104 255 D HA -0.201 4.440 4.640 0.002 0.000 0.194 255 D C 2.058 178.186 176.300 -0.287 0.000 0.994 255 D CA 1.432 55.217 54.000 -0.358 0.000 0.830 255 D CB 0.080 40.565 40.800 -0.525 0.000 0.959 255 D HN 0.145 nan 8.370 nan 0.000 0.452 256 Q N -0.223 119.360 119.800 -0.362 0.000 2.084 256 Q HA -0.137 4.204 4.340 0.002 0.000 0.202 256 Q C 2.331 178.268 176.000 -0.105 0.000 0.978 256 Q CA 0.698 56.363 55.803 -0.230 0.000 0.844 256 Q CB -0.616 27.844 28.738 -0.464 0.000 0.898 256 Q HN 0.374 nan 8.270 nan 0.000 0.426 257 L N 0.240 121.293 121.223 -0.283 0.000 2.056 257 L HA -0.145 4.197 4.340 0.002 0.000 0.207 257 L C 1.979 178.838 176.870 -0.017 0.000 1.078 257 L CA 1.266 56.008 54.840 -0.162 0.000 0.749 257 L CB -0.578 41.235 42.059 -0.411 0.000 0.901 257 L HN 0.113 nan 8.230 nan 0.000 0.433 258 L N -0.726 120.463 121.223 -0.057 0.000 2.093 258 L HA -0.141 4.200 4.340 0.002 0.000 0.208 258 L C 2.457 179.307 176.870 -0.033 0.000 1.085 258 L CA 1.977 56.834 54.840 0.027 0.000 0.755 258 L CB -1.621 40.407 42.059 -0.052 0.000 0.904 258 L HN 0.304 nan 8.230 nan 0.000 0.435 259 T N -1.408 113.035 114.554 -0.185 0.000 2.812 259 T HA -0.175 4.176 4.350 0.002 0.000 0.264 259 T C 2.053 176.280 174.700 -0.788 0.000 1.042 259 T CA 1.188 63.053 62.100 -0.392 0.000 1.140 259 T CB -0.029 68.618 68.868 -0.369 0.000 0.870 259 T HN 0.090 nan 8.240 nan 0.000 0.445 260 R N 0.703 120.819 120.500 -0.640 0.000 2.073 260 R HA -0.070 4.271 4.340 0.002 0.000 0.234 260 R C 2.068 178.072 176.300 -0.492 0.000 1.134 260 R CA 1.537 57.137 56.100 -0.835 0.000 0.952 260 R CB -1.176 28.752 30.300 -0.621 0.000 0.850 260 R HN 0.559 nan 8.270 nan 0.000 0.433 261 Y N -0.314 119.800 120.300 -0.309 0.000 2.224 261 Y HA -0.264 4.288 4.550 0.002 0.000 0.289 261 Y C 1.996 177.716 175.900 -0.299 0.000 1.146 261 Y CA 2.019 59.949 58.100 -0.284 0.000 1.182 261 Y CB -0.511 37.863 38.460 -0.142 0.000 0.983 261 Y HN 0.294 nan 8.280 nan 0.000 0.524 262 Y N -0.634 119.472 120.300 -0.323 0.000 2.224 262 Y HA -0.293 4.258 4.550 0.002 0.000 0.289 262 Y C 1.703 177.491 175.900 -0.187 0.000 1.146 262 Y CA 1.418 59.343 58.100 -0.292 0.000 1.182 262 Y CB -0.461 37.888 38.460 -0.185 0.000 0.983 262 Y HN 0.119 nan 8.280 nan 0.000 0.524 263 F N 0.876 120.565 119.950 -0.434 0.000 2.171 263 F HA -0.142 4.386 4.527 0.002 0.000 0.300 263 F C 2.383 177.867 175.800 -0.527 0.000 1.090 263 F CA 1.532 59.270 58.000 -0.436 0.000 1.293 263 F CB -1.219 37.520 39.000 -0.434 0.000 1.013 263 F HN 0.168 nan 8.300 nan 0.000 0.486 264 E N 0.310 120.206 120.200 -0.507 0.000 2.106 264 E HA -0.144 4.207 4.350 0.002 0.000 0.192 264 E C 2.312 178.580 176.600 -0.554 0.000 0.984 264 E CA 1.041 57.055 56.400 -0.643 0.000 0.806 264 E CB -0.048 29.001 29.700 -1.085 0.000 0.750 264 E HN 0.238 nan 8.360 nan 0.000 0.458 265 R N -0.483 119.646 120.500 -0.617 0.000 2.075 265 R HA -0.106 4.235 4.340 0.002 0.000 0.232 265 R C 2.176 178.226 176.300 -0.417 0.000 1.126 265 R CA 0.998 56.808 56.100 -0.484 0.000 0.963 265 R CB -0.400 29.645 30.300 -0.425 0.000 0.858 265 R HN 0.162 nan 8.270 nan 0.000 0.435 266 L N 0.844 121.747 121.223 -0.533 0.000 2.012 266 L HA -0.176 4.165 4.340 0.002 0.000 0.210 266 L C 2.578 178.904 176.870 -0.906 0.000 1.073 266 L CA 2.312 56.780 54.840 -0.620 0.000 0.748 266 L CB -1.046 40.595 42.059 -0.697 0.000 0.891 266 L HN 0.339 nan 8.230 nan 0.000 0.431 267 T N -4.104 109.863 114.554 -0.977 0.000 3.113 267 T HA -0.063 4.288 4.350 0.002 0.000 0.263 267 T C 1.291 175.730 174.700 -0.436 0.000 1.143 267 T CA 0.834 62.317 62.100 -1.028 0.000 1.090 267 T CB -0.401 68.108 68.868 -0.598 0.000 0.922 267 T HN 0.303 nan 8.240 nan 0.000 0.521 268 N N 0.687 119.196 118.700 -0.319 0.000 2.234 268 N HA 0.231 4.972 4.740 0.002 0.000 0.227 268 N C 1.207 176.660 175.510 -0.095 0.000 1.151 268 N CA 0.491 53.470 53.050 -0.117 0.000 0.865 268 N CB 0.765 39.213 38.487 -0.065 0.000 1.066 268 N HN 0.625 nan 8.380 nan 0.000 0.515 269 G N 1.363 110.077 108.800 -0.143 0.000 2.225 269 G HA2 -0.262 3.699 3.960 0.002 0.000 0.267 269 G HA3 -0.262 3.699 3.960 0.002 0.000 0.267 269 G C 0.656 175.523 174.900 -0.055 0.000 1.024 269 G CA 0.172 45.229 45.100 -0.073 0.000 0.784 269 G HN 0.393 nan 8.290 nan 0.000 0.507 270 L N -0.091 121.075 121.223 -0.093 0.000 2.607 270 L HA 0.398 4.739 4.340 0.002 0.000 0.228 270 L C 1.987 178.839 176.870 -0.030 0.000 1.123 270 L CA 0.325 55.129 54.840 -0.061 0.000 0.890 270 L CB -0.392 41.609 42.059 -0.098 0.000 1.103 270 L HN 0.848 nan 8.230 nan 0.000 0.468 271 G N 0.894 109.681 108.800 -0.021 0.000 2.598 271 G HA2 -0.330 3.631 3.960 0.002 0.000 0.269 271 G HA3 -0.330 3.631 3.960 0.002 0.000 0.269 271 G C 0.212 175.228 174.900 0.192 0.000 1.289 271 G CA -0.021 45.122 45.100 0.072 0.000 0.926 271 G HN 0.338 nan 8.290 nan 0.000 0.567 272 T N -1.077 113.595 114.554 0.196 0.000 2.813 272 T HA 0.530 4.881 4.350 0.002 0.000 0.297 272 T C 1.123 175.866 174.700 0.071 0.000 1.036 272 T CA -0.043 62.129 62.100 0.119 0.000 1.044 272 T CB 0.679 69.525 68.868 -0.038 0.000 0.993 272 T HN 0.823 nan 8.240 nan 0.000 0.535 273 I N 2.836 123.423 120.570 0.029 0.000 2.587 273 I HA 0.140 4.311 4.170 0.002 0.000 0.284 273 I C -1.853 174.289 176.117 0.043 0.000 1.134 273 I CA -1.788 59.565 61.300 0.088 0.000 1.410 273 I CB -0.065 37.989 38.000 0.090 0.000 1.392 273 I HN 0.474 nan 8.210 nan 0.000 0.545 274 P HA 0.001 nan 4.420 nan 0.000 0.266 274 P C -0.561 176.774 177.300 0.058 0.000 1.193 274 P CA 0.229 63.361 63.100 0.054 0.000 0.770 274 P CB 0.496 32.233 31.700 0.062 0.000 0.836 275 E N 1.477 121.697 120.200 0.033 0.000 2.202 275 E HA 0.489 4.840 4.350 0.002 0.000 0.272 275 E C -0.517 176.114 176.600 0.053 0.000 0.951 275 E CA -0.495 55.899 56.400 -0.010 0.000 0.813 275 E CB 1.087 30.730 29.700 -0.095 0.000 1.151 275 E HN 0.378 nan 8.360 nan 0.000 0.398 276 F N -0.989 118.851 119.950 -0.183 0.000 2.691 276 F HA 0.725 5.253 4.527 0.002 0.000 0.334 276 F C -0.549 175.106 175.800 -0.242 0.000 1.107 276 F CA -1.144 56.736 58.000 -0.201 0.000 0.991 276 F CB 1.400 40.243 39.000 -0.261 0.000 1.400 276 F HN 0.232 nan 8.300 nan 0.000 0.503 277 S N -0.504 115.135 115.700 -0.102 0.000 2.536 277 S HA 0.336 4.807 4.470 0.002 0.000 0.287 277 S C -0.738 173.888 174.600 0.042 0.000 1.101 277 S CA -0.756 57.368 58.200 -0.128 0.000 0.950 277 S CB 0.701 63.936 63.200 0.058 0.000 1.056 277 S HN 0.773 nan 8.310 nan 0.000 0.481 278 W N 2.207 123.597 121.300 0.151 0.000 2.937 278 W HA 0.131 4.792 4.660 0.002 0.000 0.245 278 W C 0.236 176.626 176.519 -0.215 0.000 1.306 278 W CA -0.200 57.146 57.345 0.002 0.000 1.470 278 W CB -0.002 29.369 29.460 -0.149 0.000 1.132 278 W HN 0.744 nan 8.180 nan 0.000 0.675 279 Y N -0.746 119.682 120.300 0.213 0.000 2.584 279 Y HA 0.307 4.858 4.550 0.002 0.000 0.254 279 Y C 0.541 176.446 175.900 0.008 0.000 1.177 279 Y CA -0.252 57.834 58.100 -0.022 0.000 1.216 279 Y CB -0.106 38.268 38.460 -0.144 0.000 1.172 279 Y HN -0.348 nan 8.280 nan 0.000 0.529 280 S N -0.464 115.351 115.700 0.193 0.000 2.595 280 S HA 0.482 4.953 4.470 0.002 0.000 0.281 280 S C -2.828 171.865 174.600 0.155 0.000 1.117 280 S CA -1.491 56.803 58.200 0.158 0.000 0.873 280 S CB 1.874 65.159 63.200 0.141 0.000 1.108 280 S HN -0.231 nan 8.310 nan 0.000 0.477 281 P HA 0.106 nan 4.420 nan 0.000 0.265 281 P C -1.047 176.345 177.300 0.153 0.000 1.193 281 P CA -0.176 63.020 63.100 0.160 0.000 0.765 281 P CB 0.282 32.127 31.700 0.242 0.000 0.823 282 V N 4.958 124.942 119.914 0.116 0.000 2.427 282 V HA 0.019 4.140 4.120 0.002 0.000 0.268 282 V C 1.807 177.865 176.094 -0.061 0.000 1.046 282 V CA 0.234 62.559 62.300 0.042 0.000 0.970 282 V CB 0.577 32.418 31.823 0.029 0.000 1.001 282 V HN 0.623 nan 8.190 nan 0.000 0.476 283 K N 3.918 124.231 120.400 -0.146 0.000 2.002 283 K HA -0.110 4.211 4.320 0.002 0.000 0.209 283 K C 1.044 177.343 176.600 -0.502 0.000 1.048 283 K CA 1.617 57.607 56.287 -0.494 0.000 0.930 283 K CB -0.071 32.273 32.500 -0.262 0.000 0.714 283 K HN 0.784 nan 8.250 nan 0.000 0.438 284 T N -0.483 113.940 114.554 -0.219 0.000 2.723 284 T HA 0.470 4.821 4.350 0.002 0.000 0.297 284 T C 0.375 175.053 174.700 -0.037 0.000 0.925 284 T CA -0.739 61.300 62.100 -0.103 0.000 1.030 284 T CB 1.375 70.232 68.868 -0.018 0.000 0.905 284 T HN 0.297 nan 8.240 nan 0.000 0.502 285 G N 1.533 110.351 108.800 0.030 0.000 2.557 285 G HA2 0.534 4.495 3.960 0.002 0.000 0.292 285 G HA3 0.534 4.495 3.960 0.002 0.000 0.292 285 G C -1.115 173.893 174.900 0.180 0.000 1.237 285 G CA -0.758 44.356 45.100 0.023 0.000 0.978 285 G HN 1.036 nan 8.290 nan 0.000 0.498 286 H N -1.969 116.987 119.070 -0.190 0.000 3.029 286 H HA 0.476 5.033 4.556 0.002 0.000 0.358 286 H C -2.026 173.007 175.328 -0.492 0.000 1.129 286 H CA -0.764 55.227 56.048 -0.096 0.000 1.230 286 H CB 1.349 31.101 29.762 -0.017 0.000 1.827 286 H HN 0.384 nan 8.280 nan 0.000 0.530 287 Y N 5.082 124.829 120.300 -0.922 0.000 2.555 287 Y HA 0.325 4.876 4.550 0.002 0.000 0.326 287 Y C -2.321 173.241 175.900 -0.563 0.000 0.984 287 Y CA -2.547 55.155 58.100 -0.664 0.000 1.298 287 Y CB 1.351 39.382 38.460 -0.716 0.000 1.094 287 Y HN 0.520 nan 8.280 nan 0.000 0.500 288 P HA 0.148 nan 4.420 nan 0.000 0.276 288 P C -0.031 177.194 177.300 -0.126 0.000 1.253 288 P CA -0.006 63.033 63.100 -0.101 0.000 0.766 288 P CB 0.751 32.526 31.700 0.125 0.000 0.845 289 L N 3.614 124.750 121.223 -0.145 0.000 2.939 289 L HA 0.179 4.520 4.340 0.002 0.000 0.239 289 L C -0.072 176.635 176.870 -0.271 0.000 1.325 289 L CA -0.062 54.684 54.840 -0.158 0.000 1.170 289 L CB -0.518 41.475 42.059 -0.110 0.000 1.538 289 L HN 0.263 nan 8.230 nan 0.000 0.452 290 L N -0.818 120.147 121.223 -0.430 0.000 2.319 290 L HA 0.666 5.008 4.340 0.002 0.000 0.267 290 L C 0.141 176.699 176.870 -0.520 0.000 1.011 290 L CA -0.197 54.233 54.840 -0.684 0.000 0.818 290 L CB 1.975 43.221 42.059 -1.354 0.000 1.316 290 L HN -0.121 nan 8.230 nan 0.000 0.432 291 T N -0.377 114.001 114.554 -0.294 0.000 2.883 291 T HA 0.689 5.040 4.350 0.002 0.000 0.301 291 T C -0.373 174.449 174.700 0.204 0.000 1.158 291 T CA -0.174 61.980 62.100 0.089 0.000 1.007 291 T CB 1.323 70.228 68.868 0.062 0.000 1.186 291 T HN 0.820 nan 8.240 nan 0.000 0.499 292 S N 1.909 117.767 115.700 0.263 0.000 2.718 292 S HA 0.467 4.938 4.470 0.002 0.000 0.292 292 S C 0.412 175.031 174.600 0.030 0.000 1.125 292 S CA -0.446 57.835 58.200 0.135 0.000 1.013 292 S CB 0.278 63.561 63.200 0.138 0.000 1.192 292 S HN 0.678 nan 8.310 nan 0.000 0.535 293 Y N -0.564 119.793 120.300 0.095 0.000 2.561 293 Y HA 0.215 4.766 4.550 0.002 0.000 0.291 293 Y C 1.006 176.664 175.900 -0.402 0.000 1.141 293 Y CA 0.549 58.566 58.100 -0.137 0.000 1.303 293 Y CB -0.337 37.988 38.460 -0.225 0.000 1.015 293 Y HN 0.654 nan 8.280 nan 0.000 0.547 294 Y N -2.484 117.927 120.300 0.186 0.000 2.423 294 Y HA 0.285 4.836 4.550 0.002 0.000 0.257 294 Y C 0.870 176.796 175.900 0.043 0.000 1.087 294 Y CA 0.060 58.210 58.100 0.085 0.000 1.258 294 Y CB 0.993 39.475 38.460 0.036 0.000 1.237 294 Y HN -0.219 nan 8.280 nan 0.000 0.517 295 T N -0.293 114.366 114.554 0.175 0.000 2.830 295 T HA 0.440 4.792 4.350 0.002 0.000 0.322 295 T C -3.143 171.647 174.700 0.150 0.000 1.501 295 T CA -1.897 60.276 62.100 0.123 0.000 1.036 295 T CB 1.572 70.479 68.868 0.066 0.000 1.379 295 T HN -0.366 nan 8.240 nan 0.000 0.493 296 P HA 0.474 nan 4.420 nan 0.000 0.276 296 P C -0.654 176.811 177.300 0.275 0.000 1.244 296 P CA -0.533 62.686 63.100 0.198 0.000 0.801 296 P CB 0.243 32.019 31.700 0.128 0.000 1.006 297 F N 0.157 120.120 119.950 0.021 0.000 2.496 297 F HA 0.097 4.625 4.527 0.002 0.000 0.344 297 F C 1.445 177.251 175.800 0.011 0.000 1.155 297 F CA -0.097 57.928 58.000 0.040 0.000 1.302 297 F CB -0.224 38.808 39.000 0.053 0.000 1.159 297 F HN 0.212 nan 8.300 nan 0.000 0.595 298 S N 2.201 117.972 115.700 0.118 0.000 2.564 298 S HA 0.386 4.857 4.470 0.002 0.000 0.278 298 S C -0.624 173.955 174.600 -0.035 0.000 1.333 298 S CA -0.890 57.322 58.200 0.020 0.000 1.048 298 S CB 0.646 63.831 63.200 -0.026 0.000 0.900 298 S HN 0.602 nan 8.310 nan 0.000 0.505 299 Q N 1.088 120.800 119.800 -0.147 0.000 2.306 299 Q HA 0.496 4.837 4.340 0.002 0.000 0.265 299 Q C -0.493 175.214 176.000 -0.488 0.000 1.022 299 Q CA -0.753 54.825 55.803 -0.376 0.000 0.853 299 Q CB 1.777 30.256 28.738 -0.431 0.000 1.327 299 Q HN 0.689 nan 8.270 nan 0.000 0.449 300 R N 3.121 123.239 120.500 -0.636 0.000 2.371 300 R HA 0.360 4.701 4.340 0.002 0.000 0.312 300 R C -2.641 173.320 176.300 -0.565 0.000 0.980 300 R CA -1.882 53.847 56.100 -0.618 0.000 0.867 300 R CB 1.016 30.996 30.300 -0.533 0.000 1.163 300 R HN 0.471 nan 8.270 nan 0.000 0.492 301 P HA 0.014 nan 4.420 nan 0.000 0.272 301 P C -0.835 176.491 177.300 0.044 0.000 1.240 301 P CA -0.141 62.912 63.100 -0.078 0.000 0.791 301 P CB 0.914 32.686 31.700 0.119 0.000 0.978 302 N N 0.148 118.940 118.700 0.153 0.000 2.416 302 N HA 0.056 4.797 4.740 0.002 0.000 0.246 302 N C -0.376 175.213 175.510 0.132 0.000 1.260 302 N CA -0.062 53.009 53.050 0.035 0.000 0.897 302 N CB -0.552 38.005 38.487 0.118 0.000 1.110 302 N HN 0.317 nan 8.380 nan 0.000 0.439 303 F N -0.666 119.377 119.950 0.154 0.000 2.969 303 F HA -0.247 4.281 4.527 0.002 0.000 0.273 303 F C -0.289 175.614 175.800 0.172 0.000 0.986 303 F CA 0.242 58.326 58.000 0.141 0.000 0.926 303 F CB -2.227 36.842 39.000 0.115 0.000 0.887 303 F HN 0.453 nan 8.300 nan 0.000 0.816 304 Y N 2.171 122.525 120.300 0.090 0.000 2.496 304 Y HA 0.297 4.849 4.550 0.002 0.000 0.334 304 Y C 0.761 176.721 175.900 0.100 0.000 1.080 304 Y CA -1.493 56.650 58.100 0.071 0.000 1.355 304 Y CB 0.361 38.822 38.460 0.001 0.000 1.193 304 Y HN 0.243 nan 8.280 nan 0.000 0.523 305 N N 5.876 124.379 118.700 -0.329 0.000 2.605 305 N HA -0.034 4.707 4.740 0.002 0.000 0.282 305 N C 0.602 175.681 175.510 -0.719 0.000 1.206 305 N CA 0.262 53.114 53.050 -0.329 0.000 1.074 305 N CB 0.193 38.600 38.487 -0.133 0.000 1.434 305 N HN 0.697 nan 8.380 nan 0.000 0.506 306 V N 2.809 122.377 119.914 -0.576 0.000 2.667 306 V HA -0.117 4.004 4.120 0.002 0.000 0.252 306 V C 0.533 176.568 176.094 -0.097 0.000 1.065 306 V CA 1.250 63.311 62.300 -0.397 0.000 1.083 306 V CB -0.885 30.952 31.823 0.023 0.000 0.692 306 V HN 0.755 nan 8.190 nan 0.000 0.468 307 H N 1.087 120.108 119.070 -0.082 0.000 2.855 307 H HA 0.459 5.016 4.556 0.002 0.000 0.238 307 H C 0.331 175.686 175.328 0.045 0.000 1.847 307 H CA 0.091 56.161 56.048 0.036 0.000 1.368 307 H CB -0.544 29.286 29.762 0.113 0.000 1.758 307 H HN 0.581 nan 8.280 nan 0.000 0.546 308 S N 0.592 116.110 115.700 -0.303 0.000 2.648 308 S HA 0.154 4.625 4.470 0.002 0.000 0.305 308 S C 1.298 175.316 174.600 -0.970 0.000 1.094 308 S CA -0.767 57.175 58.200 -0.430 0.000 0.983 308 S CB 1.839 64.877 63.200 -0.270 0.000 1.101 308 S HN 