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 1gz3_1_C DATA FIRST_RESID 20 DATA SEQUENCE HIKEKGKPLM LNPRTNKGMA FTLQERQMLG LQGLLPPKIE TQDIQALRFH DATA SEQUENCE RNLKKMTSPL EKYIYIMGIQ ERNEKLFYRI LQDDIESLMP IVYTPTVGLA DATA SEQUENCE CSQYGHIFRR PKGLFISISD RGHVRSIVDN WPENHVKAVV VTDGERILGL DATA SEQUENCE GDLGVYGMGI PVGKLCLYTA CAGIRPDQCL PVCIDVGTDN IALLKDPFYM DATA SEQUENCE GLYQKRDRTQ QYDDLIDEFM KAITDRYGRN TLIQFEDFGN HNAFRFLRKY DATA SEQUENCE REKYCTFNDD IQGTAAVALA GLLAAQKVIS KPISEHKILF LGAGEAALGI DATA SEQUENCE ANLIVMSMVE NGLSEQEAQK KIWMFDKYGL LVKGRKAKID SYQEPFTHSA DATA SEQUENCE PESIPDTFED AVNILKPSTI IGVAGAGRLF TPDVIRAMAS INERPVIFAL DATA SEQUENCE SNPTAQAECT AEEAYTLTEG RCLFASGSPF GPVKLTDGRV FTPGQGNNVY DATA SEQUENCE IFPGVALAVI LCNTRHISDS VFLEAAKALT SQLTDEELAQ GRLYPPLANI DATA SEQUENCE QEVSINIAIK VTEYLYANKM AFVYPEPEDK AKYVKEQTWR SEYDSLLPDV DATA SEQUENCE YEWP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 H HA 0.000 nan 4.556 nan 0.000 0.296 20 H C 0.000 175.354 175.328 0.044 0.000 0.993 20 H CA 0.000 56.075 56.048 0.045 0.000 1.023 20 H CB 0.000 29.785 29.762 0.039 0.000 1.292 21 I N 2.220 122.868 120.570 0.129 0.000 2.331 21 I HA 0.107 4.271 4.170 -0.009 0.000 0.292 21 I C 0.629 176.776 176.117 0.050 0.000 0.998 21 I CA -0.111 61.233 61.300 0.074 0.000 1.267 21 I CB 0.898 38.928 38.000 0.050 0.000 1.386 21 I HN 0.394 nan 8.210 nan 0.000 0.476 22 K N 5.202 125.632 120.400 0.049 0.000 2.393 22 K HA 0.230 4.545 4.320 -0.009 0.000 0.193 22 K C -0.040 176.567 176.600 0.013 0.000 1.026 22 K CA 0.307 56.614 56.287 0.032 0.000 1.064 22 K CB 0.166 32.686 32.500 0.033 0.000 0.833 22 K HN 0.518 nan 8.250 nan 0.000 0.521 23 E N 1.373 121.580 120.200 0.012 0.000 2.212 23 E HA 0.269 4.613 4.350 -0.009 0.000 0.270 23 E C -0.282 176.309 176.600 -0.015 0.000 0.956 23 E CA -0.370 56.030 56.400 -0.001 0.000 0.825 23 E CB 2.059 31.761 29.700 0.005 0.000 1.167 23 E HN 0.084 nan 8.360 nan 0.000 0.400 24 K N -1.211 119.171 120.400 -0.031 0.000 2.495 24 K HA 0.751 5.066 4.320 -0.009 0.000 0.268 24 K C 0.294 176.854 176.600 -0.067 0.000 1.008 24 K CA -0.486 55.768 56.287 -0.056 0.000 0.882 24 K CB 1.414 33.879 32.500 -0.058 0.000 1.443 24 K HN 0.583 nan 8.250 nan 0.000 0.447 25 G N 1.293 110.033 108.800 -0.099 0.000 2.645 25 G HA2 -0.336 3.619 3.960 -0.009 0.000 0.239 25 G HA3 -0.336 3.619 3.960 -0.009 0.000 0.239 25 G C 0.451 175.293 174.900 -0.096 0.000 1.331 25 G CA 0.528 45.569 45.100 -0.098 0.000 0.890 25 G HN 0.845 nan 8.290 nan 0.000 0.572 26 K N 1.098 121.454 120.400 -0.073 0.000 2.107 26 K HA -0.108 4.206 4.320 -0.009 0.000 0.211 26 K C 0.205 176.786 176.600 -0.033 0.000 1.049 26 K CA 2.938 59.193 56.287 -0.053 0.000 0.927 26 K CB -1.326 31.151 32.500 -0.038 0.000 0.714 26 K HN 0.339 nan 8.250 nan 0.000 0.452 27 P HA -0.167 nan 4.420 nan 0.000 0.217 27 P C 0.974 178.279 177.300 0.008 0.000 1.148 27 P CA 1.231 64.323 63.100 -0.012 0.000 0.834 27 P CB -0.006 31.685 31.700 -0.016 0.000 0.783 28 L N -2.561 118.665 121.223 0.006 0.000 2.201 28 L HA -0.102 4.233 4.340 -0.009 0.000 0.212 28 L C 2.341 179.302 176.870 0.152 0.000 1.105 28 L CA 1.309 56.191 54.840 0.070 0.000 0.775 28 L CB -0.578 41.497 42.059 0.027 0.000 0.913 28 L HN 0.033 nan 8.230 nan 0.000 0.440 29 M N -1.224 118.431 119.600 0.090 0.000 2.394 29 M HA -0.059 4.415 4.480 -0.009 0.000 0.266 29 M C 2.007 178.353 176.300 0.078 0.000 1.098 29 M CA 1.132 56.514 55.300 0.136 0.000 1.149 29 M CB 0.058 32.705 32.600 0.078 0.000 1.369 29 M HN 0.163 nan 8.290 nan 0.000 0.450 30 L N -0.103 121.142 121.223 0.037 0.000 2.291 30 L HA -0.048 4.286 4.340 -0.009 0.000 0.214 30 L C 0.968 177.842 176.870 0.007 0.000 1.120 30 L CA 0.211 55.059 54.840 0.013 0.000 0.799 30 L CB -0.527 41.531 42.059 -0.002 0.000 0.925 30 L HN 0.266 nan 8.230 nan 0.000 0.446 31 N N 1.011 119.724 118.700 0.022 0.000 2.420 31 N HA 0.101 4.836 4.740 -0.009 0.000 0.249 31 N C -1.652 173.873 175.510 0.024 0.000 1.033 31 N CA -2.193 50.863 53.050 0.009 0.000 0.944 31 N CB 1.376 39.872 38.487 0.014 0.000 1.113 31 N HN -0.122 nan 8.380 nan 0.000 0.502 32 P HA -0.159 nan 4.420 nan 0.000 0.219 32 P C 1.083 178.407 177.300 0.040 0.000 1.146 32 P CA 0.832 63.933 63.100 0.002 0.000 0.808 32 P CB 0.569 32.240 31.700 -0.049 0.000 0.779 33 R N 0.645 121.168 120.500 0.040 0.000 2.120 33 R HA -0.079 4.255 4.340 -0.009 0.000 0.234 33 R C 2.191 178.563 176.300 0.119 0.000 1.123 33 R CA 2.349 58.496 56.100 0.079 0.000 0.975 33 R CB -1.075 29.253 30.300 0.047 0.000 0.866 33 R HN 0.308 nan 8.270 nan 0.000 0.446 34 T N -3.529 111.085 114.554 0.101 0.000 3.000 34 T HA 0.124 4.468 4.350 -0.009 0.000 0.248 34 T C 0.625 175.374 174.700 0.081 0.000 1.034 34 T CA -0.215 61.956 62.100 0.119 0.000 1.060 34 T CB -0.377 68.577 68.868 0.144 0.000 0.983 34 T HN 0.083 nan 8.240 nan 0.000 0.482 35 N N 2.054 120.809 118.700 0.091 0.000 2.359 35 N HA 0.041 4.775 4.740 -0.009 0.000 0.261 35 N C 0.462 175.833 175.510 -0.231 0.000 1.267 35 N CA 0.419 53.496 53.050 0.044 0.000 0.864 35 N CB 0.532 39.072 38.487 0.089 0.000 1.063 35 N HN 0.380 nan 8.380 nan 0.000 0.474 36 K N 2.230 122.159 120.400 -0.785 0.000 2.374 36 K HA 0.217 4.531 4.320 -0.009 0.000 0.202 36 K C 1.059 177.356 176.600 -0.506 0.000 1.040 36 K CA 0.127 55.858 56.287 -0.927 0.000 1.085 36 K CB 0.328 31.803 32.500 -1.708 0.000 0.873 36 K HN 0.790 nan 8.250 nan 0.000 0.539 37 G N 2.311 110.997 108.800 -0.190 0.000 2.566 37 G HA2 -0.383 3.571 3.960 -0.009 0.000 0.280 37 G HA3 -0.383 3.571 3.960 -0.009 0.000 0.280 37 G C 0.624 175.551 174.900 0.044 0.000 1.225 37 G CA 0.299 45.403 45.100 0.008 0.000 0.966 37 G HN 0.196 nan 8.290 nan 0.000 0.560 38 M N 1.660 121.277 119.600 0.029 0.000 2.686 38 M HA 0.190 4.664 4.480 -0.009 0.000 0.246 38 M C 2.485 178.780 176.300 -0.009 0.000 1.096 38 M CA 1.159 56.484 55.300 0.043 0.000 1.076 38 M CB -0.123 32.502 32.600 0.041 0.000 1.504 38 M HN 0.702 nan 8.290 nan 0.000 0.524 39 A N -0.159 122.576 122.820 -0.142 0.000 2.208 39 A HA 0.119 4.434 4.320 -0.009 0.000 0.209 39 A C 0.476 177.889 177.584 -0.284 0.000 1.161 39 A CA -0.100 51.785 52.037 -0.254 0.000 0.782 39 A CB -0.429 18.265 19.000 -0.511 0.000 0.816 39 A HN 0.348 nan 8.150 nan 0.000 0.477 40 F N 2.041 121.872 119.950 -0.198 0.000 2.578 40 F HA 0.157 4.680 4.527 -0.007 0.000 0.376 40 F C 1.674 177.415 175.800 -0.098 0.000 1.085 40 F CA 0.555 58.463 58.000 -0.154 0.000 1.260 40 F CB 0.727 39.660 39.000 -0.110 0.000 1.095 40 F HN 0.199 nan 8.300 nan 0.000 0.573 41 T N 1.692 116.321 114.554 0.125 0.000 2.766 41 T HA 0.083 4.428 4.350 -0.009 0.000 0.295 41 T C 1.014 175.746 174.700 0.053 0.000 1.024 41 T CA -0.914 61.224 62.100 0.062 0.000 1.018 41 T CB 0.964 69.857 68.868 0.041 0.000 1.002 41 T HN 0.579 nan 8.240 nan 0.000 0.532 42 L N 0.669 121.908 121.223 0.027 0.000 2.042 42 L HA -0.085 4.249 4.340 -0.009 0.000 0.210 42 L C 2.829 179.698 176.870 -0.003 0.000 1.076 42 L CA 1.727 56.572 54.840 0.009 0.000 0.749 42 L CB -1.008 41.055 42.059 0.005 0.000 0.893 42 L HN 0.714 nan 8.230 nan 0.000 0.432 43 Q N -0.327 119.475 119.800 0.004 0.000 2.084 43 Q HA -0.231 4.103 4.340 -0.009 0.000 0.202 43 Q C 2.111 178.104 176.000 -0.012 0.000 0.978 43 Q CA 2.061 57.861 55.803 -0.005 0.000 0.844 43 Q CB -0.176 28.564 28.738 0.004 0.000 0.898 43 Q HN 0.696 nan 8.270 nan 0.000 0.426 44 E N 0.384 120.589 120.200 0.008 0.000 2.077 44 E HA -0.167 4.177 4.350 -0.009 0.000 0.193 44 E C 2.141 178.689 176.600 -0.087 0.000 0.989 44 E CA 0.737 57.138 56.400 0.001 0.000 0.800 44 E CB -0.081 29.688 29.700 0.114 0.000 0.746 44 E HN 0.267 nan 8.360 nan 0.000 0.452 45 R N 0.873 121.317 120.500 -0.093 0.000 2.073 45 R HA -0.159 4.175 4.340 -0.009 0.000 0.234 45 R C 2.479 178.706 176.300 -0.121 0.000 1.134 45 R CA 1.506 57.510 56.100 -0.160 0.000 0.952 45 R CB -0.267 29.971 30.300 -0.104 0.000 0.850 45 R HN 0.263 nan 8.270 nan 0.000 0.433 46 Q N 0.144 119.899 119.800 -0.076 0.000 2.046 46 Q HA -0.095 4.239 4.340 -0.009 0.000 0.200 46 Q C 2.184 178.143 176.000 -0.068 0.000 0.975 46 Q CA 1.420 57.185 55.803 -0.064 0.000 0.836 46 Q CB -0.060 28.651 28.738 -0.044 0.000 0.896 46 Q HN 0.374 nan 8.270 nan 0.000 0.428 47 M N 0.113 119.673 119.600 -0.065 0.000 2.319 47 M HA -0.058 4.417 4.480 -0.009 0.000 0.265 47 M C 1.495 177.747 176.300 -0.079 0.000 1.068 47 M CA 1.059 56.320 55.300 -0.065 0.000 1.118 47 M CB 0.161 32.729 32.600 -0.054 0.000 1.395 47 M HN 0.167 nan 8.290 nan 0.000 0.435 48 L N -0.531 120.630 121.223 -0.104 0.000 2.628 48 L HA 0.279 4.613 4.340 -0.009 0.000 0.229 48 L C 0.928 177.714 176.870 -0.139 0.000 1.137 48 L CA -0.159 54.608 54.840 -0.123 0.000 0.909 48 L CB -0.277 41.690 42.059 -0.154 0.000 1.137 48 L HN 0.529 nan 8.230 nan 0.000 0.470 49 G N 0.894 109.620 108.800 -0.123 0.000 2.225 49 G HA2 -0.267 3.688 3.960 -0.009 0.000 0.264 49 G HA3 -0.267 3.688 3.960 -0.009 0.000 0.264 49 G C 0.488 175.304 174.900 -0.140 0.000 1.060 49 G CA 0.298 45.330 45.100 -0.113 0.000 0.833 49 G HN 0.386 nan 8.290 nan 0.000 0.498 50 L N -1.267 119.846 121.223 -0.184 0.000 2.701 50 L HA 0.285 4.619 4.340 -0.009 0.000 0.238 50 L C 1.400 178.183 176.870 -0.145 0.000 1.106 50 L CA -0.247 54.464 54.840 -0.215 0.000 0.898 50 L CB 0.164 41.982 42.059 -0.401 0.000 1.188 50 L HN 0.284 nan 8.230 nan 0.000 0.508 51 Q N 1.329 121.062 119.800 -0.112 0.000 2.262 51 Q HA 0.238 4.573 4.340 -0.009 0.000 0.298 51 Q C 1.099 177.064 176.000 -0.058 0.000 1.083 51 Q CA 1.500 57.259 55.803 -0.073 0.000 0.962 51 Q CB 0.460 29.163 28.738 -0.059 0.000 1.104 51 Q HN 0.389 nan 8.270 nan 0.000 0.376 52 G N 2.985 111.758 108.800 -0.044 0.000 2.254 52 G HA2 -0.255 3.699 3.960 -0.009 0.000 0.225 52 G HA3 -0.255 3.699 3.960 -0.009 0.000 0.225 52 G C 0.492 175.373 174.900 -0.032 0.000 1.003 52 G CA 0.224 45.304 45.100 -0.034 0.000 0.622 52 G HN 0.569 nan 8.290 nan 0.000 0.507 53 L N 0.415 121.611 121.223 -0.045 0.000 2.558 53 L HA 0.487 4.822 4.340 -0.009 0.000 0.225 53 L C 0.895 177.752 176.870 -0.022 0.000 1.128 53 L CA 0.369 55.185 54.840 -0.039 0.000 0.868 53 L CB 0.005 42.027 42.059 -0.062 0.000 1.006 53 L HN 0.185 nan 8.230 nan 0.000 0.454 54 L N -0.939 120.274 121.223 -0.017 0.000 2.354 54 L HA 0.508 4.843 4.340 -0.009 0.000 0.264 54 L C -2.320 174.556 176.870 0.011 0.000 1.008 54 L CA -1.958 52.889 54.840 0.011 0.000 0.819 54 L CB 1.766 43.845 42.059 0.032 0.000 1.339 54 L HN -0.263 nan 8.230 nan 0.000 0.420 55 P HA 0.135 nan 4.420 nan 0.000 0.269 55 P C -2.130 175.180 177.300 0.016 0.000 1.215 55 P CA -0.925 62.185 63.100 0.016 0.000 0.780 55 P CB 0.148 31.860 31.700 0.021 0.000 0.898 56 P HA -0.167 nan 4.420 nan 0.000 0.218 56 P C 0.143 177.452 177.300 0.015 0.000 1.146 56 P CA 1.327 64.432 63.100 0.009 0.000 0.813 56 P CB 0.026 31.729 31.700 0.006 0.000 0.778 57 K N 0.954 121.365 120.400 0.019 0.000 2.484 57 K HA 0.040 4.354 4.320 -0.009 0.000 0.280 57 K C -0.258 176.358 176.600 0.027 0.000 1.013 57 K CA 0.530 56.830 56.287 0.022 0.000 1.029 57 K CB -0.268 32.246 32.500 0.024 0.000 0.902 57 K HN -0.093 nan 8.250 nan 0.000 0.481 58 I N 4.788 125.374 120.570 0.025 0.000 