0.666 nan 8.310 nan 0.000 0.514 309 E N 1.059 120.599 120.200 -1.100 0.000 2.147 309 E HA -0.306 4.045 4.350 0.002 0.000 0.199 309 E C 1.678 177.843 176.600 -0.725 0.000 1.005 309 E CA 1.987 57.584 56.400 -1.339 0.000 0.810 309 E CB -0.309 29.070 29.700 -0.534 0.000 0.736 309 E HN 0.878 nan 8.360 nan 0.000 0.460 310 E N -0.441 119.505 120.200 -0.423 0.000 2.204 310 E HA -0.177 4.174 4.350 0.002 0.000 0.195 310 E C 1.246 177.721 176.600 -0.208 0.000 0.990 310 E CA 1.105 57.364 56.400 -0.236 0.000 0.821 310 E CB -0.090 29.527 29.700 -0.138 0.000 0.750 310 E HN 0.212 nan 8.360 nan 0.000 0.477 311 N N -0.401 118.140 118.700 -0.266 0.000 2.205 311 N HA 0.074 4.815 4.740 0.002 0.000 0.201 311 N C 0.864 176.337 175.510 -0.062 0.000 1.128 311 N CA 0.021 52.980 53.050 -0.152 0.000 0.867 311 N CB -0.012 38.406 38.487 -0.115 0.000 0.996 311 N HN 0.356 nan 8.380 nan 0.000 0.503 312 Y N 1.576 121.792 120.300 -0.141 0.000 2.040 312 Y HA -0.250 4.301 4.550 0.002 0.000 0.275 312 Y C 2.549 178.427 175.900 -0.037 0.000 1.171 312 Y CA 0.927 58.962 58.100 -0.107 0.000 1.123 312 Y CB 0.114 38.522 38.460 -0.087 0.000 0.963 312 Y HN 0.101 nan 8.280 nan 0.000 0.493 313 E N 1.171 121.456 120.200 0.141 0.000 2.072 313 E HA -0.186 4.165 4.350 0.002 0.000 0.191 313 E C 1.832 178.470 176.600 0.064 0.000 0.985 313 E CA 1.240 57.693 56.400 0.087 0.000 0.801 313 E CB -0.065 29.662 29.700 0.045 0.000 0.750 313 E HN 0.473 nan 8.360 nan 0.000 0.452 314 K N 0.177 120.579 120.400 0.004 0.000 2.057 314 K HA -0.067 4.254 4.320 0.002 0.000 0.207 314 K C 2.350 178.911 176.600 -0.064 0.000 1.049 314 K CA 1.260 57.533 56.287 -0.024 0.000 0.931 314 K CB -0.117 32.316 32.500 -0.111 0.000 0.714 314 K HN 0.186 nan 8.250 nan 0.000 0.440 315 I N 0.842 121.340 120.570 -0.120 0.000 2.394 315 I HA -0.244 3.927 4.170 0.002 0.000 0.251 315 I C 2.302 178.369 176.117 -0.083 0.000 1.136 315 I CA 1.072 62.226 61.300 -0.243 0.000 1.425 315 I CB -0.155 37.745 38.000 -0.166 0.000 1.079 315 I HN 0.153 nan 8.210 nan 0.000 0.425 316 R N 0.001 120.543 120.500 0.070 0.000 2.092 316 R HA -0.163 4.179 4.340 0.002 0.000 0.231 316 R C 2.319 178.715 176.300 0.160 0.000 1.119 316 R CA 1.369 57.559 56.100 0.149 0.000 0.970 316 R CB -0.441 29.954 30.300 0.157 0.000 0.864 316 R HN 0.280 nan 8.270 nan 0.000 0.440 317 F N 1.791 121.751 119.950 0.017 0.000 2.113 317 F HA -0.121 4.407 4.527 0.002 0.000 0.297 317 F C 1.845 177.708 175.800 0.104 0.000 1.103 317 F CA 1.315 59.347 58.000 0.053 0.000 1.248 317 F CB -0.351 38.649 39.000 0.000 0.000 0.999 317 F HN -0.137 nan 8.300 nan 0.000 0.475 318 L N 0.130 121.206 121.223 -0.245 0.000 2.046 318 L HA -0.207 4.134 4.340 0.002 0.000 0.208 318 L C 2.251 179.157 176.870 0.060 0.000 1.077 318 L CA 1.855 56.526 54.840 -0.282 0.000 0.747 318 L CB -0.934 40.688 42.059 -0.728 0.000 0.896 318 L HN 0.185 nan 8.230 nan 0.000 0.432 319 D N 0.064 120.515 120.400 0.084 0.000 2.097 319 D HA -0.177 4.464 4.640 0.002 0.000 0.195 319 D C 2.164 178.588 176.300 0.207 0.000 0.989 319 D CA 1.399 55.555 54.000 0.261 0.000 0.827 319 D CB 0.122 41.120 40.800 0.330 0.000 0.966 319 D HN 0.235 nan 8.370 nan 0.000 0.456 320 A N -0.715 122.189 122.820 0.139 0.000 1.908 320 A HA -0.196 4.125 4.320 0.002 0.000 0.218 320 A C 2.269 179.925 177.584 0.121 0.000 1.181 320 A CA 1.538 53.650 52.037 0.126 0.000 0.627 320 A CB -1.427 17.646 19.000 0.122 0.000 0.818 320 A HN 0.488 nan 8.150 nan 0.000 0.445 321 Y N 0.680 120.911 120.300 -0.114 0.000 2.114 321 Y HA -0.276 4.275 4.550 0.002 0.000 0.282 321 Y C 2.470 178.347 175.900 -0.038 0.000 1.165 321 Y CA 2.462 60.471 58.100 -0.152 0.000 1.148 321 Y CB -0.165 38.071 38.460 -0.373 0.000 0.972 321 Y HN 0.497 nan 8.280 nan 0.000 0.504 322 E N -0.523 119.808 120.200 0.219 0.000 2.106 322 E HA -0.206 4.145 4.350 0.002 0.000 0.192 322 E C 1.931 178.609 176.600 0.130 0.000 0.984 322 E CA 1.174 57.672 56.400 0.164 0.000 0.806 322 E CB -0.305 29.571 29.700 0.294 0.000 0.750 322 E HN 0.618 nan 8.360 nan 0.000 0.458 323 N N 0.050 118.844 118.700 0.157 0.000 2.084 323 N HA -0.197 4.544 4.740 0.002 0.000 0.190 323 N C 1.862 177.412 175.510 0.066 0.000 1.030 323 N CA 0.870 53.990 53.050 0.117 0.000 0.849 323 N CB -0.169 38.389 38.487 0.118 0.000 1.012 323 N HN 0.145 nan 8.380 nan 0.000 0.423 324 Y N 0.968 121.257 120.300 -0.018 0.000 2.151 324 Y HA -0.284 4.267 4.550 0.002 0.000 0.284 324 Y C 2.096 177.928 175.900 -0.113 0.000 1.166 324 Y CA 1.555 59.608 58.100 -0.077 0.000 1.163 324 Y CB -0.593 37.802 38.460 -0.107 0.000 0.974 324 Y HN 0.039 nan 8.280 nan 0.000 0.511 325 F N -0.464 119.299 119.950 -0.310 0.000 2.163 325 F HA -0.144 4.384 4.527 0.002 0.000 0.297 325 F C 2.165 177.834 175.800 -0.218 0.000 1.094 325 F CA 1.632 59.428 58.000 -0.340 0.000 1.290 325 F CB -0.566 38.311 39.000 -0.204 0.000 1.017 325 F HN -0.078 nan 8.300 nan 0.000 0.483 326 V N 0.214 120.125 119.914 -0.004 0.000 2.343 326 V HA -0.320 3.801 4.120 0.002 0.000 0.247 326 V C 2.220 178.218 176.094 -0.160 0.000 1.051 326 V CA 2.204 64.509 62.300 0.008 0.000 1.036 326 V CB -0.824 31.075 31.823 0.127 0.000 0.654 326 V HN 0.368 nan 8.190 nan 0.000 0.451 327 Q N -0.217 119.459 119.800 -0.206 0.000 2.119 327 Q HA -0.131 4.210 4.340 0.002 0.000 0.201 327 Q C 2.441 178.197 176.000 -0.405 0.000 0.972 327 Q CA 1.612 57.269 55.803 -0.244 0.000 0.847 327 Q CB -0.415 28.205 28.738 -0.197 0.000 0.903 327 Q HN 0.674 nan 8.270 nan 0.000 0.433 328 A N 0.771 123.210 122.820 -0.635 0.000 1.883 328 A HA -0.197 4.124 4.320 0.002 0.000 0.217 328 A C 1.987 179.055 177.584 -0.860 0.000 1.186 328 A CA 1.221 52.752 52.037 -0.842 0.000 0.624 328 A CB -0.571 17.768 19.000 -1.102 0.000 0.822 328 A HN 0.243 nan 8.150 nan 0.000 0.444 329 L N -0.713 120.012 121.223 -0.831 0.000 2.046 329 L HA -0.182 4.159 4.340 0.002 0.000 0.208 329 L C 2.622 179.182 176.870 -0.517 0.000 1.077 329 L CA 2.274 56.630 54.840 -0.807 0.000 0.747 329 L CB -1.039 40.641 42.059 -0.632 0.000 0.896 329 L HN 0.487 nan 8.230 nan 0.000 0.432 330 Q N 0.549 120.170 119.800 -0.299 0.000 2.084 330 Q HA -0.203 4.138 4.340 0.002 0.000 0.202 330 Q C 1.844 177.755 176.000 -0.147 0.000 0.978 330 Q CA 1.791 57.515 55.803 -0.133 0.000 0.844 330 Q CB -0.126 28.559 28.738 -0.089 0.000 0.898 330 Q HN 0.637 nan 8.270 nan 0.000 0.426 331 K N -1.929 118.332 120.400 -0.232 0.000 2.458 331 K HA 0.272 4.593 4.320 0.002 0.000 0.194 331 K C 0.785 177.259 176.600 -0.210 0.000 1.024 331 K CA 0.561 56.733 56.287 -0.193 0.000 1.108 331 K CB -0.022 32.358 32.500 -0.200 0.000 0.846 331 K HN 0.190 nan 8.250 nan 0.000 0.518 332 G N 0.736 109.366 108.800 -0.284 0.000 2.187 332 G HA2 -0.276 3.685 3.960 0.002 0.000 0.261 332 G HA3 -0.276 3.685 3.960 0.002 0.000 0.261 332 G C -0.195 174.514 174.900 -0.319 0.000 1.000 332 G CA 0.516 45.470 45.100 -0.243 0.000 0.718 332 G HN 0.494 nan 8.290 nan 0.000 0.519 333 V N -1.038 118.530 119.914 -0.578 0.000 3.023 333 V HA 0.717 4.838 4.120 0.002 0.000 0.294 333 V C -1.336 174.295 176.094 -0.772 0.000 1.324 333 V CA -1.492 60.386 62.300 -0.704 0.000 0.979 333 V CB 1.400 32.740 31.823 -0.806 0.000 1.093 333 V HN 0.414 nan 8.190 nan 0.000 0.434 334 F N 4.135 123.776 119.950 -0.516 0.000 2.410 334 F HA 0.660 5.188 4.527 0.002 0.000 0.349 334 F C 0.656 176.209 175.800 -0.411 0.000 1.117 334 F CA -0.194 57.490 58.000 -0.526 0.000 1.104 334 F CB 1.378 39.896 39.000 -0.804 0.000 1.122 334 F HN 0.483 nan 8.300 nan 0.000 0.483 335 E N 1.309 121.505 120.200 -0.007 0.000 2.256 335 E HA 0.713 5.064 4.350 0.002 0.000 0.267 335 E C -0.014 176.680 176.600 0.157 0.000 0.892 335 E CA -0.865 55.536 56.400 0.002 0.000 0.775 335 E CB 2.318 31.990 29.700 -0.046 0.000 1.207 335 E HN 0.819 nan 8.360 nan 0.000 0.420 336 G N 0.566 109.405 108.800 0.065 0.000 2.592 336 G HA2 -0.160 3.801 3.960 0.002 0.000 0.684 336 G HA3 -0.160 3.801 3.960 0.002 0.000 0.684 336 G C -0.302 174.702 174.900 0.174 0.000 1.291 336 G CA -0.519 44.583 45.100 0.002 0.000 0.891 336 G HN 0.619 nan 8.290 nan 0.000 0.544 337 F N -0.780 119.191 119.950 0.036 0.000 3.091 337 F HA -0.061 4.467 4.527 0.002 0.000 0.288 337 F C 2.162 177.998 175.800 0.059 0.000 0.907 337 F CA 2.326 60.373 58.000 0.078 0.000 1.028 337 F CB -1.463 37.599 39.000 0.103 0.000 1.022 337 F HN 2.566 nan 8.300 nan 0.000 0.665 338 G N -0.234 108.647 108.800 0.136 0.000 2.143 338 G HA2 -0.148 3.813 3.960 0.002 0.000 0.248 338 G HA3 -0.148 3.813 3.960 0.002 0.000 0.248 338 G C 0.009 174.946 174.900 0.062 0.000 0.991 338 G CA 0.604 45.761 45.100 0.095 0.000 0.689 338 G HN 1.104 nan 8.290 nan 0.000 0.522 339 Q N -2.431 117.392 119.800 0.038 0.000 2.804 339 Q HA 0.655 4.996 4.340 0.002 0.000 0.302 339 Q C -1.389 174.565 176.000 -0.077 0.000 0.885 339 Q CA -0.899 54.895 55.803 -0.016 0.000 0.759 339 Q CB 0.692 29.417 28.738 -0.021 0.000 1.465 339 Q HN 0.185 nan 8.270 nan 0.000 0.432 340 T N 1.532 116.023 114.554 -0.104 0.000 2.833 340 T HA 0.585 4.936 4.350 0.002 0.000 0.297 340 T C -0.745 173.827 174.700 -0.213 0.000 1.015 340 T CA -0.401 61.589 62.100 -0.184 0.000 0.963 340 T CB 0.204 68.977 68.868 -0.159 0.000 0.955 340 T HN 0.378 nan 8.240 nan 0.000 0.449 341 I N 3.964 124.361 120.570 -0.290 0.000 2.411 341 I HA 0.364 4.535 4.170 0.002 0.000 0.284 341 I C -0.552 175.440 176.117 -0.209 0.000 1.012 341 I CA -0.992 60.196 61.300 -0.186 0.000 1.119 341 I CB 0.985 38.873 38.000 -0.187 0.000 1.261 341 I HN 0.525 nan 8.210 nan 0.000 0.448 342 Y N 4.767 125.038 120.300 -0.049 0.000 2.357 342 Y HA 0.117 4.668 4.550 0.002 0.000 0.340 342 Y C 1.538 177.437 175.900 -0.001 0.000 1.260 342 Y CA -0.151 57.904 58.100 -0.075 0.000 1.425 342 Y CB 0.709 39.139 38.460 -0.050 0.000 1.326 342 Y HN 0.482 nan 8.280 nan 0.000 0.580 343 L N 0.967 122.259 121.223 0.115 0.000 2.129 343 L HA -0.276 4.065 4.340 0.002 0.000 0.212 343 L C 1.543 178.588 176.870 0.292 0.000 1.087 343 L CA 1.790 56.764 54.840 0.223 0.000 0.757 343 L CB -0.548 41.572 42.059 0.101 0.000 0.896 343 L HN 0.728 nan 8.230 nan 0.000 0.434 344 N N -1.524 117.295 118.700 0.198 0.000 2.398 344 N HA -0.073 4.668 4.740 0.002 0.000 0.188 344 N C 0.380 175.986 175.510 0.159 0.000 1.122 344 N CA 0.036 53.178 53.050 0.153 0.000 0.866 344 N CB -0.525 38.011 38.487 0.081 0.000 0.970 344 N HN 0.241 nan 8.380 nan 0.000 0.462 345 D N 0.614 121.130 120.400 0.194 0.000 2.443 345 D HA -0.053 4.588 4.640 0.002 0.000 0.239 345 D C 1.006 177.406 176.300 0.165 0.000 1.136 345 D CA 0.245 54.342 54.000 0.161 0.000 0.879 345 D CB 1.184 42.079 40.800 0.158 0.000 1.195 345 D HN 0.313 nan 8.370 nan 0.000 0.443 346 S N 3.383 119.159 115.700 0.127 0.000 2.400 346 S HA -0.196 4.275 4.470 0.002 0.000 0.232 346 S C 1.359 176.046 174.600 0.144 0.000 1.025 346 S CA 1.009 59.284 58.200 0.126 0.000 0.993 346 S CB -0.048 63.207 63.200 0.091 0.000 0.808 346 S HN 0.508 nan 8.310 nan 0.000 0.478 347 K N 1.200 121.677 120.400 0.129 0.000 2.487 347 K HA 0.394 4.715 4.320 0.002 0.000 0.192 347 K C 2.191 178.883 176.600 0.153 0.000 1.027 347 K CA 0.484 56.845 56.287 0.123 0.000 1.054 347 K CB -0.265 32.285 32.500 0.084 0.000 0.824 347 K HN 0.474 nan 8.250 nan 0.000 0.510 348 A N 1.942 124.885 122.820 0.205 0.000 1.865 348 A HA -0.288 4.033 4.320 0.002 0.000 0.217 348 A C 2.003 179.684 177.584 0.162 0.000 1.191 348 A CA 2.116 54.300 52.037 0.245 0.000 0.623 348 A CB -0.742 18.532 19.000 0.457 0.000 0.826 348 A HN 0.354 nan 8.150 nan 0.000 0.444 349 N N -0.341 118.565 118.700 0.344 0.000 2.094 349 N HA -0.133 4.608 4.740 0.002 0.000 0.191 349 N C 1.865 177.541 175.510 0.277 0.000 1.023 349 N CA 1.904 55.204 53.050 0.417 0.000 0.857 349 N CB -0.187 38.599 38.487 0.498 0.000 1.013 349 N HN 0.357 nan 8.380 nan 0.000 0.426 350 S N -1.009 114.811 115.700 0.200 0.000 2.406 350 S HA -0.019 4.452 4.470 0.002 0.000 0.228 350 S C 1.457 176.048 174.600 -0.015 0.000 1.020 350 S CA 0.353 58.633 58.200 0.133 0.000 0.965 350 S CB -0.367 62.898 63.200 0.109 0.000 0.798 350 S HN 0.456 nan 8.310 nan 0.000 0.488 351 F N 2.457 122.292 119.950 -0.192 0.000 2.102 351 F HA -0.120 4.408 4.527 0.002 0.000 0.298 351 F C 2.257 177.747 175.800 -0.518 0.000 1.105 351 F CA 1.492 59.262 58.000 -0.383 0.000 1.239 351 F CB -0.618 38.086 39.000 -0.494 0.000 0.991 351 F HN 0.091 nan 8.300 nan 0.000 0.474 352 V N 0.097 119.600 119.914 -0.685 0.000 2.427 352 V HA -0.037 4.084 4.120 0.002 0.000 0.248 352 V C 2.296 178.079 176.094 -0.518 0.000 1.051 352 V CA 2.191 64.029 62.300 -0.769 0.000 1.048 352 V CB -1.606 29.740 31.823 -0.794 0.000 0.666 352 V HN 0.376 nan 8.190 nan 0.000 0.456 353 G N 0.427 109.070 108.800 -0.261 0.000 2.402 353 G HA2 -0.226 3.735 3.960 0.002 0.000 0.216 353 G HA3 -0.226 3.735 3.960 0.002 0.000 0.216 353 G C 1.409 176.095 174.900 -0.355 0.000 1.162 353 G CA 0.900 46.018 45.100 0.030 0.000 0.777 353 G HN 0.574 nan 8.290 nan 0.000 0.539 354 N N -0.450 118.037 118.700 -0.354 0.000 2.270 354 N HA -0.075 4.666 4.740 0.002 0.000 0.181 354 N C 1.738 176.919 175.510 -0.548 0.000 1.016 354 N CA 0.751 53.567 53.050 -0.390 0.000 0.870 354 N CB -0.382 37.901 38.487 -0.340 0.000 0.979 354 N HN 0.474 nan 8.380 nan 0.000 0.431 355 Y N 0.081 119.807 120.300 -0.957 0.000 2.133 355 Y HA -0.156 4.395 4.550 0.002 0.000 0.287 355 Y C 1.895 177.431 175.900 -0.608 0.000 1.134 355 Y CA 1.496 58.943 58.100 -1.089 0.000 1.133 355 Y CB -0.740 36.781 38.460 -1.565 0.000 0.987 355 Y HN -0.003 nan 8.280 nan 0.000 0.502 356 W N 0.733 121.730 121.300 -0.505 0.000 2.392 356 W HA -0.176 4.486 4.660 0.002 0.000 0.279 356 W C 2.589 178.942 176.519 -0.276 0.000 1.225 356 W CA 1.475 58.592 57.345 -0.381 0.000 1.233 356 W CB -0.186 29.136 29.460 -0.229 0.000 1.122 356 W HN 0.180 nan 8.180 nan 0.000 0.561 357 Q N 0.398 120.094 119.800 -0.173 0.000 2.408 357 Q HA -0.068 4.274 4.340 0.002 0.000 0.205 357 Q C 0.175 176.190 176.000 0.026 0.000 0.919 357 Q CA 0.808 56.598 55.803 -0.021 0.000 0.932 357 Q CB 0.028 28.705 28.738 -0.101 0.000 1.058 357 Q HN 0.052 nan 8.270 nan 0.000 0.517 358 D N 1.416 121.764 120.400 -0.087 0.000 2.689 358 D HA -0.185 4.456 4.640 0.002 0.000 0.237 358 D C -0.916 175.487 176.300 0.171 0.000 1.148 358 D CA 0.945 54.954 54.000 0.014 0.000 0.656 358 D CB -1.170 39.720 40.800 0.151 0.000 1.050 358 D HN 0.634 nan 8.370 nan 0.000 0.426 359 N N -0.971 117.784 118.700 0.092 0.000 2.405 359 N HA 0.599 5.340 4.740 0.002 0.000 0.269 359 N C 1.485 177.125 175.510 0.216 0.000 1.249 359 N CA -0.087 53.092 53.050 0.216 0.000 0.974 359 N CB 0.319 38.893 38.487 0.145 0.000 1.204 359 N HN 0.017 nan 8.380 nan 0.000 0.565 360 A N -0.400 122.564 122.820 0.241 0.000 1.940 360 A HA -0.187 4.134 4.320 0.002 0.000 0.219 360 A C 1.334 179.022 177.584 0.175 0.000 1.176 360 A CA 1.694 53.886 52.037 0.258 0.000 0.631 360 A CB -0.865 18.263 19.000 0.214 0.000 0.814 360 A HN 0.758 nan 8.150 nan 0.000 0.446 