2.339 58 I HA 0.253 4.417 4.170 -0.009 0.000 0.290 58 I C 0.158 176.290 176.117 0.026 0.000 0.994 58 I CA -0.330 60.986 61.300 0.026 0.000 1.191 58 I CB 1.135 39.149 38.000 0.023 0.000 1.343 58 I HN 0.751 nan 8.210 nan 0.000 0.458 59 E N 3.649 123.865 120.200 0.025 0.000 2.249 59 E HA 0.536 4.881 4.350 -0.009 0.000 0.263 59 E C -0.236 176.390 176.600 0.044 0.000 0.950 59 E CA -0.742 55.679 56.400 0.036 0.000 0.827 59 E CB 2.234 31.961 29.700 0.044 0.000 1.220 59 E HN 0.618 nan 8.360 nan 0.000 0.411 60 T N -2.117 112.475 114.554 0.063 0.000 2.944 60 T HA 0.113 4.458 4.350 -0.009 0.000 0.284 60 T C 0.930 175.707 174.700 0.129 0.000 1.010 60 T CA -0.688 61.466 62.100 0.089 0.000 1.025 60 T CB 1.721 70.628 68.868 0.065 0.000 1.079 60 T HN 0.505 nan 8.240 nan 0.000 0.516 61 Q N -0.097 119.809 119.800 0.177 0.000 2.226 61 Q HA -0.175 4.159 4.340 -0.009 0.000 0.204 61 Q C 1.124 177.163 176.000 0.064 0.000 0.975 61 Q CA 1.727 57.612 55.803 0.136 0.000 0.866 61 Q CB -0.158 28.549 28.738 -0.053 0.000 0.915 61 Q HN 0.731 nan 8.270 nan 0.000 0.440 62 D N 0.270 120.703 120.400 0.055 0.000 2.097 62 D HA -0.165 4.470 4.640 -0.009 0.000 0.195 62 D C 1.735 178.081 176.300 0.077 0.000 0.989 62 D CA 1.135 55.167 54.000 0.054 0.000 0.827 62 D CB -0.173 40.650 40.800 0.039 0.000 0.966 62 D HN 0.321 nan 8.370 nan 0.000 0.456 63 I N 0.591 121.206 120.570 0.075 0.000 2.226 63 I HA -0.290 3.874 4.170 -0.009 0.000 0.245 63 I C 2.401 178.577 176.117 0.098 0.000 1.100 63 I CA 1.107 62.454 61.300 0.078 0.000 1.374 63 I CB -0.238 37.801 38.000 0.065 0.000 1.057 63 I HN 0.017 nan 8.210 nan 0.000 0.413 64 Q N 0.541 120.401 119.800 0.101 0.000 2.084 64 Q HA -0.206 4.128 4.340 -0.009 0.000 0.202 64 Q C 2.480 178.556 176.000 0.127 0.000 0.978 64 Q CA 1.831 57.699 55.803 0.108 0.000 0.844 64 Q CB -0.315 28.488 28.738 0.109 0.000 0.898 64 Q HN 0.594 nan 8.270 nan 0.000 0.426 65 A N 0.815 123.709 122.820 0.124 0.000 1.933 65 A HA -0.166 4.148 4.320 -0.009 0.000 0.218 65 A C 2.022 179.800 177.584 0.325 0.000 1.175 65 A CA 0.944 53.091 52.037 0.183 0.000 0.628 65 A CB -0.658 18.455 19.000 0.189 0.000 0.814 65 A HN 0.360 nan 8.150 nan 0.000 0.444 66 L N -0.887 120.483 121.223 0.246 0.000 2.046 66 L HA -0.194 4.140 4.340 -0.009 0.000 0.208 66 L C 2.837 179.818 176.870 0.185 0.000 1.077 66 L CA 1.862 56.838 54.840 0.226 0.000 0.747 66 L CB -0.367 41.770 42.059 0.130 0.000 0.896 66 L HN 0.552 nan 8.230 nan 0.000 0.432 67 R N -0.481 120.113 120.500 0.155 0.000 2.083 67 R HA -0.280 4.054 4.340 -0.009 0.000 0.237 67 R C 2.376 178.769 176.300 0.154 0.000 1.137 67 R CA 2.205 58.384 56.100 0.133 0.000 0.951 67 R CB -0.589 29.789 30.300 0.130 0.000 0.851 67 R HN 0.304 nan 8.270 nan 0.000 0.434 68 F N 1.052 121.027 119.950 0.042 0.000 2.069 68 F HA -0.209 4.312 4.527 -0.010 0.000 0.298 68 F C 1.852 177.654 175.800 0.003 0.000 1.113 68 F CA 2.265 60.269 58.000 0.006 0.000 1.214 68 F CB -0.590 38.274 39.000 -0.227 0.000 0.978 68 F HN 0.156 nan 8.300 nan 0.000 0.474 69 H N -0.878 118.125 119.070 -0.111 0.000 2.421 69 H HA -0.081 4.469 4.556 -0.009 0.000 0.298 69 H C 2.243 177.467 175.328 -0.172 0.000 1.087 69 H CA 1.528 57.446 56.048 -0.216 0.000 1.330 69 H CB -0.176 29.593 29.762 0.012 0.000 1.388 69 H HN 0.062 nan 8.280 nan 0.000 0.526 70 R N 0.636 121.148 120.500 0.021 0.000 2.073 70 R HA -0.081 4.254 4.340 -0.009 0.000 0.234 70 R C 1.850 178.110 176.300 -0.068 0.000 1.134 70 R CA 1.317 57.415 56.100 -0.003 0.000 0.952 70 R CB -0.191 30.123 30.300 0.023 0.000 0.850 70 R HN 0.367 nan 8.270 nan 0.000 0.433 71 N N -0.045 118.591 118.700 -0.106 0.000 2.171 71 N HA -0.135 4.600 4.740 -0.009 0.000 0.184 71 N C 1.611 176.978 175.510 -0.238 0.000 1.021 71 N CA 0.853 53.797 53.050 -0.175 0.000 0.854 71 N CB -0.299 38.065 38.487 -0.206 0.000 0.994 71 N HN 0.105 nan 8.380 nan 0.000 0.426 72 L N 2.104 123.154 121.223 -0.287 0.000 2.042 72 L HA -0.130 4.205 4.340 -0.009 0.000 0.210 72 L C 2.217 179.007 176.870 -0.133 0.000 1.076 72 L CA 1.721 56.413 54.840 -0.246 0.000 0.749 72 L CB -0.466 41.313 42.059 -0.468 0.000 0.893 72 L HN 0.046 nan 8.230 nan 0.000 0.432 73 K N -0.528 119.807 120.400 -0.108 0.000 2.211 73 K HA -0.222 4.092 4.320 -0.009 0.000 0.204 73 K C 1.787 178.357 176.600 -0.051 0.000 1.047 73 K CA 1.604 57.860 56.287 -0.052 0.000 0.935 73 K CB 0.005 32.488 32.500 -0.029 0.000 0.728 73 K HN 0.283 nan 8.250 nan 0.000 0.452 74 K N -0.253 120.102 120.400 -0.076 0.000 2.426 74 K HA 0.122 4.437 4.320 -0.009 0.000 0.193 74 K C 0.243 176.800 176.600 -0.071 0.000 1.028 74 K CA 0.121 56.367 56.287 -0.069 0.000 1.047 74 K CB 0.239 32.692 32.500 -0.080 0.000 0.821 74 K HN 0.133 nan 8.250 nan 0.000 0.513 75 M N -0.047 119.506 119.600 -0.078 0.000 2.291 75 M HA 0.061 4.536 4.480 -0.009 0.000 0.324 75 M C 1.270 177.556 176.300 -0.025 0.000 1.148 75 M CA -0.007 55.257 55.300 -0.061 0.000 1.104 75 M CB 1.440 34.000 32.600 -0.066 0.000 1.483 75 M HN 0.089 nan 8.290 nan 0.000 0.467 76 T N -3.085 111.461 114.554 -0.014 0.000 3.087 76 T HA 0.103 4.448 4.350 -0.009 0.000 0.237 76 T C 0.894 175.602 174.700 0.014 0.000 0.990 76 T CA 0.153 62.252 62.100 -0.000 0.000 1.160 76 T CB -0.128 68.738 68.868 -0.003 0.000 0.923 76 T HN 0.703 nan 8.240 nan 0.000 0.442 77 S N 2.392 118.103 115.700 0.018 0.000 2.586 77 S HA 0.434 4.899 4.470 -0.009 0.000 0.274 77 S C -2.051 172.579 174.600 0.050 0.000 1.281 77 S CA -1.220 56.997 58.200 0.028 0.000 1.035 77 S CB 1.506 64.719 63.200 0.022 0.000 0.962 77 S HN -0.031 nan 8.310 nan 0.000 0.512 78 P HA -0.089 nan 4.420 nan 0.000 0.215 78 P C 1.589 178.959 177.300 0.116 0.000 1.153 78 P CA 0.460 63.607 63.100 0.079 0.000 0.853 78 P CB 0.013 31.745 31.700 0.053 0.000 0.788 79 L N 0.247 121.517 121.223 0.078 0.000 2.083 79 L HA -0.153 4.182 4.340 -0.009 0.000 0.209 79 L C 2.253 179.217 176.870 0.157 0.000 1.083 79 L CA 1.882 56.777 54.840 0.092 0.000 0.752 79 L CB -1.298 40.771 42.059 0.017 0.000 0.899 79 L HN -0.030 nan 8.230 nan 0.000 0.433 80 E N -0.526 119.738 120.200 0.108 0.000 2.077 80 E HA -0.267 4.077 4.350 -0.009 0.000 0.193 80 E C 2.077 178.771 176.600 0.156 0.000 0.989 80 E CA 1.358 57.817 56.400 0.099 0.000 0.800 80 E CB -0.008 29.718 29.700 0.044 0.000 0.746 80 E HN 0.535 nan 8.360 nan 0.000 0.452 81 K N -0.377 120.126 120.400 0.171 0.000 2.057 81 K HA -0.184 4.130 4.320 -0.009 0.000 0.206 81 K C 2.154 178.914 176.600 0.267 0.000 1.050 81 K CA 1.424 57.847 56.287 0.227 0.000 0.935 81 K CB -0.400 32.209 32.500 0.182 0.000 0.715 81 K HN 0.231 nan 8.250 nan 0.000 0.439 82 Y N 1.852 122.230 120.300 0.130 0.000 2.128 82 Y HA -0.249 4.296 4.550 -0.009 0.000 0.284 82 Y C 1.887 177.853 175.900 0.110 0.000 1.154 82 Y CA 1.524 59.694 58.100 0.117 0.000 1.149 82 Y CB -0.195 38.319 38.460 0.089 0.000 0.976 82 Y HN -0.068 nan 8.280 nan 0.000 0.505 83 I N -0.867 119.855 120.570 0.253 0.000 2.226 83 I HA -0.330 3.834 4.170 -0.009 0.000 0.245 83 I C 2.182 178.351 176.117 0.088 0.000 1.100 83 I CA 1.640 63.016 61.300 0.127 0.000 1.374 83 I CB -0.594 37.496 38.000 0.149 0.000 1.057 83 I HN 0.330 nan 8.210 nan 0.000 0.413 84 Y N 2.240 122.552 120.300 0.019 0.000 2.109 84 Y HA -0.233 4.311 4.550 -0.010 0.000 0.285 84 Y C 2.388 178.326 175.900 0.063 0.000 1.131 84 Y CA 1.837 59.963 58.100 0.044 0.000 1.121 84 Y CB -0.598 37.910 38.460 0.079 0.000 0.987 84 Y HN 0.208 nan 8.280 nan 0.000 0.495 85 I N -2.147 118.408 120.570 -0.024 0.000 2.226 85 I HA -0.236 3.929 4.170 -0.009 0.000 0.245 85 I C 2.117 178.169 176.117 -0.109 0.000 1.100 85 I CA 1.951 63.173 61.300 -0.130 0.000 1.374 85 I CB -0.649 37.347 38.000 -0.006 0.000 1.057 85 I HN 0.220 nan 8.210 nan 0.000 0.413 86 M N 2.209 121.672 119.600 -0.228 0.000 2.296 86 M HA 0.039 4.514 4.480 -0.009 0.000 0.265 86 M C 2.075 178.144 176.300 -0.386 0.000 1.064 86 M CA 1.542 56.611 55.300 -0.384 0.000 1.109 86 M CB -1.128 31.107 32.600 -0.609 0.000 1.396 86 M HN 0.430 nan 8.290 nan 0.000 0.430 87 G N -0.661 107.987 108.800 -0.254 0.000 2.443 87 G HA2 -0.122 3.832 3.960 -0.009 0.000 0.219 87 G HA3 -0.122 3.832 3.960 -0.009 0.000 0.219 87 G C 1.527 176.289 174.900 -0.230 0.000 1.131 87 G CA 0.521 45.499 45.100 -0.203 0.000 0.775 87 G HN 0.503 nan 8.290 nan 0.000 0.547 88 I N 0.257 120.672 120.570 -0.257 0.000 2.546 88 I HA -0.150 4.014 4.170 -0.009 0.000 0.255 88 I C 2.720 178.644 176.117 -0.322 0.000 1.163 88 I CA 0.919 62.083 61.300 -0.227 0.000 1.457 88 I CB -0.131 37.737 38.000 -0.220 0.000 1.092 88 I HN 0.260 nan 8.210 nan 0.000 0.434 89 Q N 1.065 120.440 119.800 -0.709 0.000 2.226 89 Q HA -0.200 4.135 4.340 -0.009 0.000 0.204 89 Q C 1.410 177.124 176.000 -0.475 0.000 0.975 89 Q CA 1.223 56.407 55.803 -1.031 0.000 0.866 89 Q CB 0.249 27.948 28.738 -1.731 0.000 0.915 89 Q HN 0.399 nan 8.270 nan 0.000 0.440 90 E N -0.382 119.608 120.200 -0.350 0.000 2.479 90 E HA 0.049 4.393 4.350 -0.009 0.000 0.193 90 E C 1.107 177.624 176.600 -0.139 0.000 1.049 90 E CA 0.164 56.435 56.400 -0.214 0.000 0.870 90 E CB 0.412 29.993 29.700 -0.198 0.000 0.944 90 E HN 0.348 nan 8.360 nan 0.000 0.492 91 R N -0.049 120.373 120.500 -0.130 0.000 2.144 91 R HA 0.153 4.487 4.340 -0.009 0.000 0.195 91 R C 0.500 176.782 176.300 -0.030 0.000 1.077 91 R CA 0.139 56.200 56.100 -0.065 0.000 1.120 91 R CB 0.430 30.698 30.300 -0.052 0.000 1.060 91 R HN -0.111 nan 8.270 nan 0.000 0.520 92 N N 1.134 119.816 118.700 -0.030 0.000 2.640 92 N HA 0.007 4.742 4.740 -0.009 0.000 0.262 92 N C -0.189 175.356 175.510 0.058 0.000 1.174 92 N CA 0.043 53.112 53.050 0.032 0.000 0.791 92 N CB 1.574 40.093 38.487 0.053 0.000 1.279 92 N HN 0.103 nan 8.380 nan 0.000 0.535 93 E N 2.366 122.619 120.200 0.088 0.000 2.058 93 E HA -0.186 4.159 4.350 -0.009 0.000 0.194 93 E C 0.916 177.720 176.600 0.340 0.000 0.997 93 E CA 1.218 57.721 56.400 0.172 0.000 0.801 93 E CB 0.326 30.142 29.700 0.193 0.000 0.746 93 E HN 0.363 nan 8.360 nan 0.000 0.450 94 K N 0.413 121.009 120.400 0.326 0.000 2.032 94 K HA -0.191 4.124 4.320 -0.009 0.000 0.209 94 K C 2.248 178.879 176.600 0.051 0.000 1.048 94 K CA 0.873 57.311 56.287 0.251 0.000 0.927 94 K CB -0.610 31.920 32.500 0.051 0.000 0.712 94 K HN 0.223 nan 8.250 nan 0.000 0.441 95 L N 0.725 121.955 121.223 0.013 0.000 2.093 95 L HA -0.115 4.220 4.340 -0.009 0.000 0.208 95 L C 2.200 178.986 176.870 -0.140 0.000 1.085 95 L CA 1.338 56.130 54.840 -0.080 0.000 0.755 95 L CB -0.719 41.325 42.059 -0.024 0.000 0.904 95 L HN 0.072 nan 8.230 nan 0.000 0.435 96 F N -0.364 119.424 119.950 -0.269 0.000 2.065 96 F HA -0.314 4.207 4.527 -0.009 0.000 0.298 96 F C 2.114 177.644 175.800 -0.449 0.000 1.112 96 F CA 2.016 59.743 58.000 -0.455 0.000 1.212 96 F CB -0.799 37.884 39.000 -0.529 0.000 0.975 96 F HN 0.169 nan 8.300 nan 0.000 0.476 97 Y N -0.331 119.874 120.300 -0.160 0.000 2.314 97 Y HA -0.154 4.390 4.550 -0.010 0.000 0.293 97 Y C 2.580 178.363 175.900 -0.194 0.000 1.129 97 Y CA 1.168 59.146 58.100 -0.204 0.000 1.201 97 Y CB -0.485 38.086 38.460 0.184 0.000 0.999 97 Y HN 0.019 nan 8.280 nan 0.000 0.541 98 R N 1.218 121.683 120.500 -0.058 0.000 2.073 98 R HA -0.155 4.179 4.340 -0.009 0.000 0.234 98 R C 1.812 178.025 176.300 -0.144 0.000 1.134 98 R CA 1.727 57.762 56.100 -0.109 0.000 0.952 98 R CB -1.075 29.132 30.300 -0.156 0.000 0.850 98 R HN 0.404 nan 8.270 nan 0.000 0.433 99 I N 0.078 120.474 120.570 -0.290 0.000 2.163 99 I HA -0.276 3.889 4.170 -0.009 0.000 0.243 99 I C 1.790 177.748 176.117 -0.264 0.000 1.085 99 I CA 0.959 62.025 61.300 -0.389 0.000 1.347 99 I CB -0.245 37.187 38.000 -0.947 0.000 1.044 99 I HN 0.168 nan 8.210 nan 0.000 0.408 100 L N 0.160 121.156 121.223 -0.379 0.000 2.046 100 L HA -0.239 4.096 4.340 -0.009 0.000 0.208 100 L C 2.534 179.336 176.870 -0.114 0.000 1.077 100 L CA 1.747 56.419 54.840 -0.280 0.000 0.747 100 L CB -0.916 40.894 42.059 -0.415 0.000 0.896 100 L HN 0.294 nan 8.230 nan 0.000 0.432 101 Q N -0.802 118.950 119.800 -0.080 0.000 2.167 101 Q HA -0.209 4.125 4.340 -0.009 0.000 0.202 101 Q C 1.543 177.533 176.000 -0.017 0.000 0.970 101 Q CA 1.369 57.151 55.803 -0.035 0.000 0.855 101 Q CB 0.093 28.817 28.738 -0.024 0.000 0.911 101 Q HN 0.475 nan 8.270 nan 0.000 0.438 102 D N 0.678 121.082 120.400 0.008 0.000 2.123 102 D HA -0.118 4.517 4.640 -0.009 0.000 0.196 102 D C 0.264 176.582 176.300 0.029 0.000 0.992 102 D CA 1.275 55.298 54.000 0.038 0.000 0.833 102 D CB 0.093 40.976 40.800 0.139 0.000 0.954 102 D HN 0.178 nan 8.370 nan 0.000 0.455 103 D N -0.815 119.619 120.400 0.057 0.000 2.823 103 D HA 0.031 4.666 4.640 -0.009 0.000 0.255 103 D C 0.794 177.114 176.300 0.033 0.000 1.257 103 D CA -0.392 53.635 54.000 0.045 0.000 0.803 103 D CB 0.046 40.889 40.800 0.071 0.000 1.384 103 D HN -0.151 nan 8.370 nan 0.000 0.541 104 I N 1.722 122.290 120.570 -0.002 0.000 2.286 104 I HA -0.130 4.034 4.170 -0.009 0.000 0.248 104 I C 1.962 178.070 176.117 -0.015 0.000 1.115 104 I CA 1.715 62.999 61.300 -0.026 0.000 1.392 104 I CB 0.019 37.986 38.000 -0.055 0.000 1.065 104 I HN 0.420 nan 8.210 nan 0.000 0.418 105 E N -0.132 120.066 120.200 -0.003 0.000 2.077 105 E HA -0.233 4.111 4.350 -0.009 0.000 0.193 105 E C 2.195 178.814 176.600 0.032 0.000 0.989 105 E CA 1.648 58.053 56.400 0.009 0.000 0.800 105 E CB -0.204 29.507 29.700 0.020 0.000 0.746 105 E HN 0.642 nan 8.360 nan 0.000 0.452 106 S N -0.261 115.466 115.700 0.045 0.000 2.470 106 S HA 0.017 4.481 4.470 -0.009 0.000 0.225 106 S C 1.895 176.541 174.600 0.076 0.000 1.006 106 S CA 0.305 58.542 58.200 0.061 0.000 0.934 106 S CB -0.080 63.161 63.200 0.068 0.000 0.778 106 S HN 0.306 nan 8.310 nan 0.000 0.517 107 L N -0.235 121.031 121.223 0.073 0.000 2.416 107 L HA 0.265 4.599 4.340 -0.009 0.000 0.216 107 L C 2.530 179.447 176.870 0.079 0.000 1.098 107 L CA 0.476 55.366 54.840 0.083 0.000 0.840 107 L CB -0.455 41.641 42.059 0.062 0.000 0.981 107 L HN 0.317 nan 8.230 nan 0.000 0.462 108 M N 1.517 121.151 119.600 0.056 0.000 2.108 108 M HA -0.149 4.325 4.480 -0.009 0.000 0.257 108 M C -0.835 175.555 176.300 0.149 0.000 1.071 108 M CA 2.349 57.696 55.300 0.079 0.000 1.093 108 M CB -1.132 31.486 32.600 0.030 0.000 1.345 108 M HN -0.074 nan 8.290 nan 0.000 0.403 109 P HA -0.087 nan 4.420 nan 0.000 0.226 109 P C 1.263 178.629 177.300 0.111 0.000 1.153 109 P CA 1.021 64.174 63.100 0.089 0.000 0.777 109 P CB -0.148 31.583 31.700 0.052 0.000 0.794 110 I N -1.610 119.048 120.570 0.147 0.000 2.512 110 I HA -0.033 4.132 4.170 -0.009 0.000 0.247 110 I C 2.149 178.451 176.117 0.309 0.000 1.094 110 I CA 1.077 62.496 61.300 0.198 0.000 1.427 110 I CB -1.280 36.834 38.000 0.189 0.000 1.149 110 I HN -0.139 nan 8.210 nan 0.000 0.438 111 V N -0.375 119.702 119.914 0.272 0.000 3.129 111 V HA -0.104 4.010 4.120 -0.009 0.000 0.259 111 V C 1.029 177.361 176.094 0.397 0.000 1.116 111 V CA 0.945 63.439 62.300 0.323 0.000 1.127 111 V CB -0.089 31.840 31.823 0.175 0.000 0.742 111 V HN 0.315 nan 8.190 nan 0.000 0.474 112 Y N -0.086 120.300 120.300 0.145 0.000 3.072 112 Y HA 0.484 5.029 4.550 -0.009 0.000 0.314 112 Y C 0.787 176.722 175.900 0.058 0.000 1.446 112 Y CA -0.602 57.560 58.100 0.103 0.000 1.055 112 Y CB 1.027 39.533 38.460 0.076 0.000 1.365 112 Y HN -0.098 nan 8.280 nan 0.000 0.657 113 T N 4.117 118.433 114.554 -0.395 0.000 2.930 113 T HA 0.168 4.512 4.350 -0.009 0.000 0.306 113 T C -1.853 172.776 174.700 -0.119 0.000 1.045 113 T CA -1.182 60.728 62.100 -0.317 0.000 1.134 113 T CB 0.591 69.179 68.868 -0.467 0.000 0.961 113 T HN 0.494 nan 8.240 nan 0.000 0.545 114 P HA 0.082 nan 4.420 nan 0.000 0.234 114 P C 1.366 178.609 177.300 -0.094 0.000 1.175 114 P CA 0.425 63.453 63.100 -0.121 0.000 0.801 114 P CB 0.097 31.729 31.700 -0.113 0.000 0.891 115 T N 0.755 115.280 114.554 -0.049 0.000 2.737 115 T HA -0.129 4.215 4.350 -0.009 0.000 0.269 115 T C 1.862 176.473 174.700 -0.148 0.000 1.040 115 T CA 1.310 63.375 62.100 -0.058 0.000 1.142 115 T CB -1.138 67.749 68.868 0.032 0.000 0.861 115 T HN -0.080 nan 8.240 nan 0.000 0.456 116 V N 1.401 121.262 119.914 -0.088 0.000 2.688 116 V HA -0.077 4.037 4.120 -0.009 0.000 0.256 116 V C 2.431 178.426 176.094 -0.165 0.000 1.084 116 V CA 2.092 64.319 62.300 -0.122 0.000 1.103 116 V CB -0.997 30.850 31.823 0.041 0.000 0.688 116 V HN 0.595 nan 8.190 nan 0.000 0.480 117 G N -0.382 108.330 108.800 -0.146 0.000 2.394 117 G HA2 -0.222 3.733 3.960 -0.009 0.000 0.215 117 G HA3 -0.222 3.733 3.960 -0.009 0.000 0.215 117 G C 1.461 176.289 174.900 -0.120 0.000 1.165 117 G CA 0.986 46.010 45.100 -0.126 0.000 0.784 117 G HN 0.504 nan 8.290 nan 0.000 0.535 118 L N 1.437 122.579 121.223 -0.136 0.000 2.056 118 L HA 0.212 4.546 4.340 -0.009 0.000 0.207 118 L C 3.033 179.802 176.870 -0.168 0.000 1.078 118 L CA 2.046 56.809 54.840 -0.128 0.000 0.749 118 L CB -0.775 41.215 42.059 -0.117 0.000 0.901 118 L HN 0.226 nan 8.230 nan 0.000 0.433 119 A N -1.212 121.432 122.820 -0.293 0.000 1.883 119 A HA -0.304 4.010 4.320 -0.009 0.000 0.217 119 A C 2.531 180.069 177.584 -0.076 0.000 1.186 119 A CA 1.918 53.739 52.037 -0.359 0.000 0.624 119 A CB -1.651 16.769 19.000 -0.967 0.000 0.822 119 A HN 0.656 nan 8.150 nan 0.000 0.444 120 C N 0.260 119.500 119.300 -0.100 0.000 2.413 120 C HA -0.119 4.335 4.460 -0.009 0.000 0.276 120 C C 3.406 178.402 174.990 0.010 0.000 1.236 120 C CA 1.933 60.902 59.018 -0.083 0.000 1.735 120 C CB -1.275 26.392 27.740 -0.121 0.000 2.031 120 C HN 0.786 nan 8.230 nan 0.000 0.474 121 S N -0.624 115.078 115.700 0.003 0.000 2.440 121 S HA -0.207 4.258 4.470 -0.009 0.000 0.238 121 S C 1.351 175.971 174.600 0.033 0.000 1.010 121 S CA 1.535 59.776 58.200 0.067 0.000 0.972 121 S CB -0.520 62.684 63.200 0.006 0.000 0.774 121 S HN 0.867 nan 8.310 nan 0.000 0.501 122 Q N -1.269 118.469 119.800 -0.103 0.000 2.135 122 Q HA 0.330 4.665 4.340 -0.009 0.000 0.231 122 Q C 0.206 176.086 176.000 -0.199 0.000 0.817 122 Q CA -0.402 55.279 55.803 -0.203 0.000 1.073 122 Q CB 0.160 28.765 28.738 -0.220 0.000 1.176 122 Q HN 0.500 nan 8.270 nan 0.000 0.478 123 Y N 0.863 120.814 120.300 -0.581 0.000 2.102 123 Y HA -0.250 4.294 4.550 -0.009 0.000 0.280 123 Y C 2.182 177.862 175.900 -0.367 0.000 1.178 123 Y CA 2.308 60.130 58.100 -0.465 0.000 1.146 123 Y CB -0.303 37.900 38.460 -0.428 0.000 0.968 123 Y HN 0.295 nan 8.280 nan 0.000 0.504 124 G N -2.467 105.953 108.800 -0.635 0.000 2.471 124 G HA2 -0.233 3.722 3.960 -0.009 0.000 0.219 124 G HA3 -0.233 3.722 3.960 -0.009 0.000 0.219 124 G C 1.055 175.930 174.900 -0.042 0.000 1.125 124 G CA 1.032 46.115 45.100 -0.029 0.000 0.775 124 G HN 0.488 nan 8.290 nan 0.000 0.548 125 H N 0.066 119.039 119.070 -0.162 0.000 2.465 125 H HA 0.143 4.693 4.556 -0.009 0.000 0.289 125 H C 2.380 177.590 175.328 -0.198 0.000 1.022 125 H CA 0.902 56.806 56.048 -0.239 0.000 1.340 125 H CB -0.037 29.648 29.762 -0.127 0.000 1.437 125 H HN 0.536 nan 8.280 nan 0.000 0.539 126 I N -2.741 117.818 120.570 -0.018 0.000 3.883 126 I HA 0.146 4.310 4.170 -0.009 0.000 0.326 126 I C 0.151 176.212 176.117 -0.094 0.000 1.283 126 I CA -0.373 60.898 61.300 -0.048 0.000 1.161 126 I CB -0.248 37.741 38.000 -0.019 0.000 1.012 126 I HN -0.118 nan 8.210 nan 0.000 0.421 127 F N 3.347 123.150 119.950 -0.245 0.000 2.629 127 F HA 0.098 4.619 4.527 -0.009 0.000 0.377 127 F C 1.132 176.832 175.800 -0.167 0.000 1.101 127 F CA 0.693 58.541 58.000 -0.255 0.000 1.301 127 F CB 0.476 39.343 39.000 -0.220 0.000 1.062 127 F HN 0.045 nan 8.300 nan 0.000 0.583 128 R N 3.442 123.271 120.500 -1.118 0.000 3.749 128 R HA 0.302 4.637 4.340 -0.009 0.000 0.142 128 R C -0.250 175.417 176.300 -1.056 0.000 0.750 128 R CA -0.527 55.106 56.100 -0.777 0.000 1.004 128 R CB 0.491 30.551 30.300 -0.400 0.000 1.509 128 R HN 0.469 nan 8.270 nan 0.000 0.494 129 R N 1.815 121.735 120.500 -0.967 0.000 2.686 129 R HA 0.408 4.742 4.340 -0.009 0.000 0.286 129 R C -2.610 173.444 176.300 -0.411 0.000 0.969 129 R CA -1.835 53.918 56.100 -0.578 0.000 0.898 129 R CB 2.228 32.364 30.300 -0.274 0.000 1.183 129 R HN 0.051 nan 8.270 nan 0.000 0.456 130 P HA 0.186 nan 4.420 nan 0.000 0.274 130 P C -1.283 176.171 177.300 0.257 0.000 1.231 130 P CA -0.322 63.004 63.100 0.377 0.000 0.790 130 P CB 1.086 33.068 31.700 0.470 0.000 0.951 131 K N 0.980 121.575 120.400 0.325 0.000 2.443 131 K HA 0.619 4.934 4.320 -0.009 0.000 0.252 131 K C -0.058 176.620 176.600 0.130 0.000 0.933 131 K CA -0.483 55.922 56.287 0.197 0.000 0.792 131 K CB 2.009 34.578 32.500 0.115 0.000 1.185 131 K HN 0.904 nan 8.250 nan 0.000 0.425 132 G N 1.542 110.431 108.800 0.149 0.000 2.728 132 G HA2 -0.213 3.742 3.960 -0.009 0.000 0.294 132 G HA3 -0.213 3.742 3.960 -0.009 0.000 0.294 132 G C -1.420 173.372 174.900 -0.180 0.000 1.342 132 G CA -0.900 44.109 45.100 -0.153 0.000 0.866 132 G HN 0.522 nan 8.290 nan 0.000 0.534 133 L N -0.328 120.608 121.223 -0.477 0.000 2.307 133 L HA 0.810 5.144 4.340 -0.009 0.000 0.284 133 L C -0.686 175.959 176.870 -0.374 0.000 1.023 133 L CA -1.061 53.621 54.840 -0.263 0.000 0.810 133 L CB 0.793 42.644 42.059 -0.346 0.000 1.231 133 L HN 0.458 nan 8.230 nan 0.000 0.423 134 F N 5.561 125.502 119.950 -0.016 0.000 2.444 134 F HA 0.511 5.032 4.527 -0.010 0.000 0.342 134 F C 0.010 175.786 175.800 -0.040 0.000 1.121 134 F CA -0.460 57.514 58.000 -0.044 0.000 0.997 134 F CB 1.455 40.440 39.000 -0.024 0.000 1.130 134 F HN 0.191 nan 8.300 nan 0.000 0.454 135 I N 3.054 123.668 120.570 0.075 0.000 2.410 135 I HA 0.321 4.486 4.170 -0.009 0.000 0.286 135 I C -0.294 175.839 176.117 0.027 0.000 1.009 135 I CA -0.474 60.850 61.300 0.041 0.000 1.111 135 I CB 1.720 39.711 38.000 -0.015 0.000 1.262 135 I HN 0.623 nan 8.210 nan 0.000 0.443 136 S N 5.121 120.849 115.700 0.047 0.000 2.638 136 S HA 0.409 4.873 4.470 -0.009 0.000 0.298 136 S C 0.818 175.448 174.600 0.050 0.000 1.111 136 S CA -0.668 57.554 58.200 0.038 0.000 1.027 136 S CB 1.951 65.165 63.200 0.024 0.000 1.064 136 S HN 0.603 nan 8.310 nan 0.000 0.525 137 I N 2.177 122.783 120.570 0.060 0.000 2.423 137 I HA -0.106 4.058 4.170 -0.009 0.000 0.254 137 I C 2.030 178.192 176.117 0.074 0.000 1.151 137 I CA 1.586 62.932 61.300 0.077 0.000 1.421 137 I CB -0.516 37.543 38.000 0.098 0.000 1.079 137 I HN 0.752 nan 8.210 nan 0.000 0.431 138 S N 0.163 115.900 115.700 0.062 0.000 