361 D N -0.681 119.755 120.400 0.060 0.000 2.350 361 D HA -0.066 4.575 4.640 0.002 0.000 0.216 361 D C 1.645 177.922 176.300 -0.039 0.000 0.968 361 D CA 0.659 54.665 54.000 0.010 0.000 0.894 361 D CB -0.106 40.677 40.800 -0.029 0.000 0.909 361 D HN 0.420 nan 8.370 nan 0.000 0.520 362 L N -0.454 120.683 121.223 -0.143 0.000 2.156 362 L HA -0.135 4.206 4.340 0.002 0.000 0.208 362 L C 1.305 177.994 176.870 -0.302 0.000 1.095 362 L CA 1.589 56.204 54.840 -0.375 0.000 0.770 362 L CB -0.321 41.314 42.059 -0.707 0.000 0.914 362 L HN -0.046 nan 8.230 nan 0.000 0.439 363 Y N -0.162 120.206 120.300 0.114 0.000 2.462 363 Y HA 0.459 5.010 4.550 0.002 0.000 0.261 363 Y C 1.755 177.728 175.900 0.121 0.000 1.146 363 Y CA -0.056 58.139 58.100 0.159 0.000 1.283 363 Y CB -0.225 38.328 38.460 0.155 0.000 1.090 363 Y HN 0.175 nan 8.280 nan 0.000 0.526 364 G N 1.400 110.320 108.800 0.200 0.000 2.246 364 G HA2 -0.268 3.693 3.960 0.002 0.000 0.273 364 G HA3 -0.268 3.693 3.960 0.002 0.000 0.273 364 G C 0.014 175.005 174.900 0.152 0.000 1.055 364 G CA 0.513 45.699 45.100 0.143 0.000 0.851 364 G HN 0.504 nan 8.290 nan 0.000 0.500 365 E N -1.594 118.713 120.200 0.178 0.000 2.355 365 E HA 0.626 4.977 4.350 0.002 0.000 0.261 365 E C 0.645 177.339 176.600 0.158 0.000 0.943 365 E CA -0.731 55.769 56.400 0.167 0.000 0.806 365 E CB 1.161 30.971 29.700 0.183 0.000 1.286 365 E HN 0.029 nan 8.360 nan 0.000 0.424 366 E N 0.131 120.446 120.200 0.191 0.000 2.060 366 E HA -0.013 4.338 4.350 0.002 0.000 0.189 366 E C 0.671 177.493 176.600 0.371 0.000 0.974 366 E CA 1.222 57.770 56.400 0.247 0.000 0.808 366 E CB 0.573 30.471 29.700 0.330 0.000 0.768 366 E HN 0.418 nan 8.360 nan 0.000 0.453 367 V N -0.755 119.380 119.914 0.369 0.000 3.040 367 V HA 0.462 4.583 4.120 0.002 0.000 0.312 367 V C -0.031 176.211 176.094 0.247 0.000 1.115 367 V CA -0.660 61.881 62.300 0.402 0.000 0.998 367 V CB 1.212 33.274 31.823 0.398 0.000 1.042 367 V HN 0.175 nan 8.190 nan 0.000 0.433 368 T N 0.641 115.341 114.554 0.244 0.000 2.899 368 T HA 0.628 4.979 4.350 0.002 0.000 0.295 368 T C -0.281 174.408 174.700 -0.018 0.000 1.033 368 T CA -0.456 61.723 62.100 0.133 0.000 1.084 368 T CB 0.942 69.961 68.868 0.252 0.000 0.979 368 T HN 0.794 nan 8.240 nan 0.000 0.532 369 K N 1.103 121.369 120.400 -0.222 0.000 2.123 369 K HA 0.395 4.716 4.320 0.002 0.000 0.248 369 K C 0.817 177.202 176.600 -0.358 0.000 0.969 369 K CA -0.830 55.246 56.287 -0.352 0.000 0.882 369 K CB 0.914 33.005 32.500 -0.681 0.000 1.080 369 K HN 0.463 nan 8.250 nan 0.000 0.441 370 D N 0.497 120.765 120.400 -0.220 0.000 2.158 370 D HA -0.206 4.435 4.640 0.002 0.000 0.197 370 D C 1.415 177.653 176.300 -0.103 0.000 0.995 370 D CA 1.695 55.627 54.000 -0.112 0.000 0.846 370 D CB -0.119 40.664 40.800 -0.030 0.000 0.941 370 D HN 0.679 nan 8.370 nan 0.000 0.456 371 Y N 0.032 120.300 120.300 -0.053 0.000 2.529 371 Y HA 0.233 4.784 4.550 0.002 0.000 0.290 371 Y C 0.446 176.312 175.900 -0.057 0.000 1.177 371 Y CA -0.206 57.855 58.100 -0.066 0.000 1.305 371 Y CB -0.744 37.676 38.460 -0.068 0.000 1.047 371 Y HN -0.174 nan 8.280 nan 0.000 0.522 372 Q N 2.470 122.101 119.800 -0.281 0.000 2.835 372 Q HA 0.155 4.496 4.340 0.002 0.000 0.235 372 Q C -0.364 175.687 176.000 0.085 0.000 1.313 372 Q CA -0.356 55.386 55.803 -0.102 0.000 1.053 372 Q CB 0.397 28.918 28.738 -0.362 0.000 1.443 372 Q HN 0.335 nan 8.270 nan 0.000 0.576 373 R N 1.178 121.731 120.500 0.089 0.000 2.537 373 R HA -0.005 4.336 4.340 0.002 0.000 0.281 373 R C -0.353 176.096 176.300 0.248 0.000 0.988 373 R CA 0.420 56.530 56.100 0.018 0.000 1.077 373 R CB 0.489 30.577 30.300 -0.353 0.000 0.932 373 R HN 0.264 nan 8.270 nan 0.000 0.409 374 S N 3.520 119.303 115.700 0.139 0.000 2.442 374 S HA 0.088 4.559 4.470 0.002 0.000 0.297 374 S C 0.554 175.199 174.600 0.076 0.000 1.131 374 S CA -0.813 57.465 58.200 0.130 0.000 1.092 374 S CB 0.727 63.951 63.200 0.041 0.000 0.998 374 S HN 0.666 nan 8.310 nan 0.000 0.478 375 Y N 4.530 124.598 120.300 -0.386 0.000 2.128 375 Y HA -0.137 4.414 4.550 0.002 0.000 0.284 375 Y C 1.934 177.652 175.900 -0.304 0.000 1.154 375 Y CA 2.394 60.095 58.100 -0.664 0.000 1.149 375 Y CB -0.167 37.447 38.460 -1.410 0.000 0.976 375 Y HN 0.841 nan 8.280 nan 0.000 0.505 376 E N 0.032 120.134 120.200 -0.162 0.000 2.077 376 E HA -0.211 4.140 4.350 0.002 0.000 0.193 376 E C 2.247 178.659 176.600 -0.313 0.000 0.989 376 E CA 1.701 57.975 56.400 -0.211 0.000 0.800 376 E CB -0.248 29.447 29.700 -0.009 0.000 0.746 376 E HN 0.565 nan 8.360 nan 0.000 0.452 377 I N 0.683 121.105 120.570 -0.247 0.000 2.315 377 I HA -0.203 3.968 4.170 0.002 0.000 0.248 377 I C 2.332 178.255 176.117 -0.323 0.000 1.117 377 I CA 0.682 61.807 61.300 -0.291 0.000 1.404 377 I CB -0.132 37.792 38.000 -0.127 0.000 1.071 377 I HN -0.020 nan 8.210 nan 0.000 0.419 378 V N 1.071 120.832 119.914 -0.255 0.000 2.453 378 V HA -0.193 3.929 4.120 0.002 0.000 0.247 378 V C 2.736 178.622 176.094 -0.346 0.000 1.048 378 V CA 1.757 63.907 62.300 -0.250 0.000 1.049 378 V CB -0.845 30.927 31.823 -0.084 0.000 0.672 378 V HN 0.450 nan 8.190 nan 0.000 0.457 379 A N 0.250 122.796 122.820 -0.457 0.000 1.933 379 A HA -0.225 4.096 4.320 0.002 0.000 0.218 379 A C 2.365 179.799 177.584 -0.249 0.000 1.175 379 A CA 1.795 53.599 52.037 -0.389 0.000 0.628 379 A CB -0.459 18.274 19.000 -0.446 0.000 0.814 379 A HN 0.519 nan 8.150 nan 0.000 0.444 380 R N -0.956 119.333 120.500 -0.352 0.000 2.115 380 R HA -0.119 4.222 4.340 0.002 0.000 0.230 380 R C 2.485 178.597 176.300 -0.314 0.000 1.111 380 R CA 1.368 57.244 56.100 -0.374 0.000 0.976 380 R CB -0.281 29.645 30.300 -0.623 0.000 0.870 380 R HN 0.746 nan 8.270 nan 0.000 0.445 381 Q N 0.571 120.183 119.800 -0.312 0.000 2.020 381 Q HA -0.148 4.193 4.340 0.002 0.000 0.202 381 Q C 2.218 178.130 176.000 -0.146 0.000 0.982 381 Q CA 2.033 57.692 55.803 -0.239 0.000 0.838 381 Q CB 0.061 28.653 28.738 -0.243 0.000 0.899 381 Q HN 0.341 nan 8.270 nan 0.000 0.423 382 V N -1.142 118.696 119.914 -0.127 0.000 2.591 382 V HA -0.116 4.006 4.120 0.002 0.000 0.249 382 V C 1.908 178.045 176.094 0.071 0.000 1.053 382 V CA 1.187 63.477 62.300 -0.018 0.000 1.068 382 V CB -0.368 31.430 31.823 -0.043 0.000 0.689 382 V HN 0.346 nan 8.190 nan 0.000 0.462 383 L N 1.165 122.397 121.223 0.015 0.000 2.217 383 L HA 0.125 4.466 4.340 0.002 0.000 0.211 383 L C 2.742 179.543 176.870 -0.115 0.000 1.107 383 L CA 1.320 56.142 54.840 -0.030 0.000 0.783 383 L CB -1.067 40.917 42.059 -0.125 0.000 0.919 383 L HN 0.508 nan 8.230 nan 0.000 0.442 384 G N -0.731 107.992 108.800 -0.128 0.000 2.509 384 G HA2 -0.049 3.912 3.960 0.002 0.000 0.218 384 G HA3 -0.049 3.912 3.960 0.002 0.000 0.218 384 G C 1.224 176.021 174.900 -0.172 0.000 1.124 384 G CA 0.543 45.561 45.100 -0.137 0.000 0.776 384 G HN 0.487 nan 8.290 nan 0.000 0.547 385 A N -2.095 120.615 122.820 -0.184 0.000 2.816 385 A HA 0.038 4.359 4.320 0.002 0.000 0.270 385 A C 1.121 178.621 177.584 -0.140 0.000 1.413 385 A CA 1.354 53.225 52.037 -0.276 0.000 0.866 385 A CB -1.868 16.646 19.000 -0.810 0.000 1.032 385 A HN 1.846 nan 8.150 nan 0.000 0.642 386 A N 0.348 123.127 122.820 -0.068 0.000 2.327 386 A HA 0.652 4.974 4.320 0.002 0.000 0.283 386 A C -1.185 176.409 177.584 0.016 0.000 1.127 386 A CA -0.883 51.143 52.037 -0.018 0.000 0.810 386 A CB 0.114 19.123 19.000 0.016 0.000 1.066 386 A HN 0.545 nan 8.150 nan 0.000 0.492 387 P HA 0.165 nan 4.420 nan 0.000 0.271 387 P C -0.598 176.736 177.300 0.056 0.000 1.218 387 P CA -0.383 62.742 63.100 0.042 0.000 0.780 387 P CB 0.481 32.211 31.700 0.049 0.000 0.901 388 K N 2.670 123.093 120.400 0.039 0.000 2.550 388 K HA 0.076 4.397 4.320 0.002 0.000 0.280 388 K C -2.128 174.524 176.600 0.086 0.000 0.987 388 K CA -1.006 55.305 56.287 0.041 0.000 1.048 388 K CB -1.284 31.219 32.500 0.006 0.000 0.879 388 K HN 0.282 nan 8.250 nan 0.000 0.491 389 P HA -0.130 nan 4.420 nan 0.000 0.263 389 P C -0.152 177.244 177.300 0.159 0.000 1.175 389 P CA -0.005 63.196 63.100 0.168 0.000 0.761 389 P CB 0.245 32.035 31.700 0.149 0.000 0.794 390 F N 2.927 122.904 119.950 0.045 0.000 2.095 390 F HA -0.200 4.328 4.527 0.002 0.000 0.298 390 F C 0.867 176.671 175.800 0.007 0.000 1.104 390 F CA 1.888 59.899 58.000 0.018 0.000 1.232 390 F CB 0.245 39.250 39.000 0.009 0.000 0.987 390 F HN 0.416 nan 8.300 nan 0.000 0.475 391 D N -2.073 118.387 120.400 0.099 0.000 2.692 391 D HA 0.095 4.736 4.640 0.002 0.000 0.303 391 D C 0.196 176.511 176.300 0.026 0.000 1.278 391 D CA -0.334 53.642 54.000 -0.041 0.000 0.852 391 D CB 0.467 41.215 40.800 -0.088 0.000 1.375 391 D HN 0.101 nan 8.370 nan 0.000 0.453 392 K N -0.668 119.682 120.400 -0.083 0.000 2.286 392 K HA -0.170 4.151 4.320 0.002 0.000 0.203 392 K C 0.795 177.441 176.600 0.076 0.000 1.045 392 K CA 1.348 57.579 56.287 -0.093 0.000 0.935 392 K CB -0.413 31.923 32.500 -0.273 0.000 0.737 392 K HN 0.542 nan 8.250 nan 0.000 0.460 393 Y N 0.690 121.047 120.300 0.095 0.000 2.442 393 Y HA 0.151 4.702 4.550 0.002 0.000 0.250 393 Y C 0.174 176.167 175.900 0.155 0.000 1.113 393 Y CA -0.806 57.369 58.100 0.125 0.000 1.273 393 Y CB 1.280 39.800 38.460 0.100 0.000 1.138 393 Y HN -0.065 nan 8.280 nan 0.000 0.522 394 T N 2.652 117.398 114.554 0.319 0.000 2.786 394 T HA 0.452 4.803 4.350 0.002 0.000 0.283 394 T C -0.990 173.855 174.700 0.241 0.000 0.992 394 T CA -0.407 61.809 62.100 0.195 0.000 0.954 394 T CB 0.773 69.751 68.868 0.183 0.000 0.934 394 T HN 0.150 nan 8.240 nan 0.000 0.440 395 F N 0.240 120.165 119.950 -0.041 0.000 2.654 395 F HA 0.664 5.192 4.527 0.002 0.000 0.308 395 F C -0.963 174.797 175.800 -0.067 0.000 1.108 395 F CA -1.699 56.253 58.000 -0.079 0.000 0.957 395 F CB 1.691 40.535 39.000 -0.260 0.000 1.309 395 F HN 0.443 nan 8.300 nan 0.000 0.446 396 M N 5.845 125.457 119.600 0.020 0.000 2.108 396 M HA 0.394 4.876 4.480 0.002 0.000 0.347 396 M C -2.547 173.743 176.300 -0.016 0.000 1.326 396 M CA -1.768 53.492 55.300 -0.067 0.000 1.126 396 M CB 1.030 33.634 32.600 0.007 0.000 1.606 396 M HN 0.471 nan 8.290 nan 0.000 0.462 397 P HA 0.189 nan 4.420 nan 0.000 0.274 397 P C -1.301 175.793 177.300 -0.344 0.000 1.231 397 P CA -0.250 62.712 63.100 -0.228 0.000 0.790 397 P CB 1.138 32.542 31.700 -0.492 0.000 0.951 398 S N 0.325 115.952 115.700 -0.121 0.000 2.715 398 S HA 0.611 5.082 4.470 0.002 0.000 0.307 398 S C 1.195 175.954 174.600 0.265 0.000 1.119 398 S CA -0.265 57.973 58.200 0.064 0.000 0.937 398 S CB 1.192 64.397 63.200 0.007 0.000 1.150 398 S HN 0.425 nan 8.310 nan 0.000 0.521 399 A N -0.097 122.945 122.820 0.369 0.000 2.121 399 A HA 0.129 4.451 4.320 0.002 0.000 0.218 399 A C 1.585 179.280 177.584 0.185 0.000 1.154 399 A CA 0.797 53.054 52.037 0.367 0.000 0.679 399 A CB -0.813 18.304 19.000 0.195 0.000 0.795 399 A HN 0.635 nan 8.150 nan 0.000 0.458 400 L N -0.191 121.053 121.223 0.035 0.000 2.599 400 L HA 0.079 4.420 4.340 0.002 0.000 0.230 400 L C 0.753 177.473 176.870 -0.251 0.000 1.141 400 L CA 1.005 55.778 54.840 -0.113 0.000 0.877 400 L CB -0.277 41.672 42.059 -0.185 0.000 1.009 400 L HN 0.273 nan 8.230 nan 0.000 0.447 401 D N -1.126 119.171 120.400 -0.173 0.000 2.339 401 D HA 0.097 4.738 4.640 0.002 0.000 0.217 401 D C -0.283 175.703 176.300 -0.523 0.000 1.050 401 D CA 0.437 54.225 54.000 -0.353 0.000 0.856 401 D CB 0.380 40.836 40.800 -0.574 0.000 0.922 401 D HN 0.109 nan 8.370 nan 0.000 0.518 402 F N -1.180 118.904 119.950 0.223 0.000 2.578 402 F HA 0.223 4.751 4.527 0.002 0.000 0.311 402 F C 0.500 176.382 175.800 0.135 0.000 1.094 402 F CA -1.027 57.080 58.000 0.179 0.000 0.923 402 F CB 0.925 39.996 39.000 0.118 0.000 1.230 402 F HN -0.275 nan 8.300 nan 0.000 0.450 403 Y N 0.496 121.014 120.300 0.363 0.000 2.509 403 Y HA -0.119 4.432 4.550 0.002 0.000 0.293 403 Y C 2.253 178.350 175.900 0.329 0.000 1.133 403 Y CA 0.924 59.186 58.100 0.270 0.000 1.283 403 Y CB 0.093 38.559 38.460 0.009 0.000 1.001 403 Y HN 0.524 nan 8.280 nan 0.000 0.555 404 Q N -0.563 119.437 119.800 0.334 0.000 2.403 404 Q HA 0.019 4.360 4.340 0.002 0.000 0.203 404 Q C 0.914 176.762 176.000 -0.253 0.000 0.932 404 Q CA 1.376 57.185 55.803 0.009 0.000 0.945 404 Q CB -0.395 28.182 28.738 -0.268 0.000 1.045 404 Q HN 0.510 nan 8.270 nan 0.000 0.511 405 T N -4.731 109.801 114.554 -0.037 0.000 3.087 405 T HA 0.263 4.615 4.350 0.002 0.000 0.283 405 T C 1.428 176.093 174.700 -0.058 0.000 0.956 405 T CA 0.180 62.225 62.100 -0.091 0.000 0.894 405 T CB 0.221 69.101 68.868 0.019 0.000 1.160 405 T HN 0.030 nan 8.240 nan 0.000 0.532 406 S N 2.032 117.698 115.700 -0.055 0.000 2.368 406 S HA 0.030 4.501 4.470 0.002 0.000 0.225 406 S C 1.533 175.763 174.600 -0.617 0.000 1.030 406 S CA 0.996 59.052 58.200 -0.240 0.000 0.999 406 S CB -0.439 62.653 63.200 -0.180 0.000 0.844 406 S HN 0.298 nan 8.310 nan 0.000 0.459 407 L N 1.444 122.203 121.223 -0.773 0.000 2.633 407 L HA 0.084 4.425 4.340 0.002 0.000 0.235 407 L C 2.117 178.818 176.870 -0.282 0.000 1.163 407 L CA 1.106 55.460 54.840 -0.810 0.000 0.859 407 L CB -0.651 41.054 42.059 -0.591 0.000 0.973 407 L HN 0.160 nan 8.230 nan 0.000 0.451 408 R N -1.090 119.269 120.500 -0.235 0.000 2.153 408 R HA -0.009 4.333 4.340 0.002 0.000 0.218 408 R C 0.457 176.601 176.300 -0.259 0.000 1.072 408 R CA 0.312 56.343 56.100 -0.115 0.000 0.990 408 R CB 0.045 30.320 30.300 -0.043 0.000 0.889 408 R HN 0.214 nan 8.270 nan 0.000 0.452 409 D N 0.349 120.491 120.400 -0.430 0.000 2.313 409 D HA 0.090 4.731 4.640 0.002 0.000 0.239 409 D C -1.902 174.336 176.300 -0.103 0.000 1.142 409 D CA -2.363 51.300 54.000 -0.562 0.000 0.847 409 D CB 1.778 42.313 40.800 -0.442 0.000 1.082 409 D HN -0.180 nan 8.370 nan 0.000 0.480 410 P HA -0.155 nan 4.420 nan 0.000 0.216 410 P C 1.239 178.613 177.300 0.124 0.000 1.150 410 P CA 1.686 64.905 63.100 0.197 0.000 0.843 410 P CB 0.113 31.899 31.700 0.143 0.000 0.787 411 T N -4.406 110.123 114.554 -0.040 0.000 3.035 411 T HA -0.137 4.214 4.350 0.002 0.000 0.268 411 T C 1.556 176.145 174.700 -0.185 0.000 1.109 411 T CA 0.274 62.269 62.100 -0.175 0.000 1.119 411 T CB -1.325 67.368 68.868 -0.291 0.000 0.900 411 T HN 0.028 nan 8.240 nan 0.000 0.503 412 F N 2.120 121.906 119.950 -0.273 0.000 2.069 412 F HA -0.100 4.428 4.527 0.002 0.000 0.298 412 F C 1.917 177.533 175.800 -0.307 0.000 1.113 412 F CA 1.012 58.808 58.000 -0.341 0.000 1.214 412 F CB -0.640 38.000 39.000 -0.600 0.000 0.978 412 F HN 0.136 nan 8.300 nan 0.000 0.474 413 Y N 0.661 120.808 120.300 -0.255 0.000 2.274 413 Y HA -0.188 4.363 4.550 0.002 0.000 0.290 413 Y C 2.606 178.334 175.900 -0.286 0.000 1.145 413 Y CA 1.578 59.437 58.100 -0.402 0.000 1.203 413 Y CB -1.089 37.008 38.460 -0.606 0.000 0.984 413 Y HN 0.228 nan 8.280 nan 0.000 0.533 414 Q N -0.500 119.262 119.800 -0.062 0.000 2.119 414 Q HA -0.148 4.193 4.340 0.002 0.000 0.201 414 Q C 2.195 178.190 176.000 -0.008 0.000 0.972 414 Q CA 1.297 57.091 55.803 -0.016 0.000 0.847 414 Q CB -0.288 28.422 28.738 -0.046 0.000 0.903 414 Q HN 0.444 nan 8.270 nan 0.000 0.433 415 L N -0.578 120.526 121.223 -0.200 0.000 2.005 415 L HA -0.170 4.171 4.340 0.002 0.000 0.207 415 L C 1.757 178.358 176.870 -0.449 0.000 1.072 415 L CA 1.868 56.556 54.840 -0.254 0.000 0.744 415 L CB -0.658 41.118 42.059 -0.471 0.000 0.895 415 L HN 0.142 nan 8.230 nan 0.000 0.433 416 Y N -0.062 119.943 120.300 -0.490 0.000 2.373 416 Y HA -0.144 4.407 4.550 0.002 0.000 0.293 416 Y C 2.652 178.323 175.900 -0.382 0.000 1.129 416 Y CA 1.530 59.299 58.100 -0.551 0.000 1.226 416 Y CB -0.688 37.238 38.460 -0.890 0.000 1.000 416 Y HN 0.456 nan 8.280 nan 0.000 0.549 417 N N 0.847 119.435 118.700 -0.187 0.000 2.244 417 N HA -0.196 4.545 4.740 0.002 0.000 0.183 417 N C 2.161 177.545 175.510 -0.209 0.000 1.016 417 N CA 0.756 53.712 53.050 -0.157 0.000 0.866 417 N CB -0.081 38.346 38.487 -0.101 0.000 0.980 417 N HN 0.356 nan 8.380 nan 0.000 0.430 418 R N 0.696 121.063 120.500 -0.223 0.000 2.075 418 R HA -0.006 4.335 4.340 0.002 0.000 0.232 418 R C 2.333 178.392 176.300 -0.402 0.000 1.126 418 R CA 0.821 56.732 56.100 -0.315 0.000 0.963 418 R CB -0.165 29.991 30.300 -0.239 0.000 0.858 418 R HN 0.237 nan 8.270 nan 0.000 0.435 419 I N 0.883 121.229 120.570 -0.373 0.000 2.202 419 I HA -0.268 3.903 4.170 0.002 0.000 0.242 419 I C 2.038 177.923 176.117 -0.388 0.000 1.091 419 I CA 0.819 61.763 61.300 -0.593 0.000 1.368 419 I CB -0.161 37.548 38.000 -0.486 0.000 1.058 419 I HN 0.198 nan 8.210 nan 0.000 0.410 420 I N 1.001 121.468 120.570 -0.171 0.000 2.614 420 I HA -0.131 4.040 4.170 0.002 0.000 0.258 420 I C 2.617 178.758 176.117 0.040 0.000 1.189 420 I CA 1.270 62.584 61.300 0.024 0.000 1.462 420 I CB -1.919 36.044 38.000 -0.061 0.000 1.092 420 I HN 0.220 nan 8.210 nan 0.000 0.442 421 G N -0.005 108.710 108.800 -0.142 0.000 2.418 421 G HA2 -0.276 3.685 3.960 0.002 0.000 0.217 421 G HA3 -0.276 3.685 3.960 0.002 0.000 0.217 421 G C 1.563 176.441 174.900 -0.037 0.000 1.158 421 G CA 0.481 45.483 45.100 -0.163 0.000 0.771 421 G HN 0.263 nan 8.290 nan 0.000 0.545 422 Y N -0.763 119.528 120.300 -0.015 0.000 2.242 422 Y HA 0.111 4.662 4.550 0.002 0.000 0.291 422 Y C 2.367 178.513 175.900 0.410 0.000 1.137 422 Y CA 0.178 58.362 58.100 0.139 0.000 1.181 422 Y CB -0.579 37.749 38.460 -0.220 0.000 0.989 422 Y HN 0.181 nan 8.280 nan 0.000 0.527 423 F N 1.177 121.324 119.950 0.329 0.000 2.146 423 F HA -0.194 4.334 4.527 0.002 0.000 0.298 423 F C 1.923 178.100 175.800 0.627 0.000 1.096 423 F CA 1.310 59.638 58.000 0.547 0.000 1.275 423 F CB -0.550 38.759 39.000 0.515 0.000 1.008 423 F HN 0.034 nan 8.300 nan 0.000 0.480 424 N N 0.043 119.186 118.700 0.739 0.000 2.309 424 N HA -0.137 4.604 4.740 0.002 0.000 0.182 424 N C 1.787 177.657 175.510 0.598 0.000 1.018 424 N CA 0.879 54.315 53.050 0.644 0.000 0.876 424 N CB -0.385 38.301 38.487 0.331 0.000 0.972 424 N HN 0.502 nan 8.380 nan 0.000 0.434 425 Q N -0.386 119.750 119.800 0.561 0.000 2.083 425 Q HA -0.065 4.276 4.340 0.002 0.000 0.198 425 Q C 1.747 178.150 176.000 0.671 0.000 0.969 425 Q CA 0.763 56.888 55.803 0.538 0.000 0.838 425 Q CB -0.229 28.828 28.738 0.532 0.000 0.900 425 Q HN 0.355 nan 8.270 nan 0.000 0.436 426 F N 2.156 122.484 119.950 0.630 0.000 2.126 426 F HA -0.196 4.332 4.527 0.002 0.000 0.299 426 F C 1.689 177.812 175.800 0.538 0.000 1.096 426 F CA 1.491 59.814 58.000 0.539 0.000 1.255 426 F CB -0.048 39.299 39.000 0.579 0.000 0.997 426 F HN -0.172 nan 8.300 nan 0.000 0.479 427 K N 0.285 120.769 120.400 0.139 0.000 2.360 427 K HA -0.189 4.133 4.320 0.002 0.000 0.201 427 K C 1.857 178.381 176.600 -0.126 0.000 1.046 427 K CA 1.333 57.551 56.287 -0.115 0.000 0.945 427 K CB -0.320 32.273 32.500 0.154 0.000 0.750 427 K HN 0.637 nan 8.250 nan 0.000 0.464 428 Q N -0.856 118.964 119.800 0.032 0.000 2.444 428 Q HA -0.074 4.267 4.340 0.002 0.000 0.206 428 Q C 0.579 176.438 176.000 -0.235 0.000 0.948 428 Q CA 0.826 56.562 55.803 -0.111 0.000 0.946 428 Q CB 0.040 28.741 28.738 -0.061 0.000 1.027 428 Q HN 0.356 nan 8.270 nan 0.000 0.513 429 Y N 0.732 120.920 120.300 -0.186 0.000 2.462 429 Y HA 0.286 4.838 4.550 0.002 0.000 0.261 429 Y C 0.742 176.527 175.900 -0.192 0.000 1.146 429 Y CA -0.195 57.808 58.100 -0.162 0.000 1.283 429 Y CB 0.575 38.956 38.460 -0.133 0.000 1.090 429 Y HN 0.027 nan 8.280 nan 0.000 0.526 430 L N 0.083 121.221 121.223 -0.141 0.000 2.431 430 L HA 0.254 4.596 4.340 0.002 0.000 0.260 430 L C 0.418 177.207 176.870 -0.135 0.000 1.098 430 L CA -1.081 53.675 54.840 -0.139 0.000 0.800 430 L CB 0.685 42.623 42.059 -0.201 0.000 1.210 430 L HN -0.040 nan 8.230 nan 0.000 0.465 431 E N 3.259 123.402 120.200 -0.094 0.000 2.415 431 E HA 0.084 4.435 4.350 0.002 0.000 0.260 431 E C -2.304 174.205 176.600 -0.151 0.000 1.016 431 E CA -1.129 55.218 56.400 -0.089 0.000 0.924 431 E CB 0.483 30.161 29.700 -0.036 0.000 0.961 431 E HN 0.142 nan 8.360 nan 0.000 0.459 432 P HA 0.081 nan 4.420 nan 0.000 0.278 432 P C -0.931 176.277 177.300 -0.153 0.000 1.238 432 P CA -0.245 62.693 63.100 -0.270 0.000 0.794 432 P CB 0.516 32.071 31.700 -0.241 0.000 0.955 433 H N 0.170 119.158 119.070 -0.137 0.000 3.070 433 H HA 0.096 4.653 4.556 0.002 0.000 0.313 433 H C 1.082 176.362 175.328 -0.080 0.000 0.997 433 H CA -0.271 55.722 56.048 -0.092 0.000 1.438 433 H CB 0.194 29.881 29.762 -0.125 0.000 1.455 433 H HN 0.432 nan 8.280 nan 0.000 0.575 434 S N 3.016 118.768 115.700 0.088 0.000 2.592 434 S HA -0.004 4.467 4.470 0.002 0.000 0.271 434 S C 1.247 175.881 174.600 0.056 0.000 1.326 434 S CA -1.044 57.184 58.200 0.046 0.000 1.024 434 S CB 1.594 64.819 63.200 0.042 0.000 0.921 434 S HN 0.646 nan 8.310 nan 0.000 0.527 435 Q N 1.021 120.850 119.800 0.048 0.000 2.135 435 Q HA -0.162 4.179 4.340 0.002 0.000 0.204 435 Q C 1.989 178.056 176.000 0.112 0.000 0.981 435 Q CA 1.755 57.597 55.803 0.066 0.000 0.856 435 Q CB -0.538 28.234 28.738 0.056 0.000 0.902 435 Q HN 0.967 nan 8.270 nan 0.000 0.425 436 E N 1.017 121.281 120.200 0.107 0.000 2.077 436 E HA -0.180 4.171 4.350 0.002 0.000 0.193 436 E C 1.535 178.214 176.600 0.132 0.000 0.989 436 E CA 0.986 57.469 56.400 0.138 0.000 0.800 436 E CB 0.171 29.928 29.700 0.096 0.000 0.746 436 E HN 0.281 nan 8.360 nan 0.000 0.452 437 K N -0.106 120.349 120.400 0.093 0.000 2.217 437 K HA -0.099 4.222 4.320 0.002 0.000 0.202 437 K C 1.978 178.644 176.600 0.110 0.000 1.051 437 K CA 0.417 56.747 56.287 0.071 0.000 0.952 437 K CB 0.087 32.612 32.500 0.043 0.000 0.736 437 K HN 0.097 nan 8.250 nan 0.000 0.453 438 L N 0.305 121.612 121.223 0.140 0.000 2.270 438 L HA -0.014 4.327 4.340 0.002 0.000 0.210 438 L C 1.089 178.144 176.870 0.308 0.000 1.104 438 L CA 1.031 55.998 54.840 0.211 0.000 0.804 438 L CB -0.618 41.513 42.059 0.120 0.000 0.937 438 L HN 0.218 nan 8.230 nan 0.000 0.450 439 H N -0.737 118.419 119.070 0.143 0.000 2.803 439 H HA -0.022 4.535 4.556 0.002 0.000 0.330 439 H C -0.819 174.621 175.328 0.188 0.000 1.057 439 H CA -0.488 55.656 56.048 0.159 0.000 1.458 439 H CB 0.489 30.326 29.762 0.126 0.000 1.470 439 H HN -0.060 nan 8.280 nan 0.000 0.560 440 F N 7.532 127.563 119.950 0.134 0.000 2.293 440 F HA 0.130 4.658 4.527 0.002 0.000 0.370 440 F C -0.491 175.167 175.800 -0.236 0.000 1.090 440 F CA -1.251 56.710 58.000 -0.066 0.000 1.133 440 F CB -0.189 38.802 39.000 -0.015 0.000 1.360 440 F HN 0.368 nan 8.300 nan 0.000 0.489 441 V N 3.985 123.813 119.914 -0.144 0.000 2.557 441 V HA 0.448 4.569 4.120 0.002 0.000 0.301 441 V C 0.984 177.060 176.094 -0.031 0.000 1.026 441 V CA 0.479 62.633 62.300 -0.244 0.000 1.137 441 V CB 0.067 31.783 31.823 -0.178 0.000 0.917 441 V HN 1.268 nan 8.190 nan 0.000 0.484 442 G N 2.616 111.402 108.800 -0.023 0.000 2.199 442 G HA2 -0.176 3.785 3.960 0.002 0.000 0.254 442 G HA3 -0.176 3.785 3.960 0.002 0.000 0.254 442 G C 0.039 174.839 174.900 -0.165 0.000 0.982 442 G CA -0.047 45.014 45.100 -0.066 0.000 0.632 442 G HN 1.415 nan 8.290 nan 0.000 0.529 443 V N 0.997 120.755 119.914 -0.261 0.000 2.459 443 V HA 0.743 4.864 4.120 0.002 0.000 0.295 443 V C 0.186 176.212 176.094 -0.112 0.000 1.029 443 V CA -0.389 61.697 62.300 -0.357 0.000 0.874 443 V CB 1.832 33.114 31.823 -0.902 0.000 0.985 443 V HN 0.426 nan 8.190 nan 0.000 0.438 444 K N 3.424 123.780 120.400 -0.073 0.000 2.513 444 K HA 0.610 4.931 4.320 0.002 0.000 0.251 444 K C -1.698 174.904 176.600 0.003 0.000 0.939 444 K CA -0.588 55.705 56.287 0.011 0.000 0.793 444 K CB 2.385 34.906 32.500 0.036 0.000 1.241 444 K HN 0.442 nan 8.250 nan 0.000 0.431 445 V N 5.242 125.184 119.914 0.047 0.000 2.353 445 V HA 0.081 4.202 4.120 0.002 0.000 0.264 445 V C 0.784 176.863 176.094 -0.024 0.000 1.049 445 V CA -0.533 61.768 62.300 0.001 0.000 0.896 445 V CB 0.780 32.642 31.823 0.065 0.000 1.025 445 V HN 0.778 nan 8.190 nan 0.000 0.475 446 N N 3.533 122.175 118.700 -0.097 0.000 2.250 446 N HA 0.006 4.747 4.740 0.002 0.000 0.181 446 N C 0.574 175.917 175.510 -0.279 0.000 1.017 446 N CA 0.767 53.768 53.050 -0.082 0.000 0.866 446 N CB 0.103 38.561 38.487 -0.049 0.000 0.985 446 N HN 0.690 nan 8.380 nan 0.000 0.429 447 N N -1.116 117.266 118.700 -0.530 0.000 2.859 447 N HA 0.322 5.063 4.740 0.002 0.000 0.250 447 N C -2.138 172.946 175.510 -0.710 0.000 1.341 447 N CA -0.417 52.151 53.050 -0.803 0.000 0.881 447 N CB 1.739 40.058 38.487 -0.279 0.000 1.516 447 N HN -0.330 nan 8.380 nan 0.000 0.503 448 V N 1.239 120.782 119.914 -0.619 0.000 2.733 448 V HA 0.597 4.718 4.120 0.002 0.000 0.306 448 V C -0.899 175.218 176.094 0.038 0.000 1.084 448 V CA -0.689 61.519 62.300 -0.154 0.000 0.905 448 V CB 1.804 33.671 31.823 0.074 0.000 1.010 448 V HN 0.475 nan 8.190 nan 0.000 0.424 449 V N 5.054 124.998 119.914 0.049 0.000 2.588 449 V HA 0.596 4.717 4.120 0.002 0.000 0.304 449 V C -0.483 175.648 176.094 0.061 0.000 1.042 449 V CA -0.630 61.706 62.300 0.061 0.000 0.877 449 V CB 2.180 34.026 31.823 0.039 0.000 0.996 449 V HN 0.612 nan 8.190 nan 0.000 0.425 450 V N 3.467 123.393 119.914 0.020 0.000 2.495 450 V HA 0.443 4.564 4.120 0.002 0.000 0.298 450 V C -0.167 175.904 176.094 -0.037 0.000 1.031 450 V CA -0.816 61.460 62.300 -0.040 0.000 0.871 450 V CB 1.792 33.446 31.823 -0.282 0.000 0.988 450 V HN 0.819 nan 8.190 nan 0.000 0.432 451 D N 2.389 122.808 120.400 0.031 0.000 2.354 451 D HA 0.084 4.725 4.640 0.002 0.000 0.238 451 D C 0.347 176.628 176.300 -0.032 0.000 1.250 451 D CA -0.101 53.921 54.000 0.037 0.000 0.911 451 D CB 0.606 41.475 40.800 0.116 0.000 1.163 451 D HN 0.463 nan 8.370 nan 0.000 0.456 452 K N 0.441 120.834 120.400 -0.012 0.000 2.484 452 K HA -0.008 4.313 4.320 0.002 0.000 0.280 452 K C -0.764 175.815 176.600 -0.035 0.000 1.013 452 K CA -0.306 55.968 56.287 -0.023 0.000 1.029 452 K CB 0.228 32.698 32.500 -0.050 0.000 0.902 452 K HN 0.109 nan 8.250 nan 0.000 0.481 453 L N 5.576 126.775 121.223 -0.041 0.000 2.255 453 L HA 0.296 4.637 4.340 0.002 0.000 0.289 453 L C -0.808 176.129 176.870 0.111 0.000 1.046 453 L CA -0.239 54.539 54.840 -0.104 0.000 0.816 453 L CB 1.315 43.230 42.059 -0.241 0.000 1.197 453 L HN 0.304 nan 8.230 nan 0.000 0.427 454 V N 2.146 122.142 119.914 0.137 0.000 2.577 454 V HA 0.659 4.781 4.120 0.002 0.000 0.303 454 V C 0.169 176.389 176.094 0.210 0.000 1.042 454 V CA -0.721 61.688 62.300 0.183 0.000 0.872 454 V CB 2.165 34.072 31.823 0.141 0.000 0.998 454 V HN 0.807 nan 8.190 nan 0.000 0.423 455 T N 1.503 116.143 114.554 0.144 0.000 2.948 455 T HA 0.968 5.319 4.350 0.002 0.000 0.285 455 T C -0.725 173.918 174.700 -0.095 0.000 1.019 455 T CA -0.619 61.492 62.100 0.019 0.000 1.013 455 T CB 2.130 71.007 68.868 0.016 0.000 1.117 455 T HN 1.083 nan 8.240 nan 0.000 0.533 456 F N -1.904 117.867 119.950 -0.298 0.000 2.799 456 F HA 0.714 5.242 4.527 0.002 0.000 0.316 456 F C -2.322 173.294 175.800 -0.307 0.000 1.155 456 F CA -2.187 55.535 58.000 -0.464 0.000 0.916 456 F CB 0.494 39.310 39.000 -0.307 0.000 1.294 456 F HN 0.529 nan 8.300 nan 0.000 0.447 457 F N 1.491 121.541 119.950 0.167 0.000 2.399 457 F HA 0.621 5.149 4.527 0.002 0.000 0.334 457 F C 0.001 175.778 175.800 -0.039 0.000 1.097 457 F CA -0.508 57.517 58.000 0.041 0.000 1.076 457 F CB 1.739 40.810 39.000 0.118 0.000 1.162 457 F HN 0.690 nan 8.300 nan 0.000 0.495 458 E N 2.381 122.680 120.200 0.164 0.000 2.290 458 E HA 0.268 4.619 4.350 0.002 0.000 0.274 458 E C -1.653 175.014 176.600 0.112 0.000 0.889 458 E CA -0.812 55.629 56.400 0.069 0.000 0.760 458 E CB 1.059 30.926 29.700 0.278 0.000 1.206 458 E HN 0.430 nan 8.360 nan 0.000 0.419 459 Y N 2.363 122.741 120.300 0.130 0.000 2.811 459 Y HA 0.022 4.573 4.550 0.002 0.000 0.334 459 Y C -0.326 175.699 175.900 0.207 0.000 1.247 459 Y CA 0.672 58.862 58.100 0.149 0.000 1.526 459 Y CB 0.077 38.601 38.460 0.107 0.000 1.284 459 Y HN 0.394 nan 8.280 nan 0.000 0.586 460 Y N 3.135 123.588 120.300 0.255 0.000 2.406 460 Y HA 0.411 4.962 4.550 0.002 0.000 0.340 460 Y C -1.212 174.777 175.900 0.149 0.000 0.975 460 Y CA -1.125 57.086 58.100 0.185 0.000 1.056 460 Y CB 1.114 39.681 38.460 0.178 0.000 1.210 460 Y HN 0.579 nan 8.280 nan 0.000 0.448 461 D N 5.828 125.919 120.400 -0.515 0.000 2.269 461 D HA 0.470 5.111 4.640 0.002 0.000 0.244 461 D C -1.184 174.936 176.300 -0.301 0.000 0.992 461 D CA 0.047 53.841 54.000 -0.345 0.000 0.894 461 D CB 2.044 42.672 40.800 -0.287 0.000 1.248 461 D HN 0.462 nan 8.370 nan 0.000 0.468 462 F N -1.590 118.266 119.950 -0.157 0.000 2.654 462 F HA 0.354 4.882 4.527 0.002 0.000 0.308 462 F C -0.818 175.036 175.800 0.091 0.000 1.108 462 F CA -1.227 56.790 58.000 0.028 0.000 0.957 462 F CB 1.195 40.349 39.000 0.256 0.000 1.309 462 F HN -0.058 nan 8.300 nan 0.000 0.446 463 D N 2.005 122.585 120.400 0.299 0.000 2.358 463 D HA 0.420 5.061 4.640 0.002 0.000 0.258 463 D C 0.205 176.648 176.300 0.238 0.000 1.223 463 D CA 0.447 54.574 54.000 0.212 0.000 0.886 463 D CB 1.608 42.573 40.800 0.275 0.000 1.120 463 D HN 0.865 nan 8.370 nan 0.000 0.482 464 A N 3.019 125.877 122.820 0.062 0.000 2.594 464 A HA 0.130 4.451 4.320 0.002 0.000 0.287 464 A C 1.595 179.218 177.584 0.065 0.000 1.227 464 A CA -0.321 51.763 52.037 0.078 0.000 0.952 464 A CB 0.075 19.012 19.000 -0.105 0.000 1.161 464 A HN 0.531 nan 8.150 nan 0.000 0.524 465 T N 0.845 115.444 114.554 0.075 0.000 2.929 465 T HA -0.122 4.229 4.350 0.002 0.000 0.271 465 T C 1.562 176.268 174.700 0.010 0.000 1.085 465 T CA 1.324 63.450 62.100 0.043 0.000 1.125 465 T CB -0.313 68.562 68.868 0.011 0.000 0.874 465 T HN 0.485 nan 8.240 nan 0.000 0.494 466 N N 0.942 119.650 118.700 0.013 0.000 2.573 466 N HA -0.037 4.704 4.740 0.002 0.000 0.187 466 N C 1.647 177.159 175.510 0.003 0.000 1.107 466 N CA 0.726 53.764 53.050 -0.020 0.000 0.918 466 N CB -0.237 38.249 38.487 -0.000 0.000 0.966 466 N HN 0.409 nan 8.380 nan 0.000 