2.555 138 S HA -0.064 4.401 4.470 -0.009 0.000 0.230 138 S C 1.205 175.853 174.600 0.080 0.000 0.978 138 S CA 0.912 59.149 58.200 0.061 0.000 0.934 138 S CB -0.366 62.858 63.200 0.039 0.000 0.766 138 S HN 0.539 nan 8.310 nan 0.000 0.533 139 D N 1.540 121.993 120.400 0.090 0.000 2.363 139 D HA 0.024 4.659 4.640 -0.009 0.000 0.214 139 D C 0.500 176.901 176.300 0.169 0.000 1.093 139 D CA -0.061 54.017 54.000 0.130 0.000 0.837 139 D CB 0.139 40.999 40.800 0.101 0.000 0.948 139 D HN 0.540 nan 8.370 nan 0.000 0.507 140 R N 0.232 120.805 120.500 0.123 0.000 2.523 140 R HA 0.183 4.517 4.340 -0.009 0.000 0.281 140 R C 0.984 177.307 176.300 0.038 0.000 0.969 140 R CA 0.939 57.087 56.100 0.079 0.000 1.093 140 R CB -0.127 30.214 30.300 0.069 0.000 0.917 140 R HN 0.009 nan 8.270 nan 0.000 0.408 141 G N 1.946 110.713 108.800 -0.054 0.000 2.199 141 G HA2 -0.260 3.694 3.960 -0.009 0.000 0.254 141 G HA3 -0.260 3.694 3.960 -0.009 0.000 0.254 141 G C 0.288 174.906 174.900 -0.471 0.000 0.982 141 G CA 0.276 45.231 45.100 -0.242 0.000 0.632 141 G HN 0.827 nan 8.290 nan 0.000 0.529 142 H N -0.673 118.412 119.070 0.026 0.000 2.750 142 H HA 0.351 4.901 4.556 -0.009 0.000 0.252 142 H C 1.966 177.311 175.328 0.029 0.000 1.176 142 H CA 0.447 56.510 56.048 0.025 0.000 0.987 142 H CB 0.469 30.247 29.762 0.026 0.000 1.810 142 H HN 0.244 nan 8.280 nan 0.000 0.630 143 V N 0.884 120.852 119.914 0.090 0.000 2.343 143 V HA -0.264 3.850 4.120 -0.009 0.000 0.247 143 V C 2.776 178.908 176.094 0.063 0.000 1.051 143 V CA 1.906 64.255 62.300 0.081 0.000 1.036 143 V CB -0.252 31.609 31.823 0.064 0.000 0.654 143 V HN 0.209 nan 8.190 nan 0.000 0.451 144 R N 1.738 122.258 120.500 0.033 0.000 2.105 144 R HA -0.164 4.171 4.340 -0.009 0.000 0.239 144 R C 2.510 178.832 176.300 0.037 0.000 1.135 144 R CA 2.122 58.230 56.100 0.013 0.000 0.967 144 R CB -0.963 29.331 30.300 -0.010 0.000 0.861 144 R HN 0.693 nan 8.270 nan 0.000 0.442 145 S N -0.612 115.129 115.700 0.067 0.000 2.402 145 S HA -0.088 4.376 4.470 -0.009 0.000 0.229 145 S C 2.127 176.778 174.600 0.085 0.000 1.021 145 S CA 1.242 59.487 58.200 0.075 0.000 0.974 145 S CB -0.443 62.816 63.200 0.098 0.000 0.800 145 S HN 0.373 nan 8.310 nan 0.000 0.484 146 I N 1.110 121.739 120.570 0.098 0.000 2.286 146 I HA -0.085 4.079 4.170 -0.009 0.000 0.245 146 I C 2.401 178.600 176.117 0.136 0.000 1.104 146 I CA 0.823 62.193 61.300 0.116 0.000 1.397 146 I CB -0.303 37.767 38.000 0.116 0.000 1.072 146 I HN 0.210 nan 8.210 nan 0.000 0.417 147 V N 0.662 120.640 119.914 0.106 0.000 2.490 147 V HA -0.285 3.830 4.120 -0.009 0.000 0.250 147 V C 1.796 177.971 176.094 0.136 0.000 1.061 147 V CA 1.795 64.165 62.300 0.116 0.000 1.064 147 V CB -0.633 31.214 31.823 0.039 0.000 0.670 147 V HN 0.398 nan 8.190 nan 0.000 0.461 148 D N 0.015 120.463 120.400 0.080 0.000 2.350 148 D HA -0.085 4.549 4.640 -0.009 0.000 0.216 148 D C 1.814 178.180 176.300 0.110 0.000 0.968 148 D CA 0.596 54.634 54.000 0.063 0.000 0.894 148 D CB -0.237 40.581 40.800 0.029 0.000 0.909 148 D HN 0.388 nan 8.370 nan 0.000 0.520 149 N N -0.335 118.455 118.700 0.150 0.000 2.446 149 N HA -0.081 4.653 4.740 -0.009 0.000 0.179 149 N C 0.343 175.974 175.510 0.203 0.000 1.054 149 N CA -0.023 53.115 53.050 0.148 0.000 0.905 149 N CB 0.021 38.593 38.487 0.141 0.000 0.973 149 N HN 0.350 nan 8.380 nan 0.000 0.448 150 W N 2.981 124.330 121.300 0.081 0.000 2.322 150 W HA 0.030 4.685 4.660 -0.008 0.000 0.328 150 W C -1.628 174.949 176.519 0.098 0.000 1.395 150 W CA -1.167 56.236 57.345 0.097 0.000 1.267 150 W CB 0.885 30.431 29.460 0.143 0.000 1.259 150 W HN 0.095 nan 8.180 nan 0.000 0.560 151 P HA -0.154 nan 4.420 nan 0.000 0.220 151 P C -0.127 177.050 177.300 -0.205 0.000 1.148 151 P CA 1.567 64.460 63.100 -0.344 0.000 0.803 151 P CB 0.185 31.612 31.700 -0.455 0.000 0.782 152 E N 0.085 120.140 120.200 -0.241 0.000 2.259 152 E HA 0.112 4.456 4.350 -0.009 0.000 0.281 152 E C 0.600 177.399 176.600 0.331 0.000 1.027 152 E CA -0.115 56.330 56.400 0.074 0.000 0.838 152 E CB 0.380 30.160 29.700 0.134 0.000 1.066 152 E HN 0.185 nan 8.360 nan 0.000 0.401 153 N N 0.933 119.800 118.700 0.279 0.000 2.392 153 N HA -0.073 4.661 4.740 -0.009 0.000 0.177 153 N C 0.446 176.252 175.510 0.493 0.000 1.066 153 N CA 0.371 53.642 53.050 0.368 0.000 0.895 153 N CB 0.371 38.959 38.487 0.169 0.000 0.988 153 N HN 0.484 nan 8.380 nan 0.000 0.457 154 H N 0.714 119.909 119.070 0.210 0.000 2.490 154 H HA 0.258 4.808 4.556 -0.009 0.000 0.285 154 H C -0.367 174.939 175.328 -0.036 0.000 1.127 154 H CA -0.376 55.747 56.048 0.125 0.000 0.993 154 H CB 0.461 30.273 29.762 0.084 0.000 1.653 154 H HN -0.203 nan 8.280 nan 0.000 0.557 155 V N 2.195 121.941 119.914 -0.281 0.000 2.617 155 V HA -0.107 4.008 4.120 -0.009 0.000 0.304 155 V C 0.904 176.773 176.094 -0.375 0.000 1.040 155 V CA 0.798 62.760 62.300 -0.563 0.000 1.149 155 V CB 1.099 32.131 31.823 -1.318 0.000 0.914 155 V HN 0.539 nan 8.190 nan 0.000 0.487 156 K N 2.794 123.042 120.400 -0.252 0.000 2.474 156 K HA 0.451 4.766 4.320 -0.009 0.000 0.204 156 K C 0.214 176.765 176.600 -0.082 0.000 1.220 156 K CA 0.587 56.784 56.287 -0.151 0.000 0.966 156 K CB 1.360 33.779 32.500 -0.135 0.000 1.049 156 K HN 0.689 nan 8.250 nan 0.000 0.554 157 A N 0.947 123.705 122.820 -0.104 0.000 2.449 157 A HA 0.684 4.999 4.320 -0.009 0.000 0.302 157 A C -1.152 176.324 177.584 -0.180 0.000 1.048 157 A CA -0.547 51.466 52.037 -0.040 0.000 0.708 157 A CB 1.866 20.968 19.000 0.169 0.000 1.274 157 A HN -0.119 nan 8.150 nan 0.000 0.410 158 V N 1.826 121.644 119.914 -0.161 0.000 2.709 158 V HA 0.565 4.680 4.120 -0.009 0.000 0.308 158 V C -0.789 175.168 176.094 -0.229 0.000 1.062 158 V CA -0.512 61.648 62.300 -0.233 0.000 0.901 158 V CB 2.008 33.718 31.823 -0.189 0.000 1.003 158 V HN 0.737 nan 8.190 nan 0.000 0.425 159 V N 5.153 124.883 119.914 -0.307 0.000 2.407 159 V HA 0.587 4.701 4.120 -0.009 0.000 0.291 159 V C -0.429 175.487 176.094 -0.298 0.000 1.018 159 V CA -0.556 61.563 62.300 -0.301 0.000 0.842 159 V CB 1.850 33.460 31.823 -0.356 0.000 0.996 159 V HN 0.607 nan 8.190 nan 0.000 0.426 160 V N 4.749 124.482 119.914 -0.302 0.000 2.735 160 V HA 0.863 4.977 4.120 -0.009 0.000 0.310 160 V C -0.335 175.643 176.094 -0.192 0.000 1.061 160 V CA 0.150 62.242 62.300 -0.346 0.000 0.913 160 V CB 2.550 34.045 31.823 -0.546 0.000 1.005 160 V HN 0.958 nan 8.190 nan 0.000 0.428 161 T N 2.521 116.902 114.554 -0.288 0.000 2.883 161 T HA 0.471 4.815 4.350 -0.009 0.000 0.296 161 T C -0.512 173.789 174.700 -0.665 0.000 1.117 161 T CA 0.137 61.978 62.100 -0.432 0.000 1.006 161 T CB 1.760 70.437 68.868 -0.317 0.000 1.191 161 T HN 0.937 nan 8.240 nan 0.000 0.508 162 D N 0.214 120.010 120.400 -1.007 0.000 2.469 162 D HA 0.223 4.857 4.640 -0.009 0.000 0.215 162 D C 1.351 177.433 176.300 -0.363 0.000 1.154 162 D CA 0.596 54.228 54.000 -0.614 0.000 0.832 162 D CB -0.301 40.146 40.800 -0.589 0.000 1.008 162 D HN 1.059 nan 8.370 nan 0.000 0.506 163 G N 1.560 110.147 108.800 -0.355 0.000 2.180 163 G HA2 -0.433 3.522 3.960 -0.009 0.000 0.263 163 G HA3 -0.433 3.522 3.960 -0.009 0.000 0.263 163 G C 0.767 175.579 174.900 -0.146 0.000 0.989 163 G CA 0.844 45.824 45.100 -0.200 0.000 0.692 163 G HN 0.523 nan 8.290 nan 0.000 0.526 164 E N -0.432 119.667 120.200 -0.168 0.000 2.158 164 E HA 0.022 4.366 4.350 -0.009 0.000 0.191 164 E C 1.657 178.221 176.600 -0.059 0.000 0.982 164 E CA 0.434 56.777 56.400 -0.095 0.000 0.823 164 E CB 0.048 29.705 29.700 -0.072 0.000 0.766 164 E HN 0.337 nan 8.360 nan 0.000 0.468 165 R N 1.382 121.847 120.500 -0.058 0.000 2.629 165 R HA 0.190 4.524 4.340 -0.009 0.000 0.277 165 R C -1.105 175.169 176.300 -0.044 0.000 1.637 165 R CA -0.474 55.609 56.100 -0.029 0.000 1.663 165 R CB 0.269 30.575 30.300 0.010 0.000 1.228 165 R HN 0.123 nan 8.270 nan 0.000 0.632 166 I N 5.934 126.470 120.570 -0.057 0.000 2.347 166 I HA 0.067 4.231 4.170 -0.009 0.000 0.294 166 I C 1.482 177.564 176.117 -0.059 0.000 1.090 166 I CA 0.319 61.579 61.300 -0.067 0.000 1.314 166 I CB -0.336 37.622 38.000 -0.071 0.000 1.423 166 I HN 0.628 nan 8.210 nan 0.000 0.503 167 L N 5.094 126.281 121.223 -0.060 0.000 6.519 167 L HA -0.301 4.033 4.340 -0.009 0.000 0.053 167 L C 1.355 178.198 176.870 -0.045 0.000 1.992 167 L CA 1.324 56.126 54.840 -0.062 0.000 1.661 167 L CB -1.536 40.470 42.059 -0.088 0.000 2.744 167 L HN 0.667 nan 8.230 nan 0.000 1.041 168 G N -1.095 107.676 108.800 -0.048 0.000 3.502 168 G HA2 0.423 4.378 3.960 -0.009 0.000 0.267 168 G HA3 0.423 4.378 3.960 -0.009 0.000 0.267 168 G C 0.633 175.511 174.900 -0.036 0.000 1.090 168 G CA -0.140 44.937 45.100 -0.037 0.000 0.795 168 G HN 0.194 nan 8.290 nan 0.000 0.535 169 L N 0.264 121.463 121.223 -0.039 0.000 2.509 169 L HA 0.363 4.697 4.340 -0.009 0.000 0.222 169 L C 1.745 178.599 176.870 -0.028 0.000 1.123 169 L CA 0.870 55.690 54.840 -0.033 0.000 0.856 169 L CB -0.723 41.315 42.059 -0.035 0.000 0.985 169 L HN 0.409 nan 8.230 nan 0.000 0.456 170 G N -0.595 108.187 108.800 -0.029 0.000 2.508 170 G HA2 -0.253 3.702 3.960 -0.009 0.000 0.220 170 G HA3 -0.253 3.702 3.960 -0.009 0.000 0.220 170 G C -0.451 174.427 174.900 -0.036 0.000 1.287 170 G CA -0.147 44.936 45.100 -0.029 0.000 0.916 170 G HN 0.133 nan 8.290 nan 0.000 0.574 171 D N 1.226 121.601 120.400 -0.041 0.000 2.352 171 D HA 0.413 5.047 4.640 -0.009 0.000 0.245 171 D C 1.363 177.633 176.300 -0.050 0.000 1.224 171 D CA -0.081 53.888 54.000 -0.053 0.000 0.879 171 D CB 0.244 41.007 40.800 -0.061 0.000 1.057 171 D HN 0.393 nan 8.370 nan 0.000 0.491 172 L N 3.178 124.381 121.223 -0.033 0.000 2.808 172 L HA 0.265 4.599 4.340 -0.009 0.000 0.246 172 L C 1.668 178.556 176.870 0.031 0.000 1.153 172 L CA -0.122 54.724 54.840 0.011 0.000 0.956 172 L CB -0.076 42.022 42.059 0.064 0.000 1.270 172 L HN 0.603 nan 8.230 nan 0.000 0.528 173 G N 0.902 109.701 108.800 -0.002 0.000 2.614 173 G HA2 -0.364 3.590 3.960 -0.009 0.000 0.303 173 G HA3 -0.364 3.590 3.960 -0.009 0.000 0.303 173 G C 0.836 175.781 174.900 0.075 0.000 1.270 173 G CA 0.283 45.418 45.100 0.058 0.000 0.988 173 G HN -0.078 nan 8.290 nan 0.000 0.551 174 V N 0.466 120.445 119.914 0.109 0.000 2.720 174 V HA -0.161 3.953 4.120 -0.009 0.000 0.256 174 V C 2.304 178.531 176.094 0.221 0.000 1.082 174 V CA 2.594 64.946 62.300 0.086 0.000 1.101 174 V CB -0.891 30.891 31.823 -0.068 0.000 0.693 174 V HN 0.555 nan 8.190 nan 0.000 0.479 175 Y N 0.684 121.044 120.300 0.099 0.000 2.483 175 Y HA -0.129 4.415 4.550 -0.009 0.000 0.291 175 Y C 2.437 178.164 175.900 -0.288 0.000 1.143 175 Y CA 0.207 58.329 58.100 0.037 0.000 1.289 175 Y CB -0.214 38.347 38.460 0.168 0.000 0.983 175 Y HN 0.430 nan 8.280 nan 0.000 0.556 176 G N -0.140 108.637 108.800 -0.038 0.000 2.679 176 G HA2 -0.257 3.697 3.960 -0.009 0.000 0.212 176 G HA3 -0.257 3.697 3.960 -0.009 0.000 0.212 176 G C 1.410 176.144 174.900 -0.275 0.000 1.137 176 G CA 0.280 45.280 45.100 -0.167 0.000 0.787 176 G HN 0.291 nan 8.290 nan 0.000 0.534 177 M N 1.894 121.310 119.600 -0.307 0.000 2.267 177 M HA 0.055 4.529 4.480 -0.009 0.000 0.263 177 M C 2.330 178.432 176.300 -0.330 0.000 1.063 177 M CA 1.428 56.556 55.300 -0.287 0.000 1.090 177 M CB -0.722 31.814 32.600 -0.105 0.000 1.392 177 M HN 0.085 nan 8.290 nan 0.000 0.422 178 G N 0.503 108.912 108.800 -0.651 0.000 2.462 178 G HA2 -0.176 3.778 3.960 -0.009 0.000 0.220 178 G HA3 -0.176 3.778 3.960 -0.009 0.000 0.220 178 G C 1.408 176.256 174.900 -0.086 0.000 1.121 178 G CA 1.100 46.012 45.100 -0.313 0.000 0.758 178 G HN 0.479 nan 8.290 nan 0.000 0.559 179 I N 1.835 122.318 120.570 -0.144 0.000 2.133 179 I HA -0.053 4.111 4.170 -0.009 0.000 0.238 179 I C 0.033 176.108 176.117 -0.071 0.000 1.074 179 I CA 0.980 62.234 61.300 -0.077 0.000 1.342 179 I CB -1.994 35.940 38.000 -0.110 0.000 1.053 179 I HN 0.079 nan 8.210 nan 0.000 0.404 180 P HA -0.098 nan 4.420 nan 0.000 0.216 180 P C 2.253 179.470 177.300 -0.139 0.000 1.150 180 P CA 1.086 64.077 63.100 -0.182 0.000 0.837 180 P CB 0.039 31.592 31.700 -0.245 0.000 0.786 181 V N -0.042 119.823 119.914 -0.081 0.000 2.295 181 V HA -0.197 3.917 4.120 -0.009 0.000 0.246 181 V C 2.585 178.712 176.094 0.055 0.000 1.049 181 V CA 2.606 64.897 62.300 -0.014 0.000 1.024 181 V CB -1.836 30.023 31.823 0.060 0.000 0.648 181 V HN 0.181 nan 8.190 nan 0.000 0.447 182 G N -0.712 108.156 108.800 0.114 0.000 2.421 182 G HA2 -0.284 3.671 3.960 -0.009 0.000 0.216 182 G HA3 -0.284 3.671 3.960 -0.009 0.000 0.216 182 G C 1.629 176.646 174.900 0.195 0.000 1.171 182 G CA 1.047 46.272 45.100 0.208 0.000 0.775 182 G HN 0.403 nan 8.290 nan 0.000 0.543 183 K N 0.092 120.567 120.400 0.126 0.000 2.032 183 K HA 0.070 4.385 4.320 -0.009 0.000 0.209 183 K C 2.490 179.168 176.600 0.130 0.000 1.048 183 K CA 0.874 57.207 56.287 0.077 0.000 0.927 183 K CB -0.481 31.898 32.500 -0.201 0.000 0.712 183 K HN 0.327 nan 8.250 nan 0.000 0.441 184 L N -0.351 120.831 121.223 -0.068 0.000 2.201 184 L HA -0.210 4.125 4.340 -0.009 0.000 0.212 184 L C 2.264 179.205 176.870 0.118 0.000 1.105 184 L CA 0.665 55.409 54.840 -0.160 0.000 0.775 184 L CB -0.344 41.535 42.059 -0.301 0.000 0.913 184 L HN 0.285 nan 8.230 nan 0.000 0.440 185 C N -0.066 119.353 119.300 0.198 0.000 2.425 185 C HA -0.148 4.307 4.460 -0.009 0.000 0.277 185 C C 2.647 177.837 174.990 0.333 0.000 1.280 185 C CA 0.578 59.814 59.018 0.364 0.000 1.744 185 C CB -0.775 27.174 27.740 0.347 0.000 1.989 185 C HN 0.451 nan 8.230 nan 0.000 0.491 186 L N -1.345 120.036 121.223 0.263 0.000 2.313 186 L HA -0.084 4.251 4.340 -0.009 0.000 0.214 186 L C 2.402 179.421 176.870 0.249 0.000 1.119 186 L CA 1.007 55.962 54.840 0.192 0.000 0.809 186 L CB -0.636 41.501 42.059 0.129 0.000 0.933 186 L HN 0.282 nan 8.230 nan 0.000 0.449 187 Y N 0.862 121.251 120.300 0.148 0.000 2.128 187 Y HA -0.272 4.272 4.550 -0.009 0.000 0.284 187 Y C 2.849 178.735 175.900 -0.023 0.000 1.154 187 Y CA 1.868 60.026 58.100 0.097 0.000 1.149 187 Y CB -0.861 37.644 38.460 0.074 0.000 0.976 187 Y HN 0.121 nan 8.280 nan 0.000 0.505 188 T N -0.412 114.193 114.554 0.086 0.000 2.698 188 T HA -0.119 4.225 4.350 -0.009 0.000 0.260 188 T C 2.212 176.852 174.700 -0.099 0.000 1.044 188 T CA 1.352 63.343 62.100 -0.181 0.000 1.149 188 T CB -0.794 67.633 68.868 -0.736 0.000 0.864 188 T HN 0.365 nan 8.240 nan 0.000 0.419 189 A N 0.461 123.299 122.820 0.029 0.000 1.940 189 A HA -0.139 4.175 4.320 -0.009 0.000 0.219 189 A C 2.610 180.191 177.584 -0.005 0.000 1.176 189 A CA 1.743 53.826 52.037 0.077 0.000 0.631 189 A CB -1.191 17.869 19.000 0.099 0.000 0.814 189 A HN 0.653 nan 8.150 nan 0.000 0.446 190 C N -2.293 116.983 119.300 -0.041 0.000 2.524 190 C HA 0.465 4.920 4.460 -0.009 0.000 0.284 190 C C 2.836 177.774 174.990 -0.087 0.000 1.346 190 C CA 0.484 59.444 59.018 -0.097 0.000 1.739 190 C CB -0.594 27.035 27.740 -0.186 0.000 2.119 190 C HN 0.684 nan 8.230 nan 0.000 0.501 191 A N -0.479 122.293 122.820 -0.079 0.000 2.390 191 A HA 0.499 4.813 4.320 -0.009 0.000 0.232 191 A C 1.572 179.132 177.584 -0.040 0.000 1.233 191 A CA 0.986 52.976 52.037 -0.079 0.000 0.907 191 A CB -0.565 18.360 19.000 -0.126 0.000 0.967 191 A HN 1.158 nan 8.150 nan 0.000 0.512 192 G N 0.036 108.830 108.800 -0.009 0.000 2.198 192 G HA2 -0.239 3.716 3.960 -0.009 0.000 0.260 192 G HA3 -0.239 3.716 3.960 -0.009 0.000 0.260 192 G C 0.099 175.032 174.900 0.056 0.000 1.025 192 G CA 0.426 45.558 45.100 0.053 0.000 0.769 192 G HN 0.496 nan 8.290 nan 0.000 0.507 193 I N 0.681 121.246 120.570 -0.007 0.000 2.529 193 I HA 0.183 4.347 4.170 -0.009 0.000 0.284 193 I C 1.403 177.441 176.117 -0.133 0.000 1.082 193 I CA -0.631 60.660 61.300 -0.015 0.000 1.406 193 I CB 0.533 38.566 38.000 0.055 0.000 1.405 193 I HN 0.107 nan 8.210 nan 0.000 0.548 194 R N 7.642 128.059 120.500 -0.138 0.000 2.522 194 R HA 0.047 4.381 4.340 -0.009 0.000 0.284 194 R C -1.497 174.543 176.300 -0.432 0.000 1.032 194 R CA -1.045 54.830 56.100 -0.375 0.000 1.049 194 R CB 0.111 30.319 30.300 -0.153 0.000 0.956 194 R HN 0.457 nan 8.270 nan 0.000 0.422 195 P HA -0.190 nan 4.420 nan 0.000 0.217 195 P C 0.527 177.710 177.300 -0.195 0.000 1.150 195 P CA 1.314 64.159 63.100 -0.425 0.000 0.832 195 P CB 0.096 31.489 31.700 -0.512 0.000 0.787 196 D N -0.015 120.277 120.400 -0.181 0.000 2.350 196 D HA -0.171 4.463 4.640 -0.009 0.000 0.216 196 D C 1.540 177.838 176.300 -0.004 0.000 0.968 196 D CA 0.923 54.900 54.000 -0.040 0.000 0.894 196 D CB -0.893 39.901 40.800 -0.010 0.000 0.909 196 D HN 0.279 nan 8.370 nan 0.000 0.520 197 Q N -0.678 119.079 119.800 -0.071 0.000 2.319 197 Q HA 0.179 4.514 4.340 -0.009 0.000 0.202 197 Q C -0.079 175.845 176.000 -0.126 0.000 0.896 197 Q CA -0.077 55.671 55.803 -0.091 0.000 0.942 197 Q CB 0.737 29.410 28.738 -0.108 0.000 1.083 197 Q HN 0.251 nan 8.270 nan 0.000 0.510 198 C N 1.282 120.515 119.300 -0.112 0.000 2.376 198 C HA 0.633 5.088 4.460 -0.009 0.000 0.335 198 C C -0.363 174.509 174.990 -0.197 0.000 1.229 198 C CA -0.971 57.938 59.018 -0.180 0.000 1.867 198 C CB 0.707 28.326 27.740 -0.200 0.000 2.319 198 C HN 0.324 nan 8.230 nan 0.000 0.515 199 L N 5.658 126.671 121.223 -0.350 0.000 2.415 199 L HA 0.573 4.907 4.340 -0.009 0.000 0.268 199 L C -2.839 173.726 176.870 -0.508 0.000 0.984 199 L CA -1.881 52.631 54.840 -0.548 0.000 0.853 199 L CB 1.345 42.960 42.059 -0.739 0.000 1.215 199 L HN 0.394 nan 8.230 nan 0.000 0.419 200 P HA 0.397 nan 4.420 nan 0.000 0.281 200 P C -1.279 175.738 177.300 -0.472 0.000 1.252 200 P CA -0.236 62.623 63.100 -0.402 0.000 0.778 200 P CB 1.490 33.012 31.700 -0.298 0.000 0.895 201 V N 3.432 123.094 119.914 -0.419 0.000 2.709 201 V HA 0.392 4.507 4.120 -0.009 0.000 0.308 201 V C -0.454 175.372 176.094 -0.447 0.000 1.062 201 V CA -0.518 61.520 62.300 -0.438 0.000 0.901 201 V CB 2.298 33.907 31.823 -0.357 0.000 1.003 201 V HN 0.659 nan 8.190 nan 0.000 0.425 202 C N 6.816 125.840 119.300 -0.461 0.000 2.340 202 C HA 0.641 5.096 4.460 -0.009 0.000 0.323 202 C C -0.461 174.367 174.990 -0.270 0.000 1.260 202 C CA -0.538 58.264 59.018 -0.360 0.000 1.464 202 C CB -0.221 27.330 27.740 -0.315 0.000 2.156 202 C HN 0.718 nan 8.230 nan 0.000 0.476 203 I N 5.429 125.822 120.570 -0.296 0.000 2.304 203 I HA 0.272 4.436 4.170 -0.009 0.000 0.291 203 I C 0.032 176.090 176.117 -0.098 0.000 1.018 203 I CA 0.404 61.570 61.300 -0.223 0.000 1.260 203 I CB 1.019 38.855 38.000 -0.273 0.000 1.390 203 I HN 0.690 nan 8.210 nan 0.000 0.475 204 D N 6.521 126.906 120.400 -0.026 0.000 2.427 204 D HA 0.302 4.936 4.640 -0.009 0.000 0.226 204 D C 0.520 176.848 176.300 0.046 0.000 1.076 204 D CA -0.400 53.606 54.000 0.011 0.000 0.849 204 D CB 1.214 42.022 40.800 0.012 0.000 1.052 204 D HN 0.321 nan 8.370 nan 0.000 0.515 205 V N 1.741 121.702 119.914 0.079 0.000 3.214 205 V HA 0.726 4.840 4.120 -0.009 0.000 0.330 205 V C 0.860 176.997 176.094 0.071 0.000 1.403 205 V CA 0.357 62.727 62.300 0.117 0.000 1.143 205 V CB -0.426 31.544 31.823 0.246 0.000 1.098 205 V HN 0.717 nan 8.190 nan 0.000 0.463 206 G N -0.145 108.685 108.800 0.050 0.000 2.498 206 G HA2 0.240 4.194 3.960 -0.009 0.000 0.651 206 G HA3 0.240 4.194 3.960 -0.009 0.000 0.651 206 G C -0.440 174.469 174.900 0.015 0.000 1.284 206 G CA -0.010 45.114 45.100 0.040 0.000 0.950 206 G HN 1.255 nan 8.290 nan 0.000 0.511 207 T N -1.406 113.135 114.554 -0.022 0.000 2.923 207 T HA 0.586 4.931 4.350 -0.009 0.000 0.311 207 T C -0.621 174.024 174.700 -0.092 0.000 1.183 207 T CA 0.277 62.333 62.100 -0.074 0.000 1.020 207 T CB 1.766 70.549 68.868 -0.140 0.000 1.165 207 T HN 0.418 nan 8.240 nan 0.000 0.482 208 D N 1.803 122.150 120.400 -0.087 0.000 2.349 208 D HA 0.123 4.757 4.640 -0.009 0.000 0.214 208 D C 0.424 176.671 176.300 -0.088 0.000 1.063 208 D CA 0.044 53.998 54.000 -0.076 0.000 0.847 208 D CB 0.174 40.938 40.800 -0.060 0.000 0.933 208 D HN 0.443 nan 8.370 nan 0.000 0.513 209 N N 2.170 120.796 118.700 -0.122 0.000 2.402 209 N HA -0.037 4.697 4.740 -0.009 0.000 0.259 209 N C 1.263 176.689 175.510 -0.140 0.000 1.167 209 N CA -0.140 52.835 53.050 -0.126 0.000 0.949 209 N CB 0.363 38.758 38.487 -0.153 0.000 1.212 209 N HN -0.086 nan 8.380 nan 0.000 0.493 210 I N 2.888 123.403 120.570 -0.092 0.000 2.194 210 I HA -0.307 3.857 4.170 -0.009 0.000 0.246 210 I C 2.164 178.232 176.117 -0.081 0.000 1.093 210 I CA 1.180 62.433 61.300 -0.077 0.000 1.355 210 I CB -1.574 36.396 38.000 -0.050 0.000 1.046 210 I HN 0.563 nan 8.210 nan 0.000 0.413 211 A N 0.846 123.624 122.820 -0.070 0.000 1.908 211 A HA -0.181 4.134 4.320 -0.009 0.000 0.218 211 A C 2.411 179.950 177.584 -0.075 0.000 1.181 211 A CA 1.415 53.425 52.037 -0.046 0.000 0.627 211 A CB -0.820 18.171 19.000 -0.015 0.000 0.818 211 A HN 0.428 nan 8.150 nan 0.000 0.445 212 L N -0.730 120.380 121.223 -0.188 0.000 2.093 212 L HA -0.130 4.205 4.340 -0.009 0.000 0.208 212 L C 2.360 179.000 176.870 -0.384 0.000 1.085 212 L CA 0.844 55.447 54.840 -0.394 0.000 0.755 212 L CB -0.535 41.048 42.059 -0.793 0.000 0.904 212 L HN 0.367 nan 8.230 nan 0.000 0.435 213 L N -0.321 120.743 121.223 -0.265 0.000 2.353 213 L HA -0.185 4.150 4.340 -0.009 0.000 0.220 213 L C 1.914 178.810 176.870 0.044 0.000 1.133 213 L CA 1.197 56.014 54.840 -0.039 0.000 0.798 213 L CB -0.304 41.728 42.059 -0.045 0.000 0.922 213 L HN 0.246 nan 8.230 nan 0.000 0.445 214 K N -1.195 119.196 120.400 -0.016 0.000 2.358 214 K HA 0.065 4.379 4.320 -0.009 0.000 0.200 214 K C 0.034 176.630 176.600 -0.006 0.000 1.030 214 K CA -0.215 56.050 56.287 -0.037 0.000 1.097 214 K CB 0.418 32.892 32.500 -0.043 0.000 0.862 214 K HN 0.002 nan 8.250 nan 0.000 0.534 215 D N 2.162 122.607 120.400 0.075 0.000 2.316 215 D HA 0.048 4.682 4.640 -0.009 0.000 0.245 215 D C -1.560 174.821 176.300 0.134 0.000 1.171 215 D CA -2.205 51.868 54.000 0.122 0.000 0.856 215 D CB 1.532 42.473 40.800 0.235 0.000 1.090 215 D HN -0.044 nan 8.370 nan 0.000 0.476 216 P HA -0.055 nan 4.420 nan 0.000 0.234 216 P C 0.619 177.803 177.300 -0.193 0.000 1.167 216 P CA 0.445 63.408 63.100 -0.228 0.000 0.763 216 P CB 0.042 31.450 31.700 -0.487 0.000 0.835 217 F N -2.146 117.873 119.950 0.114 0.000 2.695 217 F HA 0.228 4.749 4.527 -0.009 0.000 0.303 217 F C 1.214 177.145 175.800 0.218 0.000 1.091 