0.448 467 T N -0.098 114.494 114.554 0.063 0.000 2.951 467 T HA 0.018 4.369 4.350 0.002 0.000 0.268 467 T C 1.107 175.959 174.700 0.253 0.000 1.073 467 T CA 0.482 62.669 62.100 0.144 0.000 1.134 467 T CB 0.406 69.324 68.868 0.083 0.000 0.884 467 T HN -0.105 nan 8.240 nan 0.000 0.479 468 V N 0.910 120.906 119.914 0.136 0.000 2.966 468 V HA 0.475 4.596 4.120 0.002 0.000 0.317 468 V C -0.644 175.429 176.094 -0.036 0.000 1.070 468 V CA -1.023 61.376 62.300 0.165 0.000 1.008 468 V CB 1.425 33.346 31.823 0.164 0.000 1.070 468 V HN 0.193 nan 8.190 nan 0.000 0.457 469 F N 2.285 122.261 119.950 0.043 0.000 2.443 469 F HA 0.579 5.107 4.527 0.002 0.000 0.335 469 F C 0.249 176.062 175.800 0.021 0.000 1.104 469 F CA -0.463 57.552 58.000 0.025 0.000 1.013 469 F CB 1.149 40.133 39.000 -0.026 0.000 1.136 469 F HN 0.144 nan 8.300 nan 0.000 0.470 470 L N 1.574 122.914 121.223 0.195 0.000 2.439 470 L HA 0.451 4.793 4.340 0.002 0.000 0.259 470 L C 0.574 177.507 176.870 0.106 0.000 1.129 470 L CA -0.619 54.301 54.840 0.133 0.000 0.803 470 L CB 1.035 43.172 42.059 0.130 0.000 1.161 470 L HN 0.537 nan 8.230 nan 0.000 0.462 471 T N -0.401 114.190 114.554 0.062 0.000 2.849 471 T HA 0.006 4.357 4.350 0.002 0.000 0.284 471 T C 1.060 175.769 174.700 0.015 0.000 1.004 471 T CA -0.274 61.844 62.100 0.029 0.000 1.021 471 T CB 1.287 70.164 68.868 0.015 0.000 1.013 471 T HN 0.708 nan 8.240 nan 0.000 0.527 472 E N 0.842 121.040 120.200 -0.004 0.000 2.085 472 E HA -0.184 4.167 4.350 0.002 0.000 0.194 472 E C 1.691 178.273 176.600 -0.031 0.000 0.994 472 E CA 1.291 57.677 56.400 -0.023 0.000 0.801 472 E CB 0.160 29.841 29.700 -0.032 0.000 0.743 472 E HN 0.504 nan 8.360 nan 0.000 0.453 473 E N 0.530 120.715 120.200 -0.025 0.000 2.072 473 E HA -0.182 4.169 4.350 0.002 0.000 0.191 473 E C 1.960 178.541 176.600 -0.031 0.000 0.985 473 E CA 1.035 57.417 56.400 -0.029 0.000 0.801 473 E CB -0.144 29.544 29.700 -0.021 0.000 0.750 473 E HN 0.450 nan 8.360 nan 0.000 0.452 474 E N 0.639 120.830 120.200 -0.015 0.000 2.204 474 E HA -0.113 4.238 4.350 0.002 0.000 0.195 474 E C 2.160 178.734 176.600 -0.044 0.000 0.990 474 E CA 0.430 56.822 56.400 -0.013 0.000 0.821 474 E CB -0.103 29.610 29.700 0.023 0.000 0.750 474 E HN 0.205 nan 8.360 nan 0.000 0.477 475 L N 0.676 121.874 121.223 -0.041 0.000 2.291 475 L HA -0.115 4.226 4.340 0.002 0.000 0.214 475 L C 2.077 178.862 176.870 -0.141 0.000 1.120 475 L CA 0.867 55.661 54.840 -0.076 0.000 0.799 475 L CB -0.104 41.935 42.059 -0.033 0.000 0.925 475 L HN 0.022 nan 8.230 nan 0.000 0.446 476 K N -1.146 119.188 120.400 -0.110 0.000 2.296 476 K HA -0.024 4.298 4.320 0.002 0.000 0.200 476 K C 1.148 177.672 176.600 -0.127 0.000 1.048 476 K CA 0.518 56.738 56.287 -0.113 0.000 0.966 476 K CB 0.070 32.521 32.500 -0.081 0.000 0.754 476 K HN 0.169 nan 8.250 nan 0.000 0.466 477 T N 0.759 115.234 114.554 -0.132 0.000 2.910 477 T HA 0.193 4.544 4.350 0.002 0.000 0.279 477 T C -0.776 173.799 174.700 -0.209 0.000 0.989 477 T CA -1.002 61.020 62.100 -0.129 0.000 0.968 477 T CB 0.842 69.663 68.868 -0.078 0.000 1.135 477 T HN 0.120 nan 8.240 nan 0.000 0.562 478 K N 1.003 121.305 120.400 -0.163 0.000 2.319 478 K HA 0.132 4.453 4.320 0.002 0.000 0.265 478 K C -0.775 175.734 176.600 -0.152 0.000 1.000 478 K CA -0.326 55.846 56.287 -0.191 0.000 0.943 478 K CB 0.017 32.478 32.500 -0.065 0.000 0.950 478 K HN 0.573 nan 8.250 nan 0.000 0.485 479 Y N 1.820 122.164 120.300 0.073 0.000 2.610 479 Y HA -0.030 4.521 4.550 0.002 0.000 0.332 479 Y C -0.920 175.024 175.900 0.074 0.000 1.201 479 Y CA -1.463 56.650 58.100 0.021 0.000 1.465 479 Y CB 0.278 38.709 38.460 -0.049 0.000 1.283 479 Y HN 0.653 nan 8.280 nan 0.000 0.563 480 P HA -0.204 nan 4.420 nan 0.000 0.216 480 P C -0.324 177.087 177.300 0.185 0.000 1.153 480 P CA 1.762 64.940 63.100 0.130 0.000 0.848 480 P CB 0.138 31.890 31.700 0.088 0.000 0.787 481 H N -1.728 117.424 119.070 0.137 0.000 2.776 481 H HA -0.157 4.400 4.556 0.002 0.000 0.300 481 H C 1.269 176.666 175.328 0.114 0.000 1.161 481 H CA 0.652 56.783 56.048 0.139 0.000 1.147 481 H CB -2.805 27.051 29.762 0.156 0.000 1.366 481 H HN 0.207 nan 8.280 nan 0.000 0.397 482 N N -0.179 118.604 118.700 0.139 0.000 2.188 482 N HA -0.038 4.704 4.740 0.002 0.000 0.184 482 N C -0.034 175.624 175.510 0.247 0.000 1.018 482 N CA 0.767 53.887 53.050 0.116 0.000 0.858 482 N CB 0.249 38.833 38.487 0.163 0.000 0.989 482 N HN 0.206 nan 8.380 nan 0.000 0.426 483 L N 1.209 122.583 121.223 0.251 0.000 2.289 483 L HA 0.400 4.741 4.340 0.002 0.000 0.285 483 L C 0.030 177.018 176.870 0.197 0.000 1.049 483 L CA -0.013 54.999 54.840 0.287 0.000 0.804 483 L CB 1.127 43.311 42.059 0.208 0.000 1.195 483 L HN -0.032 nan 8.230 nan 0.000 0.428 484 K N 1.828 122.336 120.400 0.181 0.000 2.324 484 K HA 0.674 4.995 4.320 0.002 0.000 0.253 484 K C -1.296 175.230 176.600 -0.124 0.000 0.932 484 K CA -0.696 55.573 56.287 -0.030 0.000 0.799 484 K CB 2.571 35.024 32.500 -0.078 0.000 1.154 484 K HN 0.245 nan 8.250 nan 0.000 0.425 485 V N 3.594 123.238 119.914 -0.449 0.000 2.398 485 V HA 0.391 4.513 4.120 0.002 0.000 0.286 485 V C -0.271 175.577 176.094 -0.409 0.000 1.026 485 V CA -0.722 61.287 62.300 -0.484 0.000 0.868 485 V CB 1.410 32.705 31.823 -0.879 0.000 0.982 485 V HN 0.649 nan 8.190 nan 0.000 0.443 486 R N 4.227 124.531 120.500 -0.327 0.000 2.387 486 R HA 0.656 4.997 4.340 0.002 0.000 0.314 486 R C -0.906 175.336 176.300 -0.097 0.000 0.958 486 R CA -0.412 55.504 56.100 -0.307 0.000 0.846 486 R CB 1.225 31.089 30.300 -0.728 0.000 1.147 486 R HN 0.821 nan 8.270 nan 0.000 0.447 487 Q N 4.013 123.887 119.800 0.124 0.000 2.379 487 Q HA 0.404 4.746 4.340 0.002 0.000 0.278 487 Q C -2.682 173.518 176.000 0.333 0.000 1.068 487 Q CA -2.370 53.547 55.803 0.190 0.000 0.816 487 Q CB 3.100 31.911 28.738 0.122 0.000 1.387 487 Q HN 0.443 nan 8.270 nan 0.000 0.413 488 P HA 0.208 nan 4.420 nan 0.000 0.282 488 P C -0.988 176.535 177.300 0.371 0.000 1.262 488 P CA -0.154 63.078 63.100 0.220 0.000 0.773 488 P CB 0.709 32.450 31.700 0.067 0.000 0.879 489 R N 2.215 122.970 120.500 0.425 0.000 2.803 489 R HA 0.462 4.803 4.340 0.002 0.000 0.276 489 R C -0.328 176.238 176.300 0.443 0.000 0.978 489 R CA -1.358 55.020 56.100 0.464 0.000 0.939 489 R CB 1.593 32.048 30.300 0.258 0.000 1.179 489 R HN 0.353 nan 8.270 nan 0.000 0.472 490 L N 1.575 123.023 121.223 0.376 0.000 2.499 490 L HA 0.103 4.444 4.340 0.002 0.000 0.281 490 L C -0.166 176.601 176.870 -0.173 0.000 1.234 490 L CA 1.167 55.989 54.840 -0.030 0.000 0.839 490 L CB -0.000 42.093 42.059 0.058 0.000 1.104 490 L HN 0.783 nan 8.230 nan 0.000 0.500 491 N N 0.087 118.515 118.700 -0.452 0.000 3.227 491 N HA 0.421 5.162 4.740 0.002 0.000 0.241 491 N C -2.035 173.018 175.510 -0.762 0.000 1.480 491 N CA -0.707 52.002 53.050 -0.569 0.000 0.886 491 N CB 0.784 38.820 38.487 -0.751 0.000 1.406 491 N HN 0.863 nan 8.380 nan 0.000 0.514 492 H N -0.503 118.203 119.070 -0.607 0.000 3.008 492 H HA 0.310 4.867 4.556 0.002 0.000 0.354 492 H C -1.466 173.924 175.328 0.103 0.000 1.252 492 H CA -0.658 55.235 56.048 -0.258 0.000 1.117 492 H CB 0.914 30.639 29.762 -0.062 0.000 1.857 492 H HN 0.487 nan 8.280 nan 0.000 0.547 493 Q N 1.135 121.102 119.800 0.277 0.000 2.340 493 Q HA 0.287 4.628 4.340 0.002 0.000 0.249 493 Q C -2.286 173.811 176.000 0.162 0.000 0.957 493 Q CA -1.595 54.327 55.803 0.199 0.000 0.882 493 Q CB 0.819 29.677 28.738 0.199 0.000 1.235 493 Q HN 0.398 nan 8.270 nan 0.000 0.439 494 P HA 0.004 nan 4.420 nan 0.000 0.269 494 P C -1.248 176.121 177.300 0.115 0.000 1.209 494 P CA 0.240 63.309 63.100 -0.052 0.000 0.776 494 P CB 0.329 31.952 31.700 -0.128 0.000 0.876 495 F N -0.708 119.233 119.950 -0.014 0.000 2.619 495 F HA 0.579 5.107 4.527 0.002 0.000 0.308 495 F C -0.855 174.936 175.800 -0.014 0.000 1.097 495 F CA -1.127 56.872 58.000 -0.002 0.000 0.953 495 F CB 1.176 40.193 39.000 0.028 0.000 1.287 495 F HN 0.035 nan 8.300 nan 0.000 0.446 496 N N 2.134 120.953 118.700 0.198 0.000 2.466 496 N HA 0.609 5.351 4.740 0.002 0.000 0.294 496 N C -1.215 174.447 175.510 0.253 0.000 1.129 496 N CA -0.422 52.712 53.050 0.139 0.000 0.931 496 N CB 2.475 41.008 38.487 0.077 0.000 1.193 496 N HN 0.671 nan 8.380 nan 0.000 0.500 497 I N 1.805 122.523 120.570 0.247 0.000 2.439 497 I HA 0.214 4.385 4.170 0.002 0.000 0.285 497 I C -0.716 175.502 176.117 0.168 0.000 1.021 497 I CA -0.689 60.766 61.300 0.258 0.000 1.091 497 I CB 1.282 39.520 38.000 0.397 0.000 1.242 497 I HN 0.209 nan 8.210 nan 0.000 0.439 498 N N 7.191 125.958 118.700 0.111 0.000 2.426 498 N HA 0.511 5.252 4.740 0.002 0.000 0.257 498 N C -0.842 174.692 175.510 0.039 0.000 1.002 498 N CA -0.217 52.871 53.050 0.063 0.000 0.942 498 N CB 1.246 39.755 38.487 0.037 0.000 1.112 498 N HN 0.426 nan 8.380 nan 0.000 0.499 499 I N 0.816 121.406 120.570 0.033 0.000 2.354 499 I HA 0.222 4.393 4.170 0.002 0.000 0.292 499 I C -0.267 175.826 176.117 -0.041 0.000 0.989 499 I CA -0.639 60.658 61.300 -0.005 0.000 1.188 499 I CB 1.338 39.360 38.000 0.037 0.000 1.342 499 I HN 0.352 nan 8.210 nan 0.000 0.457 500 D N 8.340 128.684 120.400 -0.093 0.000 2.392 500 D HA 0.471 5.112 4.640 0.002 0.000 0.228 500 D C -0.826 175.424 176.300 -0.084 0.000 1.074 500 D CA -0.233 53.717 54.000 -0.084 0.000 0.838 500 D CB 1.119 41.855 40.800 -0.106 0.000 1.067 500 D HN 0.336 nan 8.370 nan 0.000 0.511 501 I N 2.727 123.267 120.570 -0.050 0.000 2.474 501 I HA 0.231 4.402 4.170 0.002 0.000 0.294 501 I C -0.152 175.941 176.117 -0.039 0.000 1.005 501 I CA -1.008 60.263 61.300 -0.048 0.000 1.113 501 I CB 2.079 40.052 38.000 -0.046 0.000 1.289 501 I HN 0.055 nan 8.210 nan 0.000 0.436 502 K N 5.585 125.959 120.400 -0.043 0.000 2.404 502 K HA 0.707 5.028 4.320 0.002 0.000 0.257 502 K C -1.020 175.546 176.600 -0.057 0.000 1.026 502 K CA -0.242 56.024 56.287 -0.035 0.000 0.951 502 K CB 1.238 33.727 32.500 -0.018 0.000 1.203 502 K HN 0.669 nan 8.250 nan 0.000 0.446 503 A N 3.140 125.922 122.820 -0.064 0.000 2.320 503 A HA 0.454 4.775 4.320 0.002 0.000 0.334 503 A C -0.133 177.415 177.584 -0.060 0.000 1.147 503 A CA -0.585 51.396 52.037 -0.093 0.000 0.820 503 A CB 0.740 19.670 19.000 -0.117 0.000 1.218 503 A HN 0.759 nan 8.150 nan 0.000 0.482 504 D N -0.579 119.783 120.400 -0.064 0.000 2.269 504 D HA 0.137 4.778 4.640 0.002 0.000 0.220 504 D C 1.046 177.329 176.300 -0.028 0.000 0.962 504 D CA 2.016 55.995 54.000 -0.034 0.000 0.884 504 D CB 0.108 40.893 40.800 -0.024 0.000 1.023 504 D HN 0.543 nan 8.370 nan 0.000 0.484 505 V N -2.334 117.559 119.914 -0.036 0.000 3.155 505 V HA 0.876 4.998 4.120 0.002 0.000 0.313 505 V C -0.658 175.422 176.094 -0.023 0.000 1.162 505 V CA -1.325 60.964 62.300 -0.018 0.000 1.048 505 V CB 1.511 33.333 31.823 -0.002 0.000 1.092 505 V HN 0.020 nan 8.190 nan 0.000 0.447 506 A N 1.330 124.148 122.820 -0.005 0.000 2.309 506 A HA 0.896 5.217 4.320 0.002 0.000 0.298 506 A C 0.281 177.881 177.584 0.027 0.000 1.165 506 A CA 0.326 52.364 52.037 0.001 0.000 0.821 506 A CB 0.165 19.167 19.000 0.004 0.000 1.102 506 A HN 1.819 nan 8.150 nan 0.000 0.500 507 T N -0.759 113.821 114.554 0.043 0.000 2.802 507 T HA 0.472 4.823 4.350 0.002 0.000 0.311 507 T C -1.567 173.211 174.700 0.130 0.000 1.405 507 T CA -0.953 61.212 62.100 0.108 0.000 1.016 507 T CB 1.333 70.320 68.868 0.198 0.000 1.352 507 T HN 0.441 nan 8.240 nan 0.000 0.498 508 D N 1.188 121.695 120.400 0.179 0.000 2.347 508 D HA 0.581 5.222 4.640 0.002 0.000 0.235 508 D C -0.229 176.231 176.300 0.266 0.000 1.149 508 D CA -0.042 54.081 54.000 0.205 0.000 0.850 508 D CB 1.495 42.485 40.800 0.317 0.000 1.061 508 D HN 0.870 nan 8.370 nan 0.000 0.487 509 A N 2.203 125.138 122.820 0.191 0.000 2.354 509 A HA 0.662 4.983 4.320 0.002 0.000 0.321 509 A C -0.429 177.129 177.584 -0.044 0.000 1.125 509 A CA -0.672 51.474 52.037 0.183 0.000 0.799 509 A CB 1.436 20.626 19.000 0.316 0.000 1.293 509 A HN 0.327 nan 8.150 nan 0.000 0.452 510 V N 0.896 120.649 119.914 -0.268 0.000 2.483 510 V HA 0.617 4.738 4.120 0.002 0.000 0.295 510 V C -0.269 175.541 176.094 -0.473 0.000 1.035 510 V CA -0.520 61.511 62.300 -0.448 0.000 0.896 510 V CB 1.348 32.682 31.823 -0.815 0.000 0.986 510 V HN 0.946 nan 8.190 nan 0.000 0.447 511 V N 5.252 124.879 119.914 -0.478 0.000 2.531 511 V HA 0.639 4.760 4.120 0.002 0.000 0.301 511 V C -0.586 175.315 176.094 -0.322 0.000 1.034 511 V CA -0.484 61.548 62.300 -0.447 0.000 0.865 511 V CB 1.689 33.121 31.823 -0.652 0.000 0.995 511 V HN 0.923 nan 8.190 nan 0.000 0.424 512 K N 6.391 126.773 120.400 -0.029 0.000 2.259 512 K HA 0.677 4.998 4.320 0.002 0.000 0.252 512 K C -1.285 175.327 176.600 0.019 0.000 0.936 512 K CA -0.710 55.569 56.287 -0.013 0.000 0.810 512 K CB 2.412 34.977 32.500 0.108 0.000 1.143 512 K HN 0.681 nan 8.250 nan 0.000 0.427 513 I N 3.279 123.736 120.570 -0.189 0.000 2.436 513 I HA 0.400 4.571 4.170 0.002 0.000 0.289 513 I C -0.954 174.952 176.117 -0.351 0.000 1.010 513 I CA -0.722 60.514 61.300 -0.107 0.000 1.098 513 I CB 0.922 38.860 38.000 -0.102 0.000 1.266 513 I HN 0.391 nan 8.210 nan 0.000 0.434 514 F N 5.325 125.266 119.950 -0.015 0.000 2.593 514 F HA 0.621 5.149 4.527 0.002 0.000 0.320 514 F C -0.025 175.671 175.800 -0.174 0.000 1.060 514 F CA -0.775 57.214 58.000 -0.018 0.000 0.940 514 F CB 2.109 41.193 39.000 0.140 0.000 1.268 514 F HN 0.286 nan 8.300 nan 0.000 0.475 515 M N 1.477 121.122 119.600 0.075 0.000 2.321 515 M HA 0.788 5.270 4.480 0.002 0.000 0.315 515 M C -0.909 175.462 176.300 0.119 0.000 1.052 515 M CA -0.133 55.042 55.300 -0.210 0.000 0.936 515 M CB 1.784 34.151 32.600 -0.390 0.000 1.639 515 M HN 0.757 nan 8.290 nan 0.000 0.433 516 G N 3.633 112.419 108.800 -0.023 0.000 2.680 516 G HA2 0.780 4.742 3.960 0.002 0.000 0.290 516 G HA3 0.780 4.742 3.960 0.002 0.000 0.290 516 G C -3.356 171.417 174.900 -0.212 0.000 1.355 516 G CA -1.169 43.730 45.100 -0.336 0.000 0.903 516 G HN 0.465 nan 8.290 nan 0.000 0.474 517 P HA 0.263 nan 4.420 nan 0.000 0.277 517 P C -0.187 176.991 177.300 -0.204 0.000 1.240 517 P CA -0.278 62.716 63.100 -0.177 0.000 0.798 517 P CB 2.623 34.295 31.700 -0.045 0.000 0.979 518 K N 1.576 121.772 120.400 -0.340 0.000 2.168 518 K HA 0.092 4.413 4.320 0.002 0.000 0.201 518 K C -0.061 176.166 176.600 -0.623 0.000 1.049 518 K CA 1.272 57.250 56.287 -0.514 0.000 0.974 518 K CB -0.195 31.841 32.500 -0.774 0.000 0.792 518 K HN 0.424 nan 8.250 nan 0.000 0.463 519 Y N 0.480 120.676 120.300 -0.173 0.000 2.598 519 Y HA 0.313 4.864 4.550 0.002 0.000 0.340 519 Y C 0.138 176.015 175.900 -0.040 0.000 1.038 519 Y CA -1.732 56.301 58.100 -0.112 0.000 1.100 519 Y CB 0.804 39.151 38.460 -0.188 0.000 1.281 519 Y HN 0.063 nan 8.280 nan 0.000 0.488 520 N N -0.394 118.433 118.700 0.211 0.000 2.366 520 N HA 0.059 4.800 4.740 0.002 0.000 0.277 520 N C 0.663 176.272 175.510 0.165 