217 F CA -1.629 56.403 58.000 0.053 0.000 1.300 217 F CB -1.146 37.737 39.000 -0.195 0.000 1.071 217 F HN -0.153 nan 8.300 nan 0.000 0.578 218 Y N 1.091 121.543 120.300 0.254 0.000 2.712 218 Y HA -0.049 4.496 4.550 -0.009 0.000 0.333 218 Y C 1.280 177.151 175.900 -0.049 0.000 1.225 218 Y CA 0.180 58.295 58.100 0.026 0.000 1.499 218 Y CB 0.620 38.955 38.460 -0.208 0.000 1.288 218 Y HN 0.040 nan 8.280 nan 0.000 0.575 219 M N 5.212 124.404 119.600 -0.679 0.000 2.431 219 M HA 0.225 4.700 4.480 -0.009 0.000 0.237 219 M C 0.660 176.439 176.300 -0.868 0.000 1.130 219 M CA 0.236 55.176 55.300 -0.600 0.000 1.002 219 M CB 0.376 32.850 32.600 -0.210 0.000 1.524 219 M HN 0.720 nan 8.290 nan 0.000 0.482 220 G N -0.209 107.633 108.800 -1.598 0.000 3.108 220 G HA2 0.583 4.538 3.960 -0.009 0.000 0.268 220 G HA3 0.583 4.538 3.960 -0.009 0.000 0.268 220 G C -0.867 173.688 174.900 -0.575 0.000 1.361 220 G CA -0.725 43.839 45.100 -0.894 0.000 1.047 220 G HN -0.091 nan 8.290 nan 0.000 0.540 221 L N 0.224 121.315 121.223 -0.220 0.000 2.453 221 L HA 0.139 4.473 4.340 -0.009 0.000 0.272 221 L C -0.324 176.526 176.870 -0.033 0.000 1.182 221 L CA 0.150 54.929 54.840 -0.103 0.000 0.858 221 L CB 0.223 42.276 42.059 -0.011 0.000 1.120 221 L HN 0.488 nan 8.230 nan 0.000 0.474 222 Y N 3.205 123.569 120.300 0.106 0.000 2.667 222 Y HA 0.213 4.758 4.550 -0.009 0.000 0.340 222 Y C 0.730 176.647 175.900 0.028 0.000 1.303 222 Y CA -0.348 57.800 58.100 0.081 0.000 1.769 222 Y CB 0.022 38.511 38.460 0.048 0.000 1.804 222 Y HN 0.551 nan 8.280 nan 0.000 0.451 223 Q N -0.261 119.613 119.800 0.124 0.000 2.482 223 Q HA 0.481 4.815 4.340 -0.009 0.000 0.286 223 Q C -1.458 174.560 176.000 0.029 0.000 1.007 223 Q CA -1.376 54.470 55.803 0.071 0.000 0.801 223 Q CB 1.807 30.584 28.738 0.064 0.000 1.455 223 Q HN 0.183 nan 8.270 nan 0.000 0.398 224 K N 0.913 121.320 120.400 0.012 0.000 2.180 224 K HA 0.278 4.592 4.320 -0.009 0.000 0.251 224 K C -0.234 176.362 176.600 -0.007 0.000 1.014 224 K CA -0.524 55.756 56.287 -0.012 0.000 0.913 224 K CB 0.582 33.073 32.500 -0.016 0.000 1.008 224 K HN 0.404 nan 8.250 nan 0.000 0.490 225 R N 1.659 122.143 120.500 -0.027 0.000 2.538 225 R HA -0.085 4.250 4.340 -0.009 0.000 0.282 225 R C -0.056 176.230 176.300 -0.024 0.000 1.009 225 R CA 0.188 56.268 56.100 -0.034 0.000 1.063 225 R CB 0.175 30.427 30.300 -0.080 0.000 0.945 225 R HN 0.512 nan 8.270 nan 0.000 0.414 226 D N 2.870 123.275 120.400 0.009 0.000 2.336 226 D HA 0.032 4.667 4.640 -0.009 0.000 0.249 226 D C 0.049 176.354 176.300 0.009 0.000 1.213 226 D CA 0.020 54.046 54.000 0.044 0.000 0.870 226 D CB 0.650 41.515 40.800 0.109 0.000 1.076 226 D HN 0.413 nan 8.370 nan 0.000 0.483 227 R N 2.085 122.579 120.500 -0.010 0.000 2.552 227 R HA 0.124 4.458 4.340 -0.009 0.000 0.314 227 R C 0.806 177.143 176.300 0.063 0.000 1.041 227 R CA -0.299 55.778 56.100 -0.038 0.000 1.076 227 R CB 0.588 30.845 30.300 -0.072 0.000 1.290 227 R HN 0.456 nan 8.270 nan 0.000 0.563 228 T N -2.633 111.985 114.554 0.107 0.000 2.814 228 T HA -0.001 4.343 4.350 -0.009 0.000 0.284 228 T C 1.256 176.062 174.700 0.177 0.000 0.998 228 T CA -0.582 61.589 62.100 0.117 0.000 0.935 228 T CB 1.132 70.058 68.868 0.096 0.000 1.167 228 T HN -0.069 nan 8.240 nan 0.000 0.545 229 Q N -0.042 119.845 119.800 0.144 0.000 2.234 229 Q HA -0.144 4.190 4.340 -0.009 0.000 0.206 229 Q C 2.282 178.384 176.000 0.170 0.000 0.980 229 Q CA 1.749 57.644 55.803 0.154 0.000 0.869 229 Q CB -0.726 28.077 28.738 0.109 0.000 0.912 229 Q HN 0.786 nan 8.270 nan 0.000 0.436 230 Q N -1.461 118.434 119.800 0.159 0.000 2.234 230 Q HA -0.208 4.127 4.340 -0.009 0.000 0.206 230 Q C 1.488 177.603 176.000 0.192 0.000 0.980 230 Q CA 1.401 57.293 55.803 0.148 0.000 0.869 230 Q CB -0.239 28.576 28.738 0.127 0.000 0.912 230 Q HN 0.551 nan 8.270 nan 0.000 0.436 231 Y N 1.877 122.256 120.300 0.132 0.000 2.133 231 Y HA -0.212 4.332 4.550 -0.009 0.000 0.287 231 Y C 1.610 177.644 175.900 0.224 0.000 1.134 231 Y CA 1.798 60.001 58.100 0.172 0.000 1.133 231 Y CB -0.146 38.432 38.460 0.197 0.000 0.987 231 Y HN 0.040 nan 8.280 nan 0.000 0.502 232 D N 0.258 120.799 120.400 0.235 0.000 2.123 232 D HA -0.172 4.462 4.640 -0.009 0.000 0.196 232 D C 1.720 178.073 176.300 0.088 0.000 0.992 232 D CA 1.712 55.830 54.000 0.196 0.000 0.833 232 D CB -0.417 40.560 40.800 0.295 0.000 0.954 232 D HN 0.424 nan 8.370 nan 0.000 0.455 233 D N -0.149 120.309 120.400 0.096 0.000 2.117 233 D HA -0.122 4.512 4.640 -0.009 0.000 0.197 233 D C 2.070 178.388 176.300 0.031 0.000 0.987 233 D CA 0.317 54.360 54.000 0.071 0.000 0.829 233 D CB -0.360 40.484 40.800 0.074 0.000 0.961 233 D HN 0.126 nan 8.370 nan 0.000 0.460 234 L N 0.691 121.916 121.223 0.003 0.000 2.017 234 L HA -0.139 4.195 4.340 -0.009 0.000 0.208 234 L C 1.943 178.785 176.870 -0.048 0.000 1.073 234 L CA 1.365 56.194 54.840 -0.017 0.000 0.745 234 L CB -0.404 41.644 42.059 -0.019 0.000 0.894 234 L HN -0.019 nan 8.230 nan 0.000 0.432 235 I N -0.369 120.106 120.570 -0.158 0.000 2.286 235 I HA -0.259 3.906 4.170 -0.009 0.000 0.248 235 I C 2.221 178.311 176.117 -0.045 0.000 1.115 235 I CA 1.233 62.428 61.300 -0.176 0.000 1.392 235 I CB -1.477 36.210 38.000 -0.522 0.000 1.065 235 I HN 0.337 nan 8.210 nan 0.000 0.418 236 D N 0.624 121.029 120.400 0.008 0.000 2.097 236 D HA -0.216 4.419 4.640 -0.009 0.000 0.195 236 D C 2.113 178.400 176.300 -0.022 0.000 0.989 236 D CA 1.161 55.193 54.000 0.053 0.000 0.827 236 D CB -0.029 40.849 40.800 0.129 0.000 0.966 236 D HN 0.425 nan 8.370 nan 0.000 0.456 237 E N -0.500 119.701 120.200 0.003 0.000 2.110 237 E HA -0.187 4.157 4.350 -0.009 0.000 0.193 237 E C 2.065 178.643 176.600 -0.037 0.000 0.988 237 E CA 0.525 56.919 56.400 -0.010 0.000 0.804 237 E CB -0.149 29.558 29.700 0.010 0.000 0.745 237 E HN 0.208 nan 8.360 nan 0.000 0.458 238 F N 1.107 120.956 119.950 -0.168 0.000 2.075 238 F HA -0.246 4.275 4.527 -0.010 0.000 0.297 238 F C 2.057 177.687 175.800 -0.284 0.000 1.113 238 F CA 1.467 59.340 58.000 -0.211 0.000 1.218 238 F CB -0.299 38.552 39.000 -0.248 0.000 0.984 238 F HN 0.008 nan 8.300 nan 0.000 0.472 239 M N 0.780 119.916 119.600 -0.774 0.000 2.080 239 M HA -0.213 4.261 4.480 -0.009 0.000 0.260 239 M C 2.320 178.192 176.300 -0.713 0.000 1.068 239 M CA 1.874 56.534 55.300 -1.067 0.000 1.109 239 M CB -1.509 30.377 32.600 -1.190 0.000 1.342 239 M HN 0.272 nan 8.290 nan 0.000 0.405 240 K N 0.122 120.308 120.400 -0.358 0.000 2.057 240 K HA -0.092 4.222 4.320 -0.009 0.000 0.207 240 K C 2.002 178.505 176.600 -0.161 0.000 1.049 240 K CA 1.520 57.722 56.287 -0.141 0.000 0.931 240 K CB -0.035 32.443 32.500 -0.036 0.000 0.714 240 K HN 0.232 nan 8.250 nan 0.000 0.440 241 A N 1.524 124.229 122.820 -0.192 0.000 1.902 241 A HA -0.134 4.180 4.320 -0.009 0.000 0.217 241 A C 2.055 179.527 177.584 -0.188 0.000 1.181 241 A CA 1.226 53.173 52.037 -0.150 0.000 0.623 241 A CB -0.471 18.469 19.000 -0.099 0.000 0.818 241 A HN 0.286 nan 8.150 nan 0.000 0.443 242 I N 0.868 121.254 120.570 -0.307 0.000 2.179 242 I HA -0.211 3.954 4.170 -0.009 0.000 0.242 242 I C 2.817 178.865 176.117 -0.115 0.000 1.088 242 I CA 2.355 63.514 61.300 -0.234 0.000 1.357 242 I CB -1.721 35.974 38.000 -0.507 0.000 1.051 242 I HN 0.570 nan 8.210 nan 0.000 0.409 243 T N -2.276 112.176 114.554 -0.170 0.000 2.951 243 T HA -0.104 4.240 4.350 -0.009 0.000 0.268 243 T C 1.559 176.241 174.700 -0.031 0.000 1.073 243 T CA 0.920 62.991 62.100 -0.047 0.000 1.134 243 T CB -0.276 68.609 68.868 0.028 0.000 0.884 243 T HN 0.134 nan 8.240 nan 0.000 0.479 244 D N 1.390 121.749 120.400 -0.068 0.000 2.097 244 D HA -0.065 4.570 4.640 -0.009 0.000 0.195 244 D C 2.261 178.498 176.300 -0.104 0.000 0.989 244 D CA 1.081 55.042 54.000 -0.065 0.000 0.827 244 D CB -0.259 40.499 40.800 -0.069 0.000 0.966 244 D HN 0.465 nan 8.370 nan 0.000 0.456 245 R N -0.823 119.560 120.500 -0.195 0.000 2.062 245 R HA -0.062 4.272 4.340 -0.009 0.000 0.226 245 R C 1.774 177.845 176.300 -0.381 0.000 1.125 245 R CA 0.917 56.802 56.100 -0.360 0.000 0.966 245 R CB -0.119 29.806 30.300 -0.624 0.000 0.861 245 R HN 0.250 nan 8.270 nan 0.000 0.433 246 Y N -0.654 119.643 120.300 -0.006 0.000 2.478 246 Y HA 0.350 4.894 4.550 -0.010 0.000 0.261 246 Y C 0.657 176.567 175.900 0.016 0.000 1.127 246 Y CA 0.149 58.259 58.100 0.016 0.000 1.288 246 Y CB 1.328 39.785 38.460 -0.005 0.000 1.084 246 Y HN 0.360 nan 8.280 nan 0.000 0.530 247 G N 0.286 109.152 108.800 0.111 0.000 2.528 247 G HA2 -0.134 3.821 3.960 -0.009 0.000 0.681 247 G HA3 -0.134 3.821 3.960 -0.009 0.000 0.681 247 G C -0.294 174.640 174.900 0.057 0.000 1.340 247 G CA -0.775 44.370 45.100 0.075 0.000 0.855 247 G HN 0.016 nan 8.290 nan 0.000 0.649 248 R N 1.055 121.578 120.500 0.038 0.000 2.193 248 R HA -0.049 4.286 4.340 -0.009 0.000 0.229 248 R C 2.187 178.507 176.300 0.035 0.000 1.110 248 R CA 2.241 58.370 56.100 0.048 0.000 0.988 248 R CB -0.155 30.144 30.300 -0.002 0.000 0.871 248 R HN 0.680 nan 8.270 nan 0.000 0.458 249 N N -1.157 117.545 118.700 0.002 0.000 2.270 249 N HA -0.024 4.710 4.740 -0.009 0.000 0.198 249 N C -0.661 174.860 175.510 0.019 0.000 1.117 249 N CA 0.037 53.078 53.050 -0.016 0.000 0.845 249 N CB -0.117 38.348 38.487 -0.036 0.000 0.980 249 N HN -0.122 nan 8.380 nan 0.000 0.486 250 T N 2.320 116.891 114.554 0.028 0.000 2.866 250 T HA -0.016 4.328 4.350 -0.009 0.000 0.293 250 T C 0.466 175.176 174.700 0.017 0.000 1.005 250 T CA -0.202 61.904 62.100 0.009 0.000 1.162 250 T CB 0.811 69.676 68.868 -0.006 0.000 0.968 250 T HN 0.227 nan 8.240 nan 0.000 0.530 251 L N 5.138 126.386 121.223 0.042 0.000 2.410 251 L HA 0.363 4.698 4.340 -0.009 0.000 0.273 251 L C -0.392 176.521 176.870 0.072 0.000 1.144 251 L CA -0.010 54.898 54.840 0.114 0.000 0.863 251 L CB 0.174 42.344 42.059 0.185 0.000 1.140 251 L HN 0.660 nan 8.230 nan 0.000 0.463 252 I N 5.614 126.243 120.570 0.098 0.000 2.448 252 I HA 0.211 4.375 4.170 -0.009 0.000 0.281 252 I C -0.303 175.852 176.117 0.063 0.000 1.027 252 I CA -0.334 60.980 61.300 0.024 0.000 1.111 252 I CB 1.724 39.700 38.000 -0.040 0.000 1.236 252 I HN 0.595 nan 8.210 nan 0.000 0.452 253 Q N 6.086 125.837 119.800 -0.082 0.000 2.360 253 Q HA 0.383 4.717 4.340 -0.009 0.000 0.254 253 Q C -1.264 174.600 176.000 -0.227 0.000 0.975 253 Q CA -0.670 54.926 55.803 -0.345 0.000 0.912 253 Q CB 0.847 29.364 28.738 -0.368 0.000 1.212 253 Q HN 0.397 nan 8.270 nan 0.000 0.452 254 F N 2.710 122.453 119.950 -0.345 0.000 2.456 254 F HA 0.235 4.757 4.527 -0.009 0.000 0.358 254 F C 0.428 176.161 175.800 -0.111 0.000 1.095 254 F CA -0.115 57.777 58.000 -0.179 0.000 1.216 254 F CB 1.114 39.941 39.000 -0.288 0.000 1.125 254 F HN 0.535 nan 8.300 nan 0.000 0.549 255 E N 1.630 121.942 120.200 0.187 0.000 2.275 255 E HA 0.330 4.675 4.350 -0.009 0.000 0.270 255 E C -1.262 175.420 176.600 0.137 0.000 0.882 255 E CA -0.568 55.881 56.400 0.082 0.000 0.758 255 E CB 0.957 30.609 29.700 -0.081 0.000 1.195 255 E HN 0.486 nan 8.360 nan 0.000 0.419 256 D N 2.288 122.744 120.400 0.093 0.000 2.689 256 D HA -0.223 4.412 4.640 -0.009 0.000 0.237 256 D C -0.999 175.314 176.300 0.022 0.000 1.148 256 D CA 0.964 54.983 54.000 0.031 0.000 0.656 256 D CB -1.357 39.407 40.800 -0.060 0.000 1.050 256 D HN 0.235 nan 8.370 nan 0.000 0.426 257 F N 0.447 120.424 119.950 0.043 0.000 2.399 257 F HA 0.558 5.079 4.527 -0.009 0.000 0.328 257 F C 1.851 177.689 175.800 0.065 0.000 1.084 257 F CA -0.039 58.025 58.000 0.106 0.000 1.053 257 F CB 1.027 40.169 39.000 0.235 0.000 1.209 257 F HN -0.028 nan 8.300 nan 0.000 0.502 258 G N 1.705 110.643 108.800 0.231 0.000 2.614 258 G HA2 -0.062 3.892 3.960 -0.009 0.000 0.239 258 G HA3 -0.062 3.892 3.960 -0.009 0.000 0.239 258 G C 0.952 175.951 174.900 0.165 0.000 1.240 258 G CA -0.339 44.848 45.100 0.145 0.000 0.842 258 G HN 0.763 nan 8.290 nan 0.000 0.584 259 N N 0.451 119.238 118.700 0.144 0.000 2.027 259 N HA -0.297 4.437 4.740 -0.009 0.000 0.200 259 N C 1.832 177.486 175.510 0.240 0.000 1.042 259 N CA 2.321 55.488 53.050 0.196 0.000 0.871 259 N CB -0.511 38.084 38.487 0.180 0.000 1.063 259 N HN 0.757 nan 8.380 nan 0.000 0.438 260 H N 0.586 119.708 119.070 0.088 0.000 2.265 260 H HA -0.041 4.510 4.556 -0.009 0.000 0.295 260 H C 1.869 177.183 175.328 -0.024 0.000 1.084 260 H CA 2.705 58.775 56.048 0.037 0.000 1.261 260 H CB -0.610 29.148 29.762 -0.006 0.000 1.360 260 H HN 0.471 nan 8.280 nan 0.000 0.487 261 N N -0.352 118.299 118.700 -0.080 0.000 2.166 261 N HA -0.132 4.602 4.740 -0.009 0.000 0.186 261 N C 2.065 177.359 175.510 -0.360 0.000 1.019 261 N CA 0.689 53.527 53.050 -0.354 0.000 0.856 261 N CB -0.154 38.399 38.487 0.111 0.000 0.993 261 N HN 0.468 nan 8.380 nan 0.000 0.426 262 A N 1.141 123.917 122.820 -0.073 0.000 1.859 262 A HA -0.188 4.127 4.320 -0.009 0.000 0.217 262 A C 1.844 179.224 177.584 -0.340 0.000 1.198 262 A CA 1.455 53.394 52.037 -0.163 0.000 0.629 262 A CB -1.058 17.836 19.000 -0.177 0.000 0.830 262 A HN 0.230 nan 8.150 nan 0.000 0.446 263 F N -0.876 118.908 119.950 -0.277 0.000 2.113 263 F HA -0.073 4.448 4.527 -0.009 0.000 0.297 263 F C 2.519 178.162 175.800 -0.261 0.000 1.103 263 F CA 1.745 59.557 58.000 -0.313 0.000 1.248 263 F CB -0.419 38.280 39.000 -0.503 0.000 0.999 263 F HN 0.095 nan 8.300 nan 0.000 0.475 264 R N -0.128 120.260 120.500 -0.186 0.000 2.096 264 R HA -0.204 4.130 4.340 -0.009 0.000 0.240 264 R C 2.242 178.380 176.300 -0.270 0.000 1.139 264 R CA 2.078 57.995 56.100 -0.305 0.000 0.952 264 R CB -0.626 29.306 30.300 -0.615 0.000 0.854 264 R HN 0.275 nan 8.270 nan 0.000 0.436 265 F N -0.526 119.254 119.950 -0.283 0.000 2.259 265 F HA -0.150 4.371 4.527 -0.009 0.000 0.298 265 F C 2.124 177.654 175.800 -0.450 0.000 1.088 265 F CA -0.181 57.554 58.000 -0.442 0.000 1.358 265 F CB -0.081 38.627 39.000 -0.486 0.000 1.040 265 F HN 0.135 nan 8.300 nan 0.000 0.505 266 L N 1.059 122.155 121.223 -0.211 0.000 2.027 266 L HA -0.148 4.186 4.340 -0.009 0.000 0.206 266 L C 2.460 179.307 176.870 -0.039 0.000 1.074 266 L CA 1.734 56.478 54.840 -0.160 0.000 0.745 266 L CB -0.729 41.225 42.059 -0.174 0.000 0.898 266 L HN -0.043 nan 8.230 nan 0.000 0.433 267 R N -0.201 120.291 120.500 -0.014 0.000 2.081 267 R HA -0.208 4.126 4.340 -0.009 0.000 0.235 267 R C 2.455 178.732 176.300 -0.037 0.000 1.131 267 R CA 1.942 58.057 56.100 0.025 0.000 0.960 267 R CB -0.334 30.012 30.300 0.077 0.000 0.856 267 R HN 0.430 nan 8.270 nan 0.000 0.436 268 K N -1.002 119.312 120.400 -0.143 0.000 2.097 268 K HA -0.147 4.168 4.320 -0.009 0.000 0.205 268 K C 1.044 177.515 176.600 -0.216 0.000 1.050 268 K CA 1.491 57.618 56.287 -0.267 0.000 0.938 268 K CB 0.033 32.231 32.500 -0.503 0.000 0.718 268 K HN 0.372 nan 8.250 nan 0.000 0.442 269 Y N -0.037 120.316 120.300 0.089 0.000 2.462 269 Y HA 0.120 4.665 4.550 -0.009 0.000 0.253 269 Y C 1.974 177.987 175.900 0.188 0.000 1.095 269 Y CA -0.332 57.877 58.100 0.182 0.000 1.283 269 Y CB 0.338 38.916 38.460 0.197 0.000 1.138 269 Y HN 0.029 nan 8.280 nan 0.000 0.522 270 R N 0.668 121.314 120.500 0.244 0.000 2.159 270 R HA -0.131 4.204 4.340 -0.009 0.000 0.237 270 R C 0.717 177.130 176.300 0.188 0.000 1.131 270 R CA 1.640 57.883 56.100 0.238 0.000 0.982 270 R CB -0.227 30.177 30.300 0.175 0.000 0.868 270 R HN 0.202 nan 8.270 nan 0.000 0.453 271 E N 0.567 120.781 120.200 0.024 0.000 2.472 271 E HA 0.027 4.372 4.350 -0.009 0.000 0.196 271 E C 1.080 177.461 176.600 -0.365 0.000 1.033 271 E CA 0.392 56.613 56.400 -0.298 0.000 0.886 271 E CB 0.564 30.146 29.700 -0.197 0.000 0.944 271 E HN 0.445 nan 8.360 nan 0.000 0.492 272 K N -0.664 119.728 120.400 -0.014 0.000 2.313 272 K HA 0.087 4.401 4.320 -0.009 0.000 0.197 272 K C -0.027 176.488 176.600 -0.142 0.000 1.061 272 K CA 0.393 56.610 56.287 -0.117 0.000 0.980 272 K CB 0.601 32.953 32.500 -0.245 0.000 0.888 272 K HN -0.082 nan 8.250 nan 0.000 0.502 273 Y N -1.397 119.102 120.300 0.331 0.000 2.693 273 Y HA 0.307 4.852 4.550 -0.009 0.000 0.331 273 Y C -0.611 175.385 175.900 0.159 0.000 1.092 273 Y CA -1.361 56.838 58.100 0.166 0.000 1.131 273 Y CB 1.221 39.718 38.460 0.062 0.000 1.318 273 Y HN -0.178 nan 8.280 nan 0.000 0.510 274 C N 2.099 121.533 119.300 0.225 0.000 2.158 274 C HA 0.656 5.111 4.460 -0.009 0.000 0.350 274 C C -0.075 175.070 174.990 0.260 0.000 1.064 274 C CA 0.202 59.313 59.018 0.156 0.000 1.507 274 C CB -2.085 25.695 27.740 0.067 0.000 1.934 274 C HN 0.685 nan 8.230 nan 0.000 0.479 275 T N 4.659 119.418 114.554 0.342 0.000 2.894 275 T HA 0.781 5.125 4.350 -0.009 0.000 0.309 275 T C -1.110 173.869 174.700 0.465 0.000 1.208 275 T CA -0.356 61.966 62.100 0.370 0.000 1.016 275 T CB 1.247 70.296 68.868 0.302 0.000 1.192 275 T HN 0.877 nan 8.240 nan 0.000 0.491 276 F N 1.620 121.713 119.950 0.240 0.000 2.686 276 F HA 0.660 5.181 4.527 -0.009 0.000 0.311 276 F C -1.302 174.583 175.800 0.142 0.000 1.128 276 F CA -1.146 56.971 58.000 0.196 0.000 0.946 276 F CB 1.430 40.652 39.000 0.370 0.000 1.336 276 F HN 0.481 nan 8.300 nan 0.000 0.457 277 N N 2.036 120.736 118.700 0.000 0.000 2.446 277 N HA 0.127 4.861 4.740 -0.009 0.000 0.265 277 N C -0.170 175.314 175.510 -0.043 0.000 0.975 277 N CA -0.123 52.844 53.050 -0.137 0.000 0.928 277 N CB 1.557 39.936 38.487 -0.181 0.000 1.160 277 N HN 0.956 nan 8.380 nan 0.000 0.495 278 D N 2.542 122.869 120.400 -0.120 0.000 2.123 278 D HA -0.145 4.490 4.640 -0.009 0.000 0.196 278 D C 0.703 177.065 176.300 0.103 0.000 0.992 278 D CA 1.415 55.496 54.000 0.136 0.000 0.833 278 D CB 0.346 41.161 40.800 0.026 0.000 0.954 278 D HN 0.570 nan 8.370 nan 0.000 0.455 279 D N -0.606 119.802 120.400 0.014 0.000 2.224 279 D HA -0.063 4.572 4.640 -0.009 0.000 0.205 279 D C 2.091 178.355 176.300 -0.059 0.000 0.965 279 D CA 0.537 54.535 54.000 -0.003 0.000 0.852 279 D CB 0.402 41.193 40.800 -0.017 0.000 0.947 279 D HN 0.399 nan 8.370 nan 0.000 0.494 280 I N 0.222 120.707 120.570 -0.141 0.000 2.729 280 I HA -0.127 4.037 4.170 -0.009 0.000 0.256 280 I C 2.240 178.252 176.117 -0.176 0.000 1.115 280 I CA 0.496 61.668 61.300 -0.213 0.000 1.446 280 I CB 0.097 37.848 38.000 -0.416 0.000 1.176 280 I HN -0.183 nan 8.210 nan 0.000 0.446 281 Q N 0.549 120.199 119.800 -0.250 0.000 2.200 281 Q HA 0.071 4.405 4.340 -0.009 0.000 0.197 281 Q C 2.277 178.029 176.000 -0.414 0.000 0.953 281 Q CA 1.118 56.580 55.803 -0.568 0.000 0.851 281 Q CB -0.239 27.777 28.738 -1.203 0.000 0.938 281 Q HN 0.511 nan 8.270 nan 0.000 0.488 282 G N 0.632 109.407 108.800 -0.042 0.000 2.459 282 G HA2 -0.257 3.698 3.960 -0.009 0.000 0.217 282 G HA3 -0.257 3.698 3.960 -0.009 0.000 0.217 282 G C 1.407 176.432 174.900 0.209 0.000 1.183 282 G CA 1.472 46.734 45.100 0.271 0.000 0.776 282 G HN 0.249 nan 8.290 nan 0.000 0.552 283 T N 1.594 116.237 114.554 0.149 0.000 2.833 283 T HA 0.054 4.398 4.350 -0.009 0.000 0.269 283 T C 2.764 177.546 174.700 0.137 0.000 1.054 283 T CA 1.374 63.558 62.100 0.140 0.000 1.135 283 T CB -0.288 68.642 68.868 0.104 0.000 0.869 283 T HN 0.386 nan 8.240 nan 0.000 0.466 284 A N 1.485 124.356 122.820 0.086 0.000 1.877 284 A HA 0.160 4.475 4.320 -0.009 0.000 0.216 284 A C 2.649 180.326 177.584 0.154 0.000 1.186 284 A CA 1.785 53.882 52.037 0.100 0.000 0.620 284 A CB -1.100 17.914 19.000 0.024 0.000 0.822 284 A HN 0.504 nan 8.150 nan 0.000 0.443 285 A N -0.843 122.081 122.820 0.175 0.000 1.873 285 A HA -0.001 4.313 4.320 -0.009 0.000 0.215 285 A C 2.335 180.045 177.584 0.209 0.000 1.186 285 A CA 1.742 53.910 52.037 0.219 0.000 0.616 285 A CB -1.096 18.091 19.000 0.311 0.000 0.823 285 A HN 0.781 nan 8.150 nan 0.000 0.442 286 V N -0.235 119.805 119.914 0.209 0.000 2.427 286 V HA -0.127 3.987 4.120 -0.009 0.000 0.248 286 V C 2.747 179.024 176.094 0.304 0.000 1.051 286 V CA 2.193 64.619 62.300 0.210 0.000 1.048 286 V CB -0.693 31.198 31.823 0.114 0.000 0.666 286 V HN 0.596 nan 8.190 nan 0.000 0.456 287 A N -0.086 122.905 122.820 0.284 0.000 1.877 287 A HA -0.176 4.138 4.320 -0.009 0.000 0.216 287 A C 2.139 179.946 177.584 0.372 0.000 1.186 287 A CA 2.089 54.361 52.037 0.391 0.000 0.620 287 A CB -0.807 18.409 19.000 0.359 0.000 0.822 287 A HN 0.580 nan 8.150 nan 0.000 0.443 288 L N -0.005 121.370 121.223 0.254 0.000 2.012 288 L HA -0.118 4.217 4.340 -0.009 0.000 0.210 288 L C 2.631 179.594 176.870 0.154 0.000 1.073 288 L CA 2.374 57.322 54.840 0.181 0.000 0.748 288 L CB -0.898 41.253 42.059 0.153 0.000 0.891 288 L HN 0.355 nan 8.230 nan 0.000 0.431 289 A N -0.469 122.455 122.820 0.173 0.000 1.940 289 A HA -0.129 4.186 4.320 -0.009 0.000 0.219 289 A C 2.350 179.934 177.584 -0.001 0.000 1.176 289 A CA 1.749 53.852 52.037 0.110 0.000 0.631 289 A CB -1.636 17.469 19.000 0.175 0.000 0.814 289 A HN 0.567 nan 8.150 nan 0.000 0.446 290 G N -0.577 108.264 108.800 0.068 0.000 2.402 290 G HA2 -0.063 3.891 3.960 -0.009 0.000 0.216 290 G HA3 -0.063 3.891 3.960 -0.009 0.000 0.216 290 G C 1.346 176.314 174.900 0.114 0.000 1.162 290 G CA 1.089 46.119 45.100 -0.118 0.000 0.777 290 G HN 0.343 nan 8.290 nan 0.000 0.539 291 L N 0.000 121.309 121.223 0.143 0.000 2.056 291 L HA 0.082 4.417 4.340 -0.009 0.000 0.207 291 L C 2.729 179.575 176.870 -0.039 0.000 1.078 291 L CA 0.815 55.632 54.840 -0.038 0.000 0.749 291 L CB -0.971 41.036 42.059 -0.087 0.000 0.901 291 L HN 0.085 nan 8.230 nan 0.000 0.433 292 L N -0.659 120.562 121.223 -0.003 0.000 2.083 292 L HA -0.126 4.209 4.340 -0.009 0.000 0.209 292 L C 2.554 179.411 176.870 -0.023 0.000 1.083 292 L CA 1.885 56.724 54.840 -0.001 0.000 0.752 292 L CB -1.381 40.688 42.059 0.016 0.000 0.899 292 L HN 0.251 nan 8.230 nan 0.000 0.433 293 A N -1.036 121.748 122.820 -0.060 0.000 1.897 293 A HA -0.057 4.257 4.320 -0.009 0.000 0.215 293 A C 2.476 180.035 177.584 -0.042 0.000 1.181 293 A CA 1.461 53.452 52.037 -0.078 0.000 0.620 293 A CB -0.821 18.073 19.000 -0.177 0.000 0.821 293 A HN 0.374 nan 8.150 nan 0.000 0.443 294 A N -0.853 121.947 122.820 -0.033 0.000 1.940 294 A HA -0.247 4.067 4.320 -0.009 0.000 0.219 294 A C 2.131 179.706 177.584 -0.015 0.000 1.176 294 A CA 1.789 53.819 52.037 -0.013 0.000 0.631 294 A CB -0.621 18.361 19.000 -0.030 0.000 0.814 294 A HN 0.641 nan 8.150 nan 0.000 0.446 295 Q N -0.370 119.417 119.800 -0.021 0.000 2.077 295 Q HA -0.240 