0.000 1.275 520 N CA -0.185 52.976 53.050 0.185 0.000 0.964 520 N CB 0.118 38.703 38.487 0.164 0.000 1.167 520 N HN 0.793 nan 8.380 nan 0.000 0.568 521 E N -1.220 119.084 120.200 0.173 0.000 2.267 521 E HA -0.223 4.129 4.350 0.002 0.000 0.197 521 E C 0.023 176.677 176.600 0.090 0.000 0.998 521 E CA 1.090 57.567 56.400 0.128 0.000 0.830 521 E CB -0.423 29.360 29.700 0.137 0.000 0.751 521 E HN 0.480 nan 8.360 nan 0.000 0.491 522 N N 0.316 119.089 118.700 0.122 0.000 2.336 522 N HA 0.068 4.809 4.740 0.002 0.000 0.189 522 N C 0.933 176.467 175.510 0.040 0.000 1.113 522 N CA 0.865 53.997 53.050 0.136 0.000 0.858 522 N CB 1.169 39.810 38.487 0.258 0.000 0.970 522 N HN 0.453 nan 8.380 nan 0.000 0.471 523 G N 0.260 109.032 108.800 -0.048 0.000 2.157 523 G HA2 -0.264 3.697 3.960 0.002 0.000 0.248 523 G HA3 -0.264 3.697 3.960 0.002 0.000 0.248 523 G C -0.114 174.475 174.900 -0.518 0.000 0.979 523 G CA -0.243 44.644 45.100 -0.355 0.000 0.650 523 G HN 0.253 nan 8.290 nan 0.000 0.529 524 F N 0.830 120.751 119.950 -0.049 0.000 2.403 524 F HA 0.575 5.104 4.527 0.002 0.000 0.326 524 F C -1.675 174.252 175.800 0.211 0.000 1.081 524 F CA -2.434 55.585 58.000 0.032 0.000 1.041 524 F CB 1.149 40.153 39.000 0.007 0.000 1.234 524 F HN -0.206 nan 8.300 nan 0.000 0.503 525 P HA -0.070 nan 4.420 nan 0.000 0.261 525 P C -0.260 177.127 177.300 0.145 0.000 1.173 525 P CA 0.309 63.557 63.100 0.247 0.000 0.760 525 P CB 0.334 32.132 31.700 0.163 0.000 0.783 526 I N 3.033 123.636 120.570 0.054 0.000 3.060 526 I HA 0.091 4.262 4.170 0.002 0.000 0.285 526 I C 0.666 176.809 176.117 0.044 0.000 1.190 526 I CA 1.220 62.549 61.300 0.048 0.000 1.363 526 I CB 0.456 38.462 38.000 0.011 0.000 1.396 526 I HN 0.217 nan 8.210 nan 0.000 0.607 527 T N 6.129 120.721 114.554 0.063 0.000 2.879 527 T HA 0.370 4.721 4.350 0.002 0.000 0.290 527 T C 1.085 175.857 174.700 0.120 0.000 0.993 527 T CA -0.487 61.650 62.100 0.061 0.000 0.975 527 T CB 0.979 69.876 68.868 0.047 0.000 0.981 527 T HN 0.415 nan 8.240 nan 0.000 0.439 528 L N 2.231 123.529 121.223 0.125 0.000 2.191 528 L HA -0.081 4.260 4.340 0.002 0.000 0.212 528 L C 2.183 179.218 176.870 0.275 0.000 1.103 528 L CA 1.332 56.306 54.840 0.223 0.000 0.769 528 L CB -0.221 41.930 42.059 0.154 0.000 0.908 528 L HN 0.645 nan 8.230 nan 0.000 0.438 529 E N 0.074 120.380 120.200 0.175 0.000 2.150 529 E HA -0.139 4.212 4.350 0.002 0.000 0.193 529 E C 1.552 178.327 176.600 0.291 0.000 0.985 529 E CA 0.973 57.484 56.400 0.186 0.000 0.814 529 E CB -0.033 29.715 29.700 0.081 0.000 0.752 529 E HN 0.457 nan 8.360 nan 0.000 0.466 530 N N -0.168 118.653 118.700 0.203 0.000 2.227 530 N HA 0.016 4.757 4.740 0.002 0.000 0.196 530 N C -0.056 175.452 175.510 -0.002 0.000 1.142 530 N CA 0.344 53.467 53.050 0.122 0.000 0.887 530 N CB 0.787 39.306 38.487 0.052 0.000 1.022 530 N HN 0.059 nan 8.380 nan 0.000 0.500 531 D N 0.036 120.473 120.400 0.062 0.000 2.501 531 D HA 0.051 4.692 4.640 0.002 0.000 0.224 531 D C 1.553 177.898 176.300 0.076 0.000 1.202 531 D CA -0.324 53.660 54.000 -0.026 0.000 0.829 531 D CB -0.101 40.720 40.800 0.034 0.000 1.023 531 D HN 0.379 nan 8.370 nan 0.000 0.499 532 W N 1.463 122.897 121.300 0.224 0.000 2.364 532 W HA -0.141 4.520 4.660 0.002 0.000 0.281 532 W C 1.248 177.948 176.519 0.302 0.000 1.219 532 W CA 0.500 58.034 57.345 0.314 0.000 1.220 532 W CB -0.861 28.744 29.460 0.241 0.000 1.127 532 W HN -0.037 nan 8.180 nan 0.000 0.556 533 M N 1.074 120.313 119.600 -0.601 0.000 2.618 533 M HA 0.185 4.666 4.480 0.002 0.000 0.240 533 M C 0.527 176.699 176.300 -0.214 0.000 1.123 533 M CA 1.040 56.045 55.300 -0.491 0.000 1.060 533 M CB -1.052 30.962 32.600 -0.976 0.000 1.535 533 M HN -0.025 nan 8.290 nan 0.000 0.507 534 K N 0.586 120.890 120.400 -0.160 0.000 2.493 534 K HA 0.283 4.604 4.320 0.002 0.000 0.207 534 K C -0.984 175.455 176.600 -0.268 0.000 1.033 534 K CA -0.180 55.991 56.287 -0.193 0.000 1.161 534 K CB 0.121 32.527 32.500 -0.156 0.000 0.873 534 K HN 0.166 nan 8.250 nan 0.000 0.491 535 F N 0.817 120.716 119.950 -0.085 0.000 2.385 535 F HA 0.226 4.754 4.527 0.002 0.000 0.360 535 F C 0.152 176.086 175.800 0.224 0.000 1.122 535 F CA -1.278 56.686 58.000 -0.061 0.000 1.090 535 F CB 0.476 39.011 39.000 -0.774 0.000 1.150 535 F HN -0.065 nan 8.300 nan 0.000 0.472 536 F N 4.225 124.314 119.950 0.232 0.000 2.444 536 F HA 0.180 4.708 4.527 0.002 0.000 0.360 536 F C 0.615 176.564 175.800 0.248 0.000 1.106 536 F CA -0.750 57.341 58.000 0.152 0.000 1.170 536 F CB 0.244 39.305 39.000 0.101 0.000 1.113 536 F HN 0.470 nan 8.300 nan 0.000 0.521 537 E N 6.108 126.179 120.200 -0.215 0.000 2.299 537 E HA 0.077 4.428 4.350 0.002 0.000 0.272 537 E C 0.307 176.487 176.600 -0.700 0.000 1.043 537 E CA -0.054 56.030 56.400 -0.527 0.000 0.895 537 E CB 0.727 30.225 29.700 -0.337 0.000 1.011 537 E HN 0.854 nan 8.360 nan 0.000 0.432 538 M N 2.357 121.624 119.600 -0.555 0.000 2.740 538 M HA 0.200 4.681 4.480 0.002 0.000 0.253 538 M C -0.074 175.952 176.300 -0.457 0.000 1.341 538 M CA 0.033 55.126 55.300 -0.345 0.000 1.176 538 M CB 0.646 33.135 32.600 -0.185 0.000 1.310 538 M HN 0.357 nan 8.290 nan 0.000 0.531 539 D N -1.171 118.940 120.400 -0.481 0.000 2.661 539 D HA 0.376 5.017 4.640 0.002 0.000 0.228 539 D C -2.210 174.111 176.300 0.034 0.000 1.210 539 D CA -0.134 53.726 54.000 -0.233 0.000 0.826 539 D CB 2.331 42.931 40.800 -0.334 0.000 1.542 539 D HN 0.034 nan 8.370 nan 0.000 0.447 540 W N 5.883 127.199 121.300 0.027 0.000 2.934 540 W HA 0.517 5.178 4.660 0.002 0.000 0.333 540 W C -2.232 174.429 176.519 0.236 0.000 1.035 540 W CA -1.452 55.932 57.345 0.064 0.000 1.256 540 W CB 0.371 29.845 29.460 0.023 0.000 1.306 540 W HN 0.296 nan 8.180 nan 0.000 0.430 541 F N 2.271 122.409 119.950 0.313 0.000 2.678 541 F HA 0.712 5.240 4.527 0.002 0.000 0.308 541 F C -0.378 175.458 175.800 0.061 0.000 1.118 541 F CA -1.180 56.887 58.000 0.112 0.000 0.959 541 F CB 0.781 39.831 39.000 0.083 0.000 1.305 541 F HN 0.141 nan 8.300 nan 0.000 0.443 542 T N -0.630 113.932 114.554 0.014 0.000 2.882 542 T HA 0.594 4.945 4.350 0.002 0.000 0.287 542 T C -1.279 173.464 174.700 0.072 0.000 0.992 542 T CA -0.200 61.800 62.100 -0.167 0.000 1.076 542 T CB 1.064 69.632 68.868 -0.500 0.000 0.961 542 T HN 1.044 nan 8.240 nan 0.000 0.490 543 H N 0.392 119.413 119.070 -0.082 0.000 2.947 543 H HA 0.411 4.968 4.556 0.002 0.000 0.354 543 H C -0.960 174.371 175.328 0.006 0.000 1.085 543 H CA -0.740 55.324 56.048 0.027 0.000 1.253 543 H CB 1.471 31.291 29.762 0.097 0.000 1.757 543 H HN 0.665 nan 8.280 nan 0.000 0.523 544 K N 4.939 125.130 120.400 -0.348 0.000 2.276 544 K HA 0.315 4.636 4.320 0.002 0.000 0.283 544 K C -0.337 176.170 176.600 -0.156 0.000 1.044 544 K CA -0.216 55.959 56.287 -0.186 0.000 0.944 544 K CB 0.945 33.345 32.500 -0.166 0.000 1.012 544 K HN 0.435 nan 8.250 nan 0.000 0.472 545 I N 2.931 123.489 120.570 -0.019 0.000 2.336 545 I HA 0.108 4.280 4.170 0.002 0.000 0.292 545 I C 0.608 176.717 176.117 -0.012 0.000 0.991 545 I CA -0.623 60.683 61.300 0.011 0.000 1.227 545 I CB 1.638 39.631 38.000 -0.013 0.000 1.366 545 I HN 0.653 nan 8.210 nan 0.000 0.466 546 T N 3.447 117.998 114.554 -0.005 0.000 2.902 546 T HA 0.496 4.847 4.350 0.002 0.000 0.283 546 T C -2.592 172.100 174.700 -0.012 0.000 1.009 546 T CA -2.308 59.787 62.100 -0.008 0.000 1.051 546 T CB 1.476 70.343 68.868 -0.002 0.000 0.999 546 T HN 0.171 nan 8.240 nan 0.000 0.474 547 P HA 0.386 nan 4.420 nan 0.000 0.266 547 P C 1.036 178.329 177.300 -0.012 0.000 1.193 547 P CA 1.372 64.462 63.100 -0.016 0.000 0.770 547 P CB 0.030 31.724 31.700 -0.010 0.000 0.836 548 G N 1.365 110.156 108.800 -0.015 0.000 2.488 548 G HA2 -0.193 3.768 3.960 0.002 0.000 0.237 548 G HA3 -0.193 3.768 3.960 0.002 0.000 0.237 548 G C -0.636 174.258 174.900 -0.010 0.000 1.209 548 G CA -0.345 44.750 45.100 -0.009 0.000 0.929 548 G HN 0.673 nan 8.290 nan 0.000 0.578 549 Q N 1.218 121.016 119.800 -0.003 0.000 2.294 549 Q HA 0.619 4.960 4.340 0.002 0.000 0.257 549 Q C -0.278 175.728 176.000 0.009 0.000 0.955 549 Q CA -0.022 55.781 55.803 -0.001 0.000 0.936 549 Q CB 0.479 29.217 28.738 0.001 0.000 1.188 549 Q HN 0.595 nan 8.270 nan 0.000 0.420 550 N N 1.706 120.412 118.700 0.011 0.000 2.319 550 N HA 0.629 5.370 4.740 0.002 0.000 0.305 550 N C -1.537 173.988 175.510 0.025 0.000 1.103 550 N CA -0.596 52.476 53.050 0.037 0.000 0.815 550 N CB 2.265 40.786 38.487 0.056 0.000 1.288 550 N HN 0.433 nan 8.380 nan 0.000 0.493 551 T N 1.291 115.870 114.554 0.041 0.000 2.937 551 T HA 0.512 4.863 4.350 0.002 0.000 0.297 551 T C -0.552 174.156 174.700 0.012 0.000 0.991 551 T CA -0.367 61.744 62.100 0.017 0.000 0.990 551 T CB 0.393 69.271 68.868 0.017 0.000 0.991 551 T HN 0.248 nan 8.240 nan 0.000 0.440 552 I N 2.851 123.406 120.570 -0.025 0.000 2.441 552 I HA 0.604 4.775 4.170 0.002 0.000 0.295 552 I C -0.594 175.526 176.117 0.004 0.000 0.994 552 I CA -1.161 60.102 61.300 -0.062 0.000 1.144 552 I CB 2.018 39.940 38.000 -0.130 0.000 1.314 552 I HN 0.245 nan 8.210 nan 0.000 0.445 553 V N 6.333 126.248 119.914 0.001 0.000 2.409 553 V HA 0.472 4.593 4.120 0.002 0.000 0.290 553 V C -0.232 175.861 176.094 -0.001 0.000 1.017 553 V CA -0.694 61.620 62.300 0.022 0.000 0.841 553 V CB 1.568 33.401 31.823 0.016 0.000 1.003 553 V HN 0.583 nan 8.190 nan 0.000 0.426 554 R N 3.567 124.097 120.500 0.049 0.000 2.387 554 R HA 0.424 4.765 4.340 0.002 0.000 0.314 554 R C -0.410 175.927 176.300 0.062 0.000 0.958 554 R CA -0.368 55.754 56.100 0.037 0.000 0.846 554 R CB 1.833 32.205 30.300 0.119 0.000 1.147 554 R HN 0.776 nan 8.270 nan 0.000 0.447 555 N N 0.453 119.102 118.700 -0.085 0.000 2.473 555 N HA -0.007 4.734 4.740 0.002 0.000 0.291 555 N C 0.832 175.951 175.510 -0.652 0.000 1.083 555 N CA 0.013 52.907 53.050 -0.259 0.000 0.951 555 N CB 1.254 39.623 38.487 -0.196 0.000 1.164 555 N HN 0.527 nan 8.380 nan 0.000 0.480 556 S N 2.820 117.811 115.700 -1.182 0.000 2.420 556 S HA -0.228 4.244 4.470 0.002 0.000 0.237 556 S C 1.364 175.339 174.600 -1.042 0.000 1.023 556 S CA 1.266 58.256 58.200 -2.017 0.000 0.991 556 S CB -0.341 61.685 63.200 -1.956 0.000 0.792 556 S HN 0.753 nan 8.310 nan 0.000 0.488 557 N N 1.164 119.540 118.700 -0.540 0.000 2.550 557 N HA 0.014 4.755 4.740 0.002 0.000 0.186 557 N C 1.309 176.756 175.510 -0.106 0.000 1.110 557 N CA 0.582 53.497 53.050 -0.226 0.000 0.912 557 N CB -0.074 38.334 38.487 -0.131 0.000 0.968 557 N HN 0.405 nan 8.380 nan 0.000 0.448 558 E N -0.991 119.113 120.200 -0.160 0.000 2.431 558 E HA 0.161 4.512 4.350 0.002 0.000 0.200 558 E C -0.527 176.184 176.600 0.186 0.000 0.995 558 E CA -0.148 56.250 56.400 -0.004 0.000 0.915 558 E CB 0.053 29.719 29.700 -0.058 0.000 0.930 558 E HN 0.145 nan 8.360 nan 0.000 0.496 559 F N 1.263 121.247 119.950 0.056 0.000 2.604 559 F HA -0.098 4.430 4.527 0.002 0.000 0.393 559 F C 1.904 177.765 175.800 0.102 0.000 1.043 559 F CA -0.363 57.707 58.000 0.116 0.000 1.227 559 F CB -0.116 39.057 39.000 0.289 0.000 1.016 559 F HN -0.129 nan 8.300 nan 0.000 0.556 560 V N 2.430 122.466 119.914 0.204 0.000 2.809 560 V HA -0.188 3.933 4.120 0.002 0.000 0.256 560 V C 1.864 177.868 176.094 -0.151 0.000 1.080 560 V CA 1.125 63.498 62.300 0.122 0.000 1.102 560 V CB -0.615 31.287 31.823 0.132 0.000 0.705 560 V HN 0.652 nan 8.190 nan 0.000 0.475 561 I N -0.310 119.915 120.570 -0.576 0.000 2.830 561 I HA 0.132 4.303 4.170 0.002 0.000 0.263 561 I C 0.958 176.420 176.117 -1.091 0.000 1.230 561 I CA 0.826 61.360 61.300 -1.278 0.000 1.480 561 I CB -1.208 35.828 38.000 -1.607 0.000 1.095 561 I HN 0.308 nan 8.210 nan 0.000 0.455 562 F N 1.295 121.310 119.950 0.108 0.000 2.541 562 F HA 0.480 5.008 4.527 0.002 0.000 0.331 562 F C 0.562 176.595 175.800 0.389 0.000 1.057 562 F CA -1.038 57.115 58.000 0.254 0.000 0.975 562 F CB 1.096 40.214 39.000 0.197 0.000 1.246 562 F HN -0.197 nan 8.300 nan 0.000 0.484 563 K N -0.342 120.371 120.400 0.522 0.000 2.395 563 K HA 0.513 4.834 4.320 0.002 0.000 0.247 563 K C -0.988 175.780 176.600 0.279 0.000 0.973 563 K CA -1.019 55.479 56.287 0.352 0.000 0.828 563 K CB 1.793 34.448 32.500 0.257 0.000 1.272 563 K HN 0.322 nan 8.250 nan 0.000 0.439 564 E N 1.454 121.795 120.200 0.235 0.000 2.392 564 E HA 0.055 4.406 4.350 0.002 0.000 0.256 564 E C -0.403 176.324 176.600 0.212 0.000 1.145 564 E CA -0.071 56.462 56.400 0.222 0.000 0.929 564 E CB 0.488 30.320 29.700 0.220 0.000 0.998 564 E HN 0.532 nan 8.360 nan 0.000 0.442 565 D N 0.326 120.854 120.400 0.213 0.000 2.368 565 D HA 0.060 4.701 4.640 0.002 0.000 0.240 565 D C -0.055 176.407 176.300 0.270 0.000 1.169 565 D CA 0.222 54.358 54.000 0.227 0.000 0.906 565 D CB 0.596 41.540 40.800 0.240 0.000 1.187 565 D HN 0.092 nan 8.370 nan 0.000 0.435 566 S N 0.009 115.898 115.700 0.315 0.000 2.592 566 S HA 0.311 4.782 4.470 0.002 0.000 0.271 566 S C 0.315 175.083 174.600 0.279 0.000 1.326 566 S CA -0.614 57.742 58.200 0.260 0.000 1.024 566 S CB 0.563 63.895 63.200 0.220 0.000 0.921 566 S HN 0.197 nan 8.310 nan 0.000 0.527 567 L N 3.658 124.987 121.223 0.176 0.000 2.322 567 L HA 0.448 4.790 4.340 0.002 0.000 0.279 567 L C -1.928 175.013 176.870 0.119 0.000 1.036 567 L CA -2.273 52.657 54.840 0.149 0.000 0.807 567 L CB 1.256 43.373 42.059 0.098 0.000 1.226 567 L HN 0.410 nan 8.230 nan 0.000 0.433 568 P HA 0.055 nan 4.420 nan 0.000 0.269 568 P C 0.260 177.603 177.300 0.072 0.000 1.215 568 P CA -0.171 63.002 63.100 0.122 0.000 0.780 568 P CB 0.919 32.703 31.700 0.140 0.000 0.898 569 S N 1.037 116.776 115.700 0.065 0.000 2.402 569 S HA -0.164 4.307 4.470 0.002 0.000 0.233 569 S C 1.861 176.503 174.600 0.070 0.000 1.030 569 S CA 2.200 60.414 58.200 0.023 0.000 1.003 569 S CB -1.056 62.194 63.200 0.084 0.000 0.813 569 S HN 0.787 nan 8.310 nan 0.000 0.477 570 T N 0.274 114.875 114.554 0.078 0.000 2.821 570 T HA -0.013 4.338 4.350 0.002 0.000 0.267 570 T C 1.500 176.269 174.700 0.115 0.000 1.046 570 T CA 0.906 63.053 62.100 0.079 0.000 1.139 570 T CB -0.222 68.617 68.868 -0.048 0.000 0.871 570 T HN 0.189 nan 8.240 nan 0.000 0.454 571 E N 0.970 121.216 120.200 0.076 0.000 2.208 571 E HA 0.094 4.445 4.350 0.002 0.000 0.193 571 E C 2.097 178.729 176.600 0.053 0.000 0.988 571 E CA 0.337 56.777 56.400 0.066 0.000 0.828 571 E CB -0.450 29.285 29.700 0.058 0.000 0.763 571 E HN 0.361 nan 8.360 nan 0.000 0.478 572 L N 0.011 121.240 121.223 0.010 0.000 2.083 572 L HA -0.171 4.170 4.340 0.002 0.000 0.209 572 L C 2.071 178.904 176.870 -0.062 0.000 1.083 572 L CA 1.439 56.242 54.840 -0.061 0.000 0.752 572 L CB -0.800 41.157 42.059 -0.169 0.000 0.899 572 L HN 0.127 nan 8.230 nan 0.000 0.433 573 Y N 0.035 120.346 120.300 0.019 0.000 2.114 573 Y HA -0.252 4.299 4.550 0.002 0.000 0.284 573 Y C 2.458 178.370 175.900 0.020 0.000 1.143 573 Y CA 1.474 59.586 58.100 0.020 0.000 1.135 573 Y CB -0.485 37.979 38.460 0.007 0.000 0.980 573 Y HN 0.127 nan 8.280 nan 0.000 0.499 574 K N -0.488 120.021 120.400 0.182 0.000 2.044 574 K HA -0.230 4.091 4.320 0.002 0.000 0.210 574 K C 1.965 178.613 176.600 0.078 0.000 1.049 574 K CA 1.712 58.063 56.287 0.106 0.000 0.927 574 K CB -0.681 31.865 32.500 0.077 0.000 0.713 574 K HN 0.146 nan 8.250 nan 0.000 0.443 575 L N 1.307 122.569 121.223 0.065 0.000 2.191 575 L HA -0.129 4.212 4.340 0.002 0.000 0.212 575 L C 1.936 178.836 176.870 0.050 0.000 1.103 575 L CA 1.367 56.234 54.840 0.046 0.000 0.769 575 L CB -0.254 41.826 42.059 0.035 0.000 0.908 575 L HN 0.182 nan 8.230 nan 0.000 0.438 576 L N -1.487 119.777 121.223 0.068 0.000 2.141 576 L HA -0.173 4.168 4.340 0.002 0.000 0.209 576 L C 2.348 179.264 176.870 0.076 0.000 1.094 576 L CA 0.611 55.499 54.840 0.079 0.000 0.763 576 L CB -0.337 41.781 42.059 0.097 0.000 0.908 576 L HN 0.190 nan 8.230 nan 0.000 0.437 577 E N 0.676 120.922 120.200 0.078 0.000 2.209 577 E HA -0.194 4.157 4.350 0.002 0.000 0.196 577 E C 1.508 178.133 176.600 0.041 0.000 0.993 577 E CA 1.175 57.611 56.400 0.059 0.000 0.819 577 E CB 0.033 29.765 29.700 0.054 0.000 0.745 577 E HN 0.333 nan 8.360 nan 0.000 0.477 578 K N -1.083 119.339 120.400 0.036 0.000 2.410 578 K HA 0.232 4.553 4.320 0.002 0.000 0.200 578 K C 0.538 177.149 176.600 0.018 0.000 1.023 578 K CA 0.427 56.727 56.287 0.023 0.000 1.149 578 K CB 0.669 33.180 32.500 0.018 0.000 0.859 578 K HN 0.149 nan 8.250 nan 0.000 0.514 579 G N 2.391 111.208 108.800 0.027 0.000 2.295 579 G HA2 -0.305 3.656 3.960 0.002 0.000 0.287 579 G HA3 -0.305 3.656 3.960 0.002 0.000 0.287 579 G C -0.480 174.417 174.900 -0.005 0.000 1.055 579 G CA 0.480 45.592 45.100 0.020 0.000 0.922 579 G HN 0.300 nan 8.290 nan 0.000 0.503 580 K N -1.438 118.966 120.400 0.007 0.000 2.444 580 K HA 0.819 5.140 4.320 0.002 0.000 0.252 580 K C -0.206 176.396 176.600 0.003 0.000 0.993 580 K CA -0.587 55.693 56.287 -0.012 0.000 0.847 580 K CB 3.163 35.663 32.500 -0.001 0.000 1.340 580 K HN 0.780 nan 8.250 nan 0.000 0.446 581 V N -1.828 118.077 119.914 -0.015 0.000 3.012 581 V HA 0.523 4.644 4.120 0.002 0.000 0.307 581 V C -2.997 173.104 176.094 0.012 0.000 1.166 581 V CA -2.749 59.553 62.300 0.004 0.000 0.974 581 V CB 1.747 33.573 31.823 0.004 0.000 1.040 581 V HN 0.500 nan 8.190 nan 0.000 0.428 582 P HA 0.181 nan 4.420 nan 0.000 0.264 582 P C 0.246 177.583 177.300 0.062 0.000 1.193 582 P CA 0.193 63.327 63.100 0.057 0.000 0.763 582 P CB 0.297 32.030 31.700 0.054 0.000 0.810 583 F N 3.880 123.810 119.950 -0.033 0.000 2.026 583 F HA -0.270 4.258 4.527 0.002 0.000 0.296 583 F C 1.820 177.589 175.800 -0.051 0.000 1.133 583 F CA 2.018 59.990 58.000 -0.046 0.000 1.188 583 F CB -0.457 38.523 39.000 -0.034 0.000 0.968 583 F HN 0.293 nan 8.300 nan 0.000 0.476 584 D N 0.143 120.590 120.400 0.078 0.000 2.116 584 D HA -0.255 4.387 4.640 0.002 0.000 0.193 584 D C 2.431 178.650 176.300 -0.135 0.000 0.998 584 D CA 1.875 55.839 54.000 -0.060 0.000 0.836 584 D CB -0.534 40.321 40.800 0.092 0.000 0.951 584 D HN 0.358 nan 8.370 nan 0.000 0.449 585 M N 0.227 119.800 119.600 -0.044 0.000 2.267 585 M HA -0.167 4.314 4.480 0.002 0.000 0.263 585 M C 2.290 178.544 176.300 -0.076 0.000 1.063 585 M CA 0.870 56.149 55.300 -0.035 0.000 1.090 585 M CB -0.036 32.563 32.600 -0.002 0.000 1.392 585 M HN -0.073 nan 8.290 nan 0.000 0.422 586 S N 0.491 116.101 115.700 -0.151 0.000 2.348 586 S HA -0.105 4.366 4.470 0.002 0.000 0.219 586 S C 1.321 175.787 174.600 -0.223 0.000 1.033 586 S CA 1.234 59.321 58.200 -0.189 0.000 0.974 586 S CB 0.025 63.077 63.200 -0.247 0.000 0.868 586 S HN 0.636 nan 8.310 nan 0.000 0.459 587 E N -0.892 119.076 120.200 -0.387 0.000 2.630 587 E HA 0.253 4.604 4.350 0.002 0.000 0.218 587 E C -0.717 175.585 176.600 -0.498 0.000 0.977 587 E CA -0.077 56.089 56.400 -0.390 0.000 1.038 587 E CB 0.494 29.921 29.700 -0.455 0.000 1.051 587 E HN 0.280 nan 8.360 nan 0.000 0.487 588 D N 0.491 120.539 120.400 -0.586 0.000 2.692 588 D HA 0.069 4.710 4.640 0.002 0.000 0.290 588 D C 0.693 176.562 176.300 -0.718 0.000 1.455 588 D CA -0.335 53.063 54.000 -1.003 0.000 0.796 588 D CB -0.156 39.952 40.800 -1.153 0.000 1.131 588 D HN 0.185 nan 8.370 nan 0.000 0.467 589 F N 0.197 119.885 119.950 -0.436 0.000 2.307 589 F HA 0.080 4.608 4.527 0.002 0.000 0.301 589 F C 1.859 177.422 175.800 -0.394 0.000 1.076 589 F CA 0.970 58.672 58.000 -0.496 0.000 1.383 589 F CB -0.836 37.709 39.000 -0.759 0.000 1.055 589 F HN -0.022 nan 8.300 nan 0.000 0.526 590 G N -0.884 107.460 108.800 -0.761 0.000 2.813 590 G HA2 0.011 3.972 3.960 0.002 0.000 0.209 590 G HA3 0.011 3.972 3.960 0.002 0.000 0.209 590 G C 0.394 175.601 174.900 0.511 0.000 1.150 590 G CA -0.385 44.672 45.100 -0.071 0.000 0.785 590 G HN 0.461 nan 8.290 nan 0.000 0.535 591 Y N -0.412 120.012 120.300 0.207 0.000 2.357 591 Y HA 0.189 4.740 4.550 0.002 0.000 0.340 591 Y C 0.718 176.844 175.900 0.376 0.000 1.260 591 Y CA -1.305 56.997 58.100 0.337 0.000 1.425 591 Y CB 0.977 39.561 38.460 0.206 0.000 1.326 591 Y HN -0.118 nan 8.280 nan 0.000 0.580 592 L N 4.585 125.992 121.223 0.306 0.000 2.367 592 L HA 0.279 4.620 4.340 0.002 0.000 0.275 592 L C -2.512 174.537 176.870 0.298 0.000 1.129 592 L CA -1.777 53.007 54.840 -0.095 0.000 0.839 592 L CB 0.689 42.614 42.059 -0.223 0.000 1.133 592 L HN 0.364 nan 8.230 nan 0.000 0.453 593 P HA 0.015 nan 4.420 nan 0.000 0.261 593 P C 0.120 177.530 177.300 0.183 0.000 1.183 593 P CA 0.156 63.383 63.100 0.213 0.000 0.761 593 P CB 0.294 32.072 31.700 0.131 0.000 0.785 594 K N 5.271 125.793 120.400 0.203 0.000 2.280 594 K HA -0.186 4.135 4.320 0.002 0.000 0.202 594 K C 1.385 178.002 176.600 0.029 0.000 1.047 594 K CA 1.176 57.492 56.287 0.049 0.000 0.942 594 K CB -0.336 32.254 32.500 0.151 0.000 0.739 594 K HN 0.338 nan 8.250 nan 0.000 0.457 595 R N 1.028 121.555 120.500 0.044 0.000 2.328 595 R HA 0.008 4.349 4.340 0.002 0.000 0.207 595 R C 1.377 177.706 176.300 0.048 0.000 1.056 595 R CA 0.922 57.040 56.100 0.031 0.000 1.016 595 R CB -0.318 29.956 30.300 -0.043 0.000 0.872 595 R HN 0.243 nan 8.270 nan 0.000 0.471 596 L N 1.020 122.244 121.223 0.002 0.000 2.766 596 L HA 0.284 4.625 4.340 0.002 0.000 0.242 596 L C 2.031 178.836 176.870 -0.108 0.000 1.136 596 L CA -0.247 54.594 54.840 0.003 0.000 0.933 596 L CB 0.100 42.203 42.059 0.074 0.000 1.241 596 L HN 0.269 nan 8.230 nan 0.000 0.522 597 M N -0.829 118.586 119.600 -0.308 0.000 2.446 597 M HA -0.043 4.439 4.480 0.002 0.000 0.263 597 M C -0.103 176.035 176.300 -0.271 0.000 1.066 597 M CA 1.579 56.617 55.300 -0.435 0.000 1.087 597 M CB 0.118 32.131 32.600 -0.978 0.000 1.406 597 M HN 0.044 nan 8.290 nan 0.000 0.459 598 L N 2.093 123.127 121.223 -0.316 0.000 2.346 598 L HA 0.636 4.977 4.340 0.002 0.000 0.276 598 L C -2.323 174.389 176.870 -0.264 0.000 1.006 598 L CA -2.359 52.301 54.840 -0.300 0.000 0.817 598 L CB 1.852 43.716 42.059 -0.324 0.000 1.272 598 L HN -0.021 nan 8.230 nan 0.000 0.421 599 P HA 0.131 nan 4.420 nan 0.000 0.275 599 P C -0.589 176.581 177.300 -0.217 0.000 1.228 599 P CA -0.722 62.191 63.100 -0.313 0.000 0.786 599 P CB 0.787 32.271 31.700 -0.360 0.000 0.927 600 R N 1.441 121.830 120.500 -0.185 0.000 2.537 600 R HA 0.183 4.524 4.340 0.002 0.000 0.281 600 R C 0.830 177.028 176.300 -0.171 0.000 0.988 600 R CA 0.498 56.448 56.100 -0.250 0.000 1.077 600 R CB -0.193 29.812 30.300 -0.492 0.000 0.932 600 R HN 0.682 nan 8.270 nan 0.000 0.409 601 G N 1.666 110.437 108.800 -0.048 0.000 2.531 601 G HA2 0.323 4.284 3.960 0.002 0.000 0.253 601 G HA3 0.323 4.284 3.960 0.002 0.000 0.253 601 G C -0.664 174.305 174.900 0.115 0.000 1.439 601 G CA -0.054 45.083 45.100 0.061 0.000 1.056 601 G HN 0.722 nan 8.290 nan 0.000 0.555 602 T N -3.222 111.424 114.554 0.153 0.000 2.916 602 T HA 0.411 4.762 4.350 0.002 0.000 0.292 602 T C 0.910 175.699 174.700 0.149 0.000 1.055 602 T CA -0.662 61.525 62.100 0.144 0.000 1.009 602 T CB 2.364 71.282 68.868 0.085 0.000 1.118 602 T HN 0.472 nan 8.240 nan 0.000 0.497 603 K N 0.714 121.181 120.400 0.111 0.000 2.152 603 K HA -0.049 4.272 4.320 0.002 0.000 0.206 603 K C 1.958 178.654 176.600 0.159 0.000 1.048 603 K CA 1.702 58.073 56.287 0.139 0.000 0.933 603 K CB -0.802 31.731 32.500 0.055 0.000 0.721 603 K HN 0.820 nan 8.250 nan 0.000 0.447 604 G N -0.336 108.505 108.800 0.067 0.000 2.939 604 G HA2 0.240 4.201 3.960 0.002 0.000 0.210 604 G HA3 0.240 4.201 3.960 0.002 0.000 0.210 604 G C 0.137 174.979 174.900 -0.097 0.000 1.160 604 G CA 0.298 45.428 45.100 0.050 0.000 0.770 604 G HN 0.527 nan 8.290 nan 0.000 0.543 605 G N -0.736 107.911 108.800 -0.255 0.000 3.322 605 G HA2 -0.026 3.935 3.960 0.002 0.000 0.686 605 G HA3 -0.026 3.935 3.960 0.002 0.000 0.686 605 G C -0.801 173.896 174.900 -0.339 0.000 1.015 605 G CA -0.605 44.062 45.100 -0.721 0.000 0.826 605 G HN 0.536 nan 8.290 nan 0.000 0.538 606 F N 5.897 125.665 119.950 -0.303 0.000 2.420 606 F HA 0.687 5.215 4.527 0.002 0.000 0.342 606 F C -1.512 174.153 175.800 -0.224 0.000 1.113 606 F CA -2.289 55.575 58.000 -0.227 0.000 1.059 606 F CB 1.969 40.871 39.000 -0.163 0.000 1.128 606 F HN 0.401 nan 8.300 nan 0.000 0.475 607 P HA 0.156 nan 4.420 nan 0.000 0.271 607 P C -1.244 175.703 177.300 -0.589 0.000 1.220 607 P CA 0.580 63.367 63.100 -0.522 0.000 0.768 607 P CB 0.803 32.232 31.700 -0.452 0.000 0.848 608 F N 0.090 119.939 119.950 -0.167 0.000 2.923 608 F HA 0.434 4.962 4.527 0.002 0.000 0.323 608 F C -0.276 175.488 175.800 -0.061 0.000 1.189 608 F CA -0.357 57.547 58.000 -0.161 0.000 0.930 608 F CB 1.690 40.591 39.000 -0.165 0.000 1.414 608 F HN 0.324 nan 8.300 nan 0.000 0.496 609 Q N 0.636 120.602 119.800 0.276 0.000 2.320 609 Q HA 0.553 4.894 4.340 0.002 0.000 0.272 609 Q C -2.270 173.999 176.000 0.447 0.000 1.023 609 Q CA -0.703 55.295 55.803 0.326 0.000 0.855 609 Q CB 2.588 31.477 28.738 0.253 0.000 1.367 609 Q HN 0.389 nan 8.270 nan 0.000 0.406 610 F N 1.211 121.276 119.950 0.192 0.000 2.397 610 F HA 0.683 5.211 4.527 0.002 0.000 0.331 610 F C -0.094 175.828 175.800 0.204 0.000 1.090 610 F CA -0.932 57.196 58.000 0.214 0.000 1.065 610 F CB 2.120 41.238 39.000 0.197 0.000 1.184 610 F HN 0.460 nan 8.300 nan 0.000 0.499 611 V N 4.896 124.970 119.914 0.266 0.000 2.733 611 V HA 0.784 4.905 4.120 0.002 0.000 0.306 611 V C -1.696 174.515 176.094 0.195 0.000 1.084 611 V CA -0.741 61.573 62.300 0.023 0.000 0.905 611 V CB 1.828 33.360 31.823 -0.485 0.000 1.010 611 V HN 0.675 nan 8.190 nan 0.000 0.424 612 V N 4.379 124.418 119.914 0.208 0.000 2.513 612 V HA 0.815 4.936 4.120 0.002 0.000 0.299 612 V C -0.896 175.378 176.094 0.299 0.000 1.035 612 V CA -0.624 61.836 62.300 0.265 0.000 0.889 612 V CB 1.389 33.351 31.823 0.231 0.000 0.988 612 V HN 1.101 nan 8.190 nan 0.000 0.440 613 F N 4.809 124.845 119.950 0.143 0.000 2.557 613 F HA 0.769 5.297 4.527 0.002 0.000 0.316 613 F C -0.901 174.999 175.800 0.166 0.000 1.141 613 F CA -0.814 57.264 58.000 0.129 0.000 0.922 613 F CB 2.065 41.112 39.000 0.079 0.000 1.194 613 F HN 0.716 nan 8.300 nan 0.000 0.443 614 V N 8.536 128.215 119.914 -0.392 0.000 2.540 614 V HA 0.687 4.809 4.120 0.002 0.000 0.302 614 V C -1.832 174.099 176.094 -0.272 0.000 1.035 614 V CA -0.362 61.780 62.300 -0.263 0.000 0.873 614 V CB 1.437 33.223 31.823 -0.063 0.000 0.992 614 V HN 0.813 nan 8.190 nan 0.000 0.428 615 Y N 4.096 124.219 120.300 -0.295 0.000 2.634 615 Y HA 0.897 5.448 4.550 0.002 0.000 0.340 615 Y C -3.024 172.566 175.900 -0.516 0.000 1.058 615 Y CA -3.536 54.296 58.100 -0.447 0.000 1.081 615 Y CB 1.251 39.544 38.460 -0.279 0.000 1.295 615 Y HN 0.387 nan 8.280 nan 0.000 0.487 616 P HA 0.005 nan 4.420 nan 0.000 0.267 616 P C -1.018 176.224 177.300 -0.096 0.000 1.209 616 P CA 0.449 63.201 63.100 -0.580 0.000 0.763 616 P CB 0.049 31.410 31.700 -0.565 0.000 0.816 617 F N 5.073 124.941 119.950 -0.138 0.000 2.445 617 F HA 0.199 4.727 4.527 0.002 0.000 0.359 617 F C 0.903 176.698 175.800 -0.008 0.000 1.101 617 F CA -0.007 57.955 58.000 -0.063 0.000 1.177 617 F CB 0.385 39.360 39.000 -0.042 0.000 1.110 617 F HN 0.484 nan 8.300 nan 0.000 0.522 618 E N 1.823 121.648 120.200 -0.626 0.000 4.296 618 E HA 0.212 4.564 4.350 0.002 0.000 0.184 618 E C -0.618 175.644 176.600 -0.564 0.000 1.198 618 E CA -0.775 55.283 56.400 -0.569 0.000 0.767 618 E CB 0.178 29.735 29.700 -0.239 0.000 2.656 618 E HN 0.382 nan 8.360 nan 0.000 0.516 619 S N -0.155 115.388 115.700 -0.262 0.000 2.549 619 S HA 0.179 4.650 4.470 0.002 0.000 0.283 619 S C -0.332 174.219 174.600 -0.083 0.000 1.320 619 S CA 0.274 58.380 58.200 -0.157 0.000 1.058 619 S CB 0.188 63.335 63.200 -0.088 0.000 0.882 619 S HN 0.423 nan 8.310 nan 0.000 0.498 620 T N 3.693 118.221 114.554 -0.043 0.000 3.571 620 T HA 0.115 4.466 4.350 0.002 0.000 0.292 620 T C 1.247 175.964 174.700 0.028 0.000 0.994 620 T CA -0.242 61.880 62.100 0.037 0.000 0.996 620 T CB 0.267 69.192 68.868 0.095 0.000 1.185 620 T HN 0.667 nan 8.240 nan 0.000 0.482 621 T N 1.444 116.004 114.554 0.010 0.000 2.857 621 T HA 0.037 4.388 4.350 0.002 0.000 0.266 621 T C 1.087 175.801 174.700 0.023 0.000 1.048 621 T CA 0.977 63.084 62.100 0.012 0.000 1.139 621 T CB -0.011 68.857 68.868 0.001 0.000 0.874 621 T HN 0.281 nan 8.240 nan 0.000 0.455 622 K N 2.636 123.054 120.400 0.031 0.000 2.981 622 K HA 0.194 4.515 4.320 0.002 0.000 0.213 622 K C -0.062 176.569 176.600 0.051 0.000 1.154 622 K CA -0.472 55.837 56.287 0.038 0.000 1.111 622 K CB 0.173 32.696 32.500 0.038 0.000 0.975 622 K HN 0.494 nan 8.250 nan 0.000 0.462 623 N N 0.542 119.272 118.700 0.051 0.000 2.399 623 N HA 0.019 4.760 4.740 0.002 0.000 0.250 623 N C 0.133 175.669 175.510 0.044 0.000 1.272 623 N CA -0.035 53.047 53.050 0.053 0.000 0.928 623 N CB 0.891 39.403 38.487 0.041 0.000 1.158 623 N HN 0.092 nan 8.380 nan 0.000 0.463 624 L N 0.663 121.904 121.223 0.029 0.000 3.100 624 L HA 0.176 4.517 4.340 0.002 0.000 0.259 624 L C 1.077 177.958 176.870 0.018 0.000 1.316 624 L CA -0.294 54.569 54.840 0.040 0.000 0.992 624 L CB 0.067 42.152 42.059 0.043 0.000 1.390 624 L HN 0.587 nan 8.230 nan 0.000 0.550 625 T N 0.254 114.815 114.554 0.010 0.000 2.821 625 T HA -0.055 4.296 4.350 0.002 0.000 0.267 625 T C -0.518 174.221 174.700 0.065 0.000 1.046 625 T CA 1.235 63.334 62.100 -0.001 0.000 1.139 625 T CB -0.459 68.412 68.868 0.005 0.000 0.871 625 T HN 0.257 nan 8.240 nan 0.000 0.454 626 P HA -0.066 nan 4.420 nan 0.000 0.219 626 P C 0.724 178.253 177.300 0.381 0.000 1.146 626 P CA 0.913 64.136 63.100 0.205 0.000 0.808 626 P CB 0.007 31.828 31.700 0.202 0.000 0.779 627 Y N -0.377 119.998 120.300 0.125 0.000 2.226 627 Y HA 0.126 4.677 4.550 0.002 0.000 0.281 627 Y C 0.518 176.352 175.900 -0.110 0.000 1.107 627 Y CA 0.488 58.540 58.100 -0.080 0.000 1.109 627 Y CB 0.517 38.777 38.460 -0.333 0.000 1.047 627 Y HN -0.292 nan 8.280 nan 0.000 0.494 628 E N 1.474 121.510 120.200 -0.272 0.000 2.185 628 E HA 0.151 4.503 4.350 0.002 0.000 0.261 628 E C 0.309 176.686 176.600 -0.371 0.000 0.879 628 E CA -0.410 55.729 56.400 -0.434 0.000 0.756 628 E CB 1.876 31.126 29.700 -0.750 0.000 1.152 628 E HN 0.322 nan 8.360 nan 0.000 0.416 629 K N 1.770 122.097 120.400 -0.121 0.000 2.077 629 K HA -0.185 4.136 4.320 0.002 0.000 0.213 629 K C 1.786 178.327 176.600 -0.098 0.000 1.051 629 K CA 1.695 57.971 56.287 -0.019 0.000 0.929 629 K CB -0.572 32.017 32.500 0.149 0.000 0.715 629 K HN 0.551 nan 8.250 nan 0.000 0.451 630 F N 0.148 120.089 119.950 -0.015 0.000 2.546 630 F HA 0.069 4.597 4.527 0.002 0.000 0.298 630 F C 1.026 176.455 175.800 -0.617 0.000 1.120 630 F CA 0.025 57.877 58.000 -0.247 0.000 1.456 630 F CB -0.839 38.056 39.000 -0.174 0.000 1.088 630 F HN -0.188 nan 8.300 nan 0.000 0.572 631 M N 2.626 121.872 119.600 -0.589 0.000 3.422 631 M HA 0.218 4.699 4.480 0.002 0.000 0.248 631 M C -0.198 175.899 176.300 -0.337 0.000 1.433 631 M CA -0.323 54.712 55.300 -0.442 0.000 1.592 631 M CB -0.070 32.406 32.600 -0.207 0.000 1.078 631 M HN 0.248 nan 8.290 nan 0.000 0.578 632 I N -2.623 117.629 120.570 -0.529 0.000 3.884 632 I HA 0.441 4.612 4.170 0.002 0.000 0.330 632 I C -0.210 175.931 176.117 0.041 0.000 1.451 632 I CA -0.089 61.090 61.300 -0.201 0.000 1.165 632 I CB -0.512 37.361 38.000 -0.211 0.000 1.097 632 I HN 0.201 nan 8.210 nan 0.000 0.404 633 D N 0.011 120.522 120.400 0.185 0.000 2.714 633 D HA 0.314 4.956 4.640 0.002 0.000 0.278 633 D C 0.177 176.621 176.300 0.240 0.000 1.102 633 D CA -0.457 53.755 54.000 0.354 0.000 1.108 633 D CB 1.724 42.940 40.800 0.693 0.000 1.444 633 D HN -0.088 nan 8.370 nan 0.000 0.568 634 N N -0.601 118.200 118.700 0.169 0.000 2.388 634 N HA 0.016 4.757 4.740 0.002 0.000 0.176 634 N C -0.271 175.254 175.510 0.026 0.000 1.062 634 N CA 0.255 53.349 53.050 0.073 0.000 0.895 634 N CB 0.275 38.769 38.487 0.013 0.000 1.018 634 N HN 0.099 nan 8.380 nan 0.000 0.456 635 K N 1.977 122.368 120.400 -0.015 0.000 2.494 635 K HA 0.061 4.382 4.320 0.002 0.000 0.273 635 K C -2.322 174.241 176.600 -0.061 0.000 0.970 635 K CA -1.100 55.050 56.287 -0.228 0.000 0.963 635 K CB -0.410 31.782 32.500 -0.515 0.000 0.913 635 K HN 0.224 nan 8.250 nan 0.000 0.502 636 P HA 0.077 nan 4.420 nan 0.000 0.271 636 P C -0.007 177.356 177.300 0.105 0.000 1.216 636 P CA -0.186 62.960 63.100 0.077 0.000 0.771 636 P CB 0.440 32.220 31.700 0.133 0.000 0.864 637 L N 2.280 123.559 121.223 0.093 0.000 2.615 637 L HA 0.037 4.378 4.340 0.002 0.000 0.284 637 L C 1.819 178.771 176.870 0.136 0.000 1.237 637 L CA 1.238 56.049 54.840 -0.049 0.000 0.905 637 L CB -0.997 40.933 42.059 -0.216 0.000 1.149 637 L HN 0.866 nan 8.230 nan 0.000 0.499 638 G N 2.097 110.973 108.800 0.127 0.000 2.157 638 G HA2 -0.352 3.609 3.960 0.002 0.000 0.248 638 G HA3 -0.352 3.609 3.960 0.002 0.000 0.248 638 G C 0.018 175.149 174.900 0.384 0.000 0.979 638 G CA -0.121 45.269 45.100 0.482 0.000 0.650 638 G HN 0.651 nan 8.290 nan 0.000 0.529 639 Y N 2.552 122.876 120.300 0.040 0.000 2.712 639 Y HA 0.348 4.899 4.550 0.002 0.000 0.333 639 Y C -0.898 174.892 175.900 -0.184 0.000 1.225 639 Y CA -0.383 57.640 58.100 -0.127 0.000 1.499 639 Y CB 1.024 39.325 38.460 -0.265 0.000 1.288 639 Y HN 0.079 nan 8.280 nan 0.000 0.575 640 P HA 0.054 nan 4.420 nan 0.000 0.258 640 P C -0.414 176.362 177.300 -0.874 0.000 1.416 640 P CA 0.482 62.725 63.100 -1.428 0.000 0.927 640 P CB -0.189 30.265 31.700 -2.078 0.000 1.444 641 F N 1.309 121.080 119.950 -0.297 0.000 2.730 641 F HA 0.127 4.655 4.527 0.002 0.000 0.295 641 F C 1.663 177.629 175.800 0.276 0.000 1.143 641 F CA -0.419 57.547 58.000 -0.056 0.000 1.367 641 F CB -0.252 38.639 39.000 -0.182 0.000 0.970 641 F HN -0.027 nan 8.300 nan 0.000 0.514 642 D N 0.607 121.198 120.400 0.318 0.000 2.347 642 D HA -0.010 4.631 4.640 0.002 0.000 0.213 642 D C 0.597 177.013 176.300 0.194 0.000 0.985 642 D CA 0.304 54.529 54.000 0.375 0.000 0.879 642 D CB 0.413 41.399 40.800 0.310 0.000 0.919 642 D HN 0.410 nan 8.370 nan 0.000 0.526 643 R N -1.308 119.057 120.500 -0.225 0.000 2.741 643 R HA 0.528 4.869 4.340 0.002 0.000 0.274 643 R C -3.300 172.123 176.300 -1.461 0.000 1.029 643 R CA -1.499 54.045 56.100 -0.927 0.000 0.880 643 R CB -0.053 29.877 30.300 -0.617 0.000 1.264 643 R HN -0.288 nan 8.270 nan 0.000 0.465 644 P HA 0.118 nan 4.420 nan 0.000 0.273 644 P C -1.064 175.817 177.300 -0.698 0.000 1.250 644 P CA -0.617 61.706 63.100 -1.295 0.000 0.793 644 P CB 0.679 31.882 31.700 -0.828 0.000 1.011 645 V N 0.740 120.400 119.914 -0.422 0.000 2.823 645 V HA 0.247 4.368 4.120 0.002 0.000 0.312 645 V C -0.665 175.326 176.094 -0.171 0.000 1.072 645 V CA -0.847 61.293 62.300 -0.266 0.000 0.937 645 V CB 1.807 33.511 31.823 -0.198 0.000 1.013 645 V HN 0.372 nan 8.190 nan 0.000 0.430 646 D N 3.789 124.116 120.400 -0.122 0.000 2.419 646 D HA -0.015 4.626 4.640 0.002 0.000 0.281 646 D C 0.523 176.784 176.300 -0.066 0.000 1.398 646 D CA 0.748 54.698 54.000 -0.084 0.000 1.047 646 D CB 0.287 41.057 40.800 -0.050 0.000 1.115 646 D HN 0.760 nan 8.370 nan 0.000 0.540 647 T N 1.850 116.362 114.554 -0.070 0.000 2.777 647 T HA -0.037 4.314 4.350 0.002 0.000 0.273 647 T C -0.090 174.572 174.700 -0.063 0.000 1.016 647 T CA 0.601 62.666 62.100 -0.060 0.000 1.156 647 T CB 0.135 68.970 68.868 -0.056 0.000 1.019 647 T HN 0.234 nan 8.240 nan 0.000 0.503 648 S N 3.098 118.755 115.700 -0.072 0.000 2.626 648 S HA 0.294 4.765 4.470 0.002 0.000 0.275 648 S C 1.072 175.578 174.600 -0.156 0.000 1.175 648 S CA -0.466 57.678 58.200 -0.094 0.000 0.982 648 S CB 0.174 63.361 63.200 -0.022 0.000 1.093 648 S HN 1.037 nan 8.310 nan 0.000 0.472 649 C N 3.011 122.116 119.300 -0.325 0.000 2.466 649 C HA 0.398 4.860 4.460 0.002 0.000 0.283 649 C C 0.359 175.089 174.990 -0.434 0.000 1.472 649 C CA -0.294 58.463 59.018 -0.435 0.000 1.765 649 C CB -2.059 25.315 27.740 -0.609 0.000 1.724 649 C HN 0.600 nan 8.230 nan 0.000 0.560 650 F N 2.124 122.061 119.950 -0.022 0.000 2.361 650 F HA 0.448 4.976 4.527 0.002 0.000 0.364 650 F C 0.538 176.333 175.800 -0.007 0.000 1.117 650 F CA -1.553 56.437 58.000 -0.017 0.000 1.071 650 F CB 0.395 39.386 39.000 -0.015 0.000 1.188 650 F HN 0.072 nan 8.300 nan 0.000 0.464 651 K N 2.196 122.709 120.400 0.189 0.000 2.485 651 K HA 0.007 4.328 4.320 0.002 0.000 0.277 651 K C 0.146 176.831 176.600 0.141 0.000 0.990 651 K CA -0.277 56.099 56.287 0.149 0.000 0.994 651 K CB 0.564 33.151 32.500 0.146 0.000 0.906 651 K HN 0.544 nan 8.250 nan 0.000 0.488 652 Q N 4.091 123.980 119.800 0.148 0.000 2.373 652 Q HA 0.091 4.433 4.340 0.002 0.000 0.255 652 Q C -1.771 174.318 176.000 0.148 0.000 0.980 652 Q CA -1.442 54.429 55.803 0.114 0.000 0.882 652 Q CB 1.148 29.991 28.738 0.176 0.000 1.249 652 Q HN 0.403 nan 8.270 nan 0.000 0.438 653 P HA -0.130 nan 4.420 nan 0.000 0.221 653 P C -0.062 177.349 177.300 0.185 0.000 1.150 653 P CA 1.077 64.261 63.100 0.139 0.000 0.800 653 P CB 0.197 31.957 31.700 0.100 0.000 0.787 654 N N 0.056 118.881 118.700 0.209 0.000 2.362 654 N HA 0.070 4.811 4.740 0.002 0.000 0.211 654 N C 0.227 175.855 175.510 0.197 0.000 1.170 654 N CA -0.119 53.033 53.050 0.170 0.000 0.828 654 N CB -0.055 38.538 38.487 0.176 0.000 1.034 654 N HN 0.273 nan 8.380 nan 0.000 0.475 655 I N -0.355 120.389 120.570 0.291 0.000 2.686 655 I HA 0.508 4.679 4.170 0.002 0.000 0.295 655 I C -1.886 174.447 176.117 0.360 0.000 1.114 655 I CA -1.120 60.382 61.300 0.337 0.000 1.038 655 I CB 2.180 40.410 38.000 0.383 0.000 1.238 655 I HN -0.145 nan 8.210 nan 0.000 0.420 656 F N 6.764 126.765 119.950 0.086 0.000 2.569 656 F HA 0.593 5.121 4.527 0.002 0.000 0.312 656 F C -1.732 174.081 175.800 0.022 0.000 1.109 656 F CA -0.532 57.553 58.000 0.143 0.000 0.919 656 F CB 1.664 40.746 39.000 0.137 0.000 1.211 656 F HN 0.167 nan 8.300 nan 0.000 0.446 657 F N 4.322 124.109 119.950 -0.272 0.000 2.458 657 F HA 0.641 5.170 4.527 0.002 0.000 0.336 657 F C -0.407 175.313 175.800 -0.134 0.000 1.114 657 F CA -0.762 57.201 58.000 -0.062 0.000 0.987 657 F CB 1.792 40.754 39.000 -0.064 0.000 1.130 657 F HN 0.321 nan 8.300 nan 0.000 0.458 658 R N 2.278 122.959 120.500 0.301 0.000 2.476 658 R HA 0.382 4.723 4.340 0.002 0.000 0.305 658 R C -1.489 174.945 176.300 0.224 0.000 0.965 658 R CA -0.639 55.630 56.100 0.282 0.000 0.867 658 R CB 0.627 31.168 30.300 0.401 0.000 1.176 658 R HN 0.458 nan 8.270 nan 0.000 0.447 659 D N 1.914 122.394 120.400 0.133 0.000 2.443 659 D HA 0.226 4.867 4.640 0.002 0.000 0.239 659 D C -0.641 175.703 176.300 0.073 0.000 1.136 659 D CA 0.413 54.459 54.000 0.076 0.000 0.879 659 D CB 1.143 41.951 40.800 0.013 0.000 1.195 659 D HN 0.224 nan 8.370 nan 0.000 0.443 660 V N 1.035 120.988 119.914 0.065 0.000 3.012 660 V HA 0.437 4.558 4.120 0.002 0.000 0.307 660 V C -0.906 175.202 176.094 0.023 0.000 1.166 660 V CA -0.498 61.816 62.300 0.024 0.000 0.974 660 V CB 2.523 34.347 31.823 0.003 0.000 1.040 660 V HN 0.533 nan 8.190 nan 0.000 0.428 661 S N 2.551 118.241 115.700 -0.016 0.000 2.561 661 S HA 0.624 5.095 4.470 0.002 0.000 0.303 661 S C -0.852 173.683 174.600 -0.109 0.000 1.110 661 S CA -0.465 57.669 58.200 -0.110 0.000 1.034 661 S CB 1.798 64.831 63.200 -0.277 0.000 1.010 661 S HN 0.516 nan 8.310 nan 0.000 0.482 662 V N 4.860 124.743 119.914 -0.052 0.000 2.348 662 V HA 0.381 4.503 4.120 0.002 0.000 0.270 662 V C -0.939 175.128 176.094 -0.045 0.000 1.037 662 V CA -0.454 61.853 62.300 0.012 0.000 0.872 662 V CB -0.385 31.480 31.823 0.069 0.000 1.002 662 V HN 0.764 nan 8.190 nan 0.000 0.464 663 Y N 2.751 123.093 120.300 0.070 0.000 2.458 663 Y HA 0.561 5.112 4.550 0.002 0.000 0.322 663 Y C 0.485 176.466 175.900 0.134 0.000 1.259 663 Y CA -0.755 57.401 58.100 0.093 0.000 1.302 663 Y CB 0.903 39.394 38.460 0.052 0.000 1.314 663 Y HN 0.567 nan 8.280 nan 0.000 0.509 664 H N 0.947 120.143 119.070 0.211 0.000 2.782 664 H HA 0.365 4.922 4.556 0.002 0.000 0.347 664 H C -1.393 174.018 175.328 0.138 0.000 1.038 664 H CA -0.593 55.530 56.048 0.124 0.000 1.255 664 H CB 1.386 31.188 29.762 0.067 0.000 1.623 664 H HN 0.846 nan 8.280 nan 0.000 0.525 665 E N 2.087 122.122 120.200 -0.275 0.000 2.232 665 E HA 0.477 4.829 4.350 0.002 0.000 0.265 665 E C 0.397 176.895 176.600 -0.170 0.000 1.001 665 E CA -0.331 55.984 56.400 -0.141 0.000 0.870 665 E CB 2.022 31.664 29.700 -0.096 0.000 1.175 665 E HN 0.912 nan 8.360 nan 0.000 0.407 666 G N 1.558 110.353 108.800 -0.009 0.000 2.598 666 G HA2 -0.294 3.667 3.960 0.002 0.000 0.244 666 G HA3 -0.294 3.667 3.960 0.002 0.000 0.244 666 G C -0.338 174.646 174.900 0.140 0.000 1.302 666 G CA -0.198 44.957 45.100 0.092 0.000 0.903 666 G HN 0.544 nan 8.290 nan 0.000 0.575 667 E N -0.614 119.675 120.200 0.148 0.000 2.384 667 E HA 0.401 4.752 4.350 0.002 0.000 0.266 667 E C 0.925 177.679 176.600 0.258 0.000 1.012 667 E CA 0.286 56.690 56.400 0.007 0.000 0.901 667 E CB 0.477 29.873 29.700 -0.507 0.000 0.967 667 E HN 0.518 nan 8.360 nan 0.000 0.435 668 Y N 3.983 124.264 120.300 -0.032 0.000 2.184 668 Y HA -0.081 4.471 4.550 0.002 0.000 0.290 668 Y C 0.506 176.244 175.900 -0.271 0.000 1.129 668 Y CA 1.199 59.191 58.100 -0.180 0.000 1.144 668 Y CB 0.358 38.556 38.460 -0.437 0.000 0.995 668 Y HN 0.524 nan 8.280 nan 0.000 0.513 669 H N 0.040 118.989 119.070 -0.202 0.000 2.562 669 H HA 0.319 4.876 4.556 0.002 0.000 0.314 669 H C 1.076 175.992 175.328 -0.686 0.000 1.079 669 H CA 0.128 55.834 56.048 -0.570 0.000 1.349 669 H CB 1.651 30.774 29.762 -1.066 0.000 1.432 669 H HN 0.434 nan 8.280 nan 0.000 0.479 670 A N 4.312 126.721 122.820 -0.685 0.000 1.940 670 A HA -0.237 4.084 4.320 0.002 0.000 0.219 670 A C 1.887 179.332 177.584 -0.230 0.000 1.176 670 A CA 1.571 53.145 52.037 -0.771 0.000 0.631 670 A CB -1.059 17.409 19.000 -0.886 0.000 0.814 670 A HN 0.860 nan 8.150 nan 0.000 0.446 671 Y N -1.157 119.126 120.300 -0.029 0.000 2.384 671 Y HA -0.107 4.445 4.550 0.002 0.000 0.289 671 Y C 1.809 177.705 175.900 -0.006 0.000 1.152 671 Y CA 0.921 59.035 58.100 0.023 0.000 1.258 671 Y CB -0.433 38.053 38.460 0.044 0.000 0.979 671 Y HN 0.192 nan 8.280 nan 0.000 0.549 672 E N 0.596 120.675 120.200 -0.202 0.000 2.153 672 E HA -0.184 4.168 4.350 0.002 0.000 0.194 672 E C 1.463 177.862 176.600 -0.334 0.000 0.988 672 E CA 1.175 57.422 56.400 -0.256 0.000 0.811 672 E CB -0.483 28.909 29.700 -0.514 0.000 0.746 672 E HN 0.699 nan 8.360 nan 0.000 0.466 673 Y N 0.608 120.821 120.300 -0.145 0.000 2.583 673 Y HA 0.002 4.553 4.550 0.002 0.000 0.293 673 Y C 1.371 177.501 175.900 0.383 0.000 1.157 673 Y CA 0.527 58.581 58.100 -0.077 0.000 1.315 673 Y CB 0.061 38.426 38.460 -0.158 0.000 1.021 673 Y HN 0.005 nan 8.280 nan 0.000 0.536 674 N N -0.589 118.366 118.700 0.424 0.000 2.235 674 N HA 0.085 4.826 4.740 0.002 0.000 0.209 674 N C -0.521 175.257 175.510 0.446 0.000 1.122 674 N CA 0.139 53.457 53.050 0.447 0.000 0.845 674 N CB 0.650 39.346 38.487 0.348 0.000 1.004 674 N HN -0.064 nan 8.380 nan 0.000 0.499 675 V N 2.648 122.758 119.914 0.325 0.000 2.455 675 V HA 0.103 4.224 4.120 0.002 0.000 0.273 675 V C -1.207 174.803 176.094 -0.140 0.000 1.045 675 V CA -1.155 61.229 62.300 0.139 0.000 0.976 675 V CB 1.640 33.511 31.823 0.081 0.000 0.993 675 V HN -0.015 nan 8.190 nan 0.000 0.475 676 P HA -0.256 nan 4.420 nan 0.000 0.217 676 P C 1.563 178.353 177.300 -0.850 0.000 1.158 676 P CA 2.074 64.506 63.100 -1.113 0.000 0.887 676 P CB 0.178 31.593 31.700 -0.476 0.000 0.792 677 A N -2.307 120.280 122.820 -0.389 0.000 2.024 677 A HA -0.239 4.082 4.320 0.002 0.000 0.220 677 A C 2.216 179.667 177.584 -0.222 0.000 1.164 677 A CA 1.568 53.456 52.037 -0.248 0.000 0.643 677 A CB -1.675 17.251 19.000 -0.122 0.000 0.806 677 A HN 0.228 nan 8.150 nan 0.000 0.451 678 Y N 0.043 120.160 120.300 -0.306 0.000 2.177 678 Y HA -0.013 4.538 4.550 0.002 0.000 0.291 678 Y C 1.843 177.635 175.900 -0.179 0.000 1.117 678 Y CA 1.674 59.664 58.100 -0.183 0.000 1.114 678 Y CB -0.506 37.932 38.460 -0.037 0.000 1.017 678 Y HN 0.370 nan 8.280 nan 0.000 0.505 679 F N -1.652 118.277 119.950 -0.035 0.000 2.771 679 F HA 0.187 4.715 4.527 0.002 0.000 0.299 679 F C 1.563 177.365 175.800 0.002 0.000 1.177 679 F CA 0.757 58.708 58.000 -0.082 0.000 1.450 679 F CB -0.723 38.130 39.000 -0.246 0.000 1.114 679 F HN -0.118 nan 8.300 nan 0.000 0.587 680 S N -1.333 114.232 115.700 -0.225 0.000 2.556 680 S HA 0.129 4.600 4.470 0.002 0.000 0.216 680 S C -0.418 174.222 174.600 0.067 0.000 0.970 680 S CA -0.027 58.145 58.200 -0.047 0.000 0.912 680 S CB -0.559 62.511 63.200 -0.218 0.000 0.790 680 S HN 0.587 nan 8.310 nan 0.000 0.504 681 H N 0.000 118.951 119.070 -0.198 0.000 2.539 681 H HA 0.000 4.557 4.556 0.002 0.000 0.296 681 H CA 0.000 55.939 56.048 -0.182 0.000 1.023 681 H CB 0.000 29.691 29.762 -0.119 0.000 1.292 681 H HN 0.000 nan 8.280 nan 0.000 0.496