4.094 4.340 -0.009 0.000 0.206 295 Q C 1.991 178.007 176.000 0.026 0.000 0.989 295 Q CA 2.112 57.924 55.803 0.014 0.000 0.853 295 Q CB -0.139 28.618 28.738 0.033 0.000 0.907 295 Q HN 0.703 nan 8.270 nan 0.000 0.418 296 K N -0.362 120.046 120.400 0.014 0.000 2.155 296 K HA -0.101 4.214 4.320 -0.009 0.000 0.203 296 K C 2.097 178.708 176.600 0.018 0.000 1.052 296 K CA 1.376 57.673 56.287 0.016 0.000 0.948 296 K CB -0.039 32.465 32.500 0.007 0.000 0.728 296 K HN 0.249 nan 8.250 nan 0.000 0.448 297 V N -0.232 119.693 119.914 0.019 0.000 2.719 297 V HA -0.045 4.069 4.120 -0.009 0.000 0.252 297 V C 1.665 177.779 176.094 0.033 0.000 1.065 297 V CA 1.164 63.480 62.300 0.028 0.000 1.086 297 V CB -0.611 31.235 31.823 0.039 0.000 0.700 297 V HN 0.339 nan 8.190 nan 0.000 0.467 298 I N -2.790 117.798 120.570 0.031 0.000 4.154 298 I HA 0.432 4.596 4.170 -0.009 0.000 0.334 298 I C 0.908 177.047 176.117 0.036 0.000 1.371 298 I CA 0.099 61.419 61.300 0.033 0.000 1.110 298 I CB 0.146 38.164 38.000 0.029 0.000 1.085 298 I HN 0.126 nan 8.210 nan 0.000 0.398 299 S N 2.133 117.856 115.700 0.039 0.000 3.447 299 S HA -0.213 4.251 4.470 -0.009 0.000 0.371 299 S C 0.192 174.827 174.600 0.058 0.000 0.951 299 S CA 0.782 59.008 58.200 0.044 0.000 1.269 299 S CB -1.539 61.680 63.200 0.031 0.000 0.919 299 S HN 0.670 nan 8.310 nan 0.000 0.516 300 K N 2.065 122.522 120.400 0.096 0.000 2.183 300 K HA 0.327 4.641 4.320 -0.009 0.000 0.274 300 K C -2.277 174.410 176.600 0.145 0.000 1.009 300 K CA -2.165 54.200 56.287 0.130 0.000 0.888 300 K CB 0.795 33.392 32.500 0.162 0.000 1.078 300 K HN 0.053 nan 8.250 nan 0.000 0.459 301 P HA -0.005 nan 4.420 nan 0.000 0.271 301 P C 0.633 177.646 177.300 -0.478 0.000 1.233 301 P CA 0.124 63.144 63.100 -0.133 0.000 0.764 301 P CB 0.688 32.344 31.700 -0.074 0.000 0.825 302 I N 2.737 122.839 120.570 -0.781 0.000 2.502 302 I HA -0.303 3.862 4.170 -0.009 0.000 0.258 302 I C 2.191 177.972 176.117 -0.561 0.000 1.172 302 I CA 1.633 62.154 61.300 -1.298 0.000 1.430 302 I CB 0.021 37.751 38.000 -0.450 0.000 1.086 302 I HN 0.372 nan 8.210 nan 0.000 0.440 303 S N 0.033 115.561 115.700 -0.287 0.000 2.406 303 S HA -0.131 4.334 4.470 -0.009 0.000 0.228 303 S C 1.718 176.284 174.600 -0.056 0.000 1.020 303 S CA 1.063 59.195 58.200 -0.113 0.000 0.965 303 S CB -0.187 62.970 63.200 -0.072 0.000 0.798 303 S HN 0.535 nan 8.310 nan 0.000 0.488 304 E N -0.009 120.150 120.200 -0.068 0.000 2.465 304 E HA 0.067 4.412 4.350 -0.009 0.000 0.191 304 E C -0.502 176.169 176.600 0.117 0.000 1.053 304 E CA -0.147 56.266 56.400 0.021 0.000 0.869 304 E CB 0.113 29.826 29.700 0.022 0.000 0.977 304 E HN 0.694 nan 8.360 nan 0.000 0.483 305 H N 1.195 120.275 119.070 0.017 0.000 2.944 305 H HA 0.118 4.669 4.556 -0.009 0.000 0.278 305 H C -0.042 175.310 175.328 0.039 0.000 1.083 305 H CA -0.193 55.863 56.048 0.014 0.000 1.479 305 H CB 0.540 30.314 29.762 0.020 0.000 1.486 305 H HN -0.197 nan 8.280 nan 0.000 0.493 306 K N 5.032 125.510 120.400 0.130 0.000 2.507 306 K HA 0.321 4.635 4.320 -0.009 0.000 0.253 306 K C -1.434 175.207 176.600 0.069 0.000 0.969 306 K CA -0.377 55.984 56.287 0.123 0.000 0.908 306 K CB 0.286 32.825 32.500 0.064 0.000 1.127 306 K HN 0.480 nan 8.250 nan 0.000 0.437 307 I N 5.054 125.699 120.570 0.124 0.000 2.354 307 I HA 0.361 4.525 4.170 -0.009 0.000 0.292 307 I C -0.944 175.237 176.117 0.107 0.000 0.989 307 I CA -1.336 59.971 61.300 0.012 0.000 1.188 307 I CB 1.441 39.404 38.000 -0.062 0.000 1.342 307 I HN 0.449 nan 8.210 nan 0.000 0.457 308 L N 7.645 128.868 121.223 0.000 0.000 2.343 308 L HA 0.560 4.895 4.340 -0.009 0.000 0.278 308 L C -1.316 175.658 176.870 0.172 0.000 0.996 308 L CA -0.015 54.923 54.840 0.164 0.000 0.831 308 L CB 0.919 43.014 42.059 0.060 0.000 1.232 308 L HN 0.238 nan 8.230 nan 0.000 0.413 309 F N 4.915 125.068 119.950 0.339 0.000 2.394 309 F HA 0.442 4.963 4.527 -0.009 0.000 0.340 309 F C 0.012 176.063 175.800 0.418 0.000 1.105 309 F CA -0.312 57.872 58.000 0.306 0.000 1.124 309 F CB 1.546 40.651 39.000 0.175 0.000 1.145 309 F HN 0.382 nan 8.300 nan 0.000 0.505 310 L N 3.907 125.385 121.223 0.423 0.000 2.287 310 L HA 0.753 5.088 4.340 -0.009 0.000 0.280 310 L C -0.073 176.921 176.870 0.206 0.000 1.055 310 L CA 0.303 55.233 54.840 0.150 0.000 0.863 310 L CB -0.114 41.720 42.059 -0.375 0.000 1.245 310 L HN 0.720 nan 8.230 nan 0.000 0.432 311 G N 3.422 112.391 108.800 0.281 0.000 2.406 311 G HA2 0.429 4.383 3.960 -0.009 0.000 0.680 311 G HA3 0.429 4.383 3.960 -0.009 0.000 0.680 311 G C -0.664 174.335 174.900 0.164 0.000 1.338 311 G CA -0.345 44.863 45.100 0.179 0.000 0.941 311 G HN 1.309 nan 8.290 nan 0.000 0.633 312 A N -0.101 122.772 122.820 0.089 0.000 2.758 312 A HA 0.812 5.126 4.320 -0.009 0.000 0.223 312 A C 0.881 178.471 177.584 0.010 0.000 0.877 312 A CA 1.007 53.061 52.037 0.029 0.000 1.152 312 A CB -0.086 18.954 19.000 0.067 0.000 1.239 312 A HN 2.253 nan 8.150 nan 0.000 0.470 313 G N -0.588 108.234 108.800 0.036 0.000 3.099 313 G HA2 0.424 4.378 3.960 -0.009 0.000 0.151 313 G HA3 0.424 4.378 3.960 -0.009 0.000 0.151 313 G C 0.605 175.632 174.900 0.212 0.000 1.265 313 G CA 0.305 45.466 45.100 0.101 0.000 0.981 313 G HN 0.235 nan 8.290 nan 0.000 0.601 314 E N -0.182 120.170 120.200 0.253 0.000 2.048 314 E HA -0.236 4.109 4.350 -0.009 0.000 0.202 314 E C 2.771 179.383 176.600 0.021 0.000 1.021 314 E CA 1.564 58.019 56.400 0.091 0.000 0.825 314 E CB -0.229 29.427 29.700 -0.074 0.000 0.756 314 E HN 0.363 nan 8.360 nan 0.000 0.454 315 A N 1.235 124.067 122.820 0.020 0.000 1.854 315 A HA -0.029 4.286 4.320 -0.009 0.000 0.214 315 A C 2.399 179.959 177.584 -0.039 0.000 1.192 315 A CA 1.603 53.651 52.037 0.017 0.000 0.611 315 A CB -0.802 18.235 19.000 0.061 0.000 0.832 315 A HN 0.300 nan 8.150 nan 0.000 0.442 316 A N 0.043 122.799 122.820 -0.108 0.000 1.859 316 A HA -0.160 4.155 4.320 -0.009 0.000 0.217 316 A C 2.197 179.417 177.584 -0.606 0.000 1.198 316 A CA 1.783 53.516 52.037 -0.506 0.000 0.629 316 A CB -0.864 17.902 19.000 -0.390 0.000 0.830 316 A HN 0.487 nan 8.150 nan 0.000 0.446 317 L N -0.830 120.243 121.223 -0.250 0.000 2.083 317 L HA -0.132 4.203 4.340 -0.009 0.000 0.209 317 L C 2.851 179.704 176.870 -0.029 0.000 1.083 317 L CA 1.088 55.859 54.840 -0.114 0.000 0.752 317 L CB -0.927 41.186 42.059 0.089 0.000 0.899 317 L HN 0.524 nan 8.230 nan 0.000 0.433 318 G N 0.537 109.338 108.800 0.000 0.000 2.433 318 G HA2 -0.211 3.743 3.960 -0.009 0.000 0.216 318 G HA3 -0.211 3.743 3.960 -0.009 0.000 0.216 318 G C 1.572 176.474 174.900 0.003 0.000 1.186 318 G CA 0.778 45.879 45.100 0.002 0.000 0.779 318 G HN 0.283 nan 8.290 nan 0.000 0.543 319 I N 1.540 122.102 120.570 -0.014 0.000 2.179 319 I HA -0.175 3.989 4.170 -0.009 0.000 0.242 319 I C 3.316 179.479 176.117 0.077 0.000 1.088 319 I CA 1.046 62.400 61.300 0.091 0.000 1.357 319 I CB -0.317 37.835 38.000 0.254 0.000 1.051 319 I HN 0.235 nan 8.210 nan 0.000 0.409 320 A N 0.958 123.675 122.820 -0.172 0.000 1.908 320 A HA -0.230 4.084 4.320 -0.009 0.000 0.218 320 A C 2.146 179.759 177.584 0.049 0.000 1.181 320 A CA 1.962 53.864 52.037 -0.225 0.000 0.627 320 A CB -0.756 17.619 19.000 -1.041 0.000 0.818 320 A HN 0.445 nan 8.150 nan 0.000 0.445 321 N N -0.536 118.235 118.700 0.119 0.000 2.166 321 N HA -0.118 4.617 4.740 -0.009 0.000 0.186 321 N C 1.576 177.195 175.510 0.182 0.000 1.019 321 N CA 1.348 54.541 53.050 0.238 0.000 0.856 321 N CB -0.303 38.316 38.487 0.221 0.000 0.993 321 N HN 0.362 nan 8.380 nan 0.000 0.426 322 L N 1.363 122.673 121.223 0.144 0.000 2.156 322 L HA 0.079 4.413 4.340 -0.009 0.000 0.208 322 L C 2.076 179.033 176.870 0.146 0.000 1.095 322 L CA 0.830 55.754 54.840 0.140 0.000 0.770 322 L CB -0.317 41.822 42.059 0.134 0.000 0.914 322 L HN 0.096 nan 8.230 nan 0.000 0.439 323 I N -2.007 118.659 120.570 0.159 0.000 2.252 323 I HA -0.268 3.896 4.170 -0.009 0.000 0.245 323 I C 2.279 178.498 176.117 0.169 0.000 1.102 323 I CA 0.871 62.267 61.300 0.161 0.000 1.385 323 I CB -0.323 37.786 38.000 0.181 0.000 1.064 323 I HN 0.013 nan 8.210 nan 0.000 0.414 324 V N 0.711 120.744 119.914 0.198 0.000 2.295 324 V HA -0.324 3.791 4.120 -0.009 0.000 0.246 324 V C 2.485 178.666 176.094 0.146 0.000 1.049 324 V CA 1.977 64.395 62.300 0.195 0.000 1.024 324 V CB -0.508 31.462 31.823 0.244 0.000 0.648 324 V HN 0.391 nan 8.190 nan 0.000 0.447 325 M N -0.395 119.289 119.600 0.139 0.000 2.149 325 M HA -0.190 4.284 4.480 -0.009 0.000 0.261 325 M C 2.470 178.829 176.300 0.099 0.000 1.064 325 M CA 2.087 57.454 55.300 0.112 0.000 1.102 325 M CB -0.500 32.167 32.600 0.112 0.000 1.369 325 M HN 0.416 nan 8.290 nan 0.000 0.408 326 S N 0.326 116.089 115.700 0.106 0.000 2.368 326 S HA -0.070 4.394 4.470 -0.009 0.000 0.224 326 S C 1.874 176.530 174.600 0.093 0.000 1.029 326 S CA 1.058 59.315 58.200 0.095 0.000 0.988 326 S CB -0.025 63.235 63.200 0.100 0.000 0.838 326 S HN 0.393 nan 8.310 nan 0.000 0.462 327 M N 0.581 120.246 119.600 0.108 0.000 2.175 327 M HA -0.046 4.428 4.480 -0.009 0.000 0.264 327 M C 2.105 178.449 176.300 0.073 0.000 1.063 327 M CA 1.031 56.389 55.300 0.097 0.000 1.119 327 M CB -0.520 32.149 32.600 0.115 0.000 1.377 327 M HN 0.220 nan 8.290 nan 0.000 0.415 328 V N 0.440 120.400 119.914 0.077 0.000 2.343 328 V HA -0.255 3.860 4.120 -0.009 0.000 0.247 328 V C 2.115 178.242 176.094 0.054 0.000 1.051 328 V CA 2.000 64.337 62.300 0.062 0.000 1.036 328 V CB -0.741 31.122 31.823 0.066 0.000 0.654 328 V HN 0.513 nan 8.190 nan 0.000 0.451 329 E N 0.054 120.290 120.200 0.060 0.000 2.409 329 E HA -0.154 4.190 4.350 -0.009 0.000 0.198 329 E C 1.283 177.911 176.600 0.047 0.000 1.024 329 E CA 0.801 57.233 56.400 0.054 0.000 0.861 329 E CB -0.107 29.628 29.700 0.059 0.000 0.788 329 E HN 0.702 nan 8.360 nan 0.000 0.521 330 N N -1.163 117.565 118.700 0.047 0.000 2.321 330 N HA 0.139 4.874 4.740 -0.009 0.000 0.242 330 N C 0.024 175.550 175.510 0.026 0.000 1.141 330 N CA 0.243 53.315 53.050 0.037 0.000 0.864 330 N CB 1.268 39.781 38.487 0.043 0.000 1.100 330 N HN 0.194 nan 8.380 nan 0.000 0.510 331 G N 0.520 109.336 108.800 0.027 0.000 2.159 331 G HA2 -0.215 3.739 3.960 -0.009 0.000 0.227 331 G HA3 -0.215 3.739 3.960 -0.009 0.000 0.227 331 G C -0.410 174.500 174.900 0.016 0.000 0.986 331 G CA -0.235 44.876 45.100 0.018 0.000 0.651 331 G HN 0.119 nan 8.290 nan 0.000 0.523 332 L N 1.542 122.780 121.223 0.024 0.000 2.330 332 L HA 0.763 5.097 4.340 -0.009 0.000 0.271 332 L C 1.055 177.943 176.870 0.029 0.000 1.013 332 L CA -0.240 54.614 54.840 0.024 0.000 0.816 332 L CB 1.877 43.954 42.059 0.030 0.000 1.287 332 L HN 0.431 nan 8.230 nan 0.000 0.435 333 S N -0.097 115.616 115.700 0.023 0.000 2.601 333 S HA 0.215 4.680 4.470 -0.009 0.000 0.271 333 S C 0.911 175.529 174.600 0.029 0.000 1.305 333 S CA -0.441 57.772 58.200 0.021 0.000 1.022 333 S CB 0.905 64.111 63.200 0.011 0.000 0.940 333 S HN 0.725 nan 8.310 nan 0.000 0.525 334 E N 0.697 120.913 120.200 0.027 0.000 2.086 334 E HA -0.306 4.038 4.350 -0.009 0.000 0.200 334 E C 2.093 178.706 176.600 0.021 0.000 1.012 334 E CA 1.822 58.241 56.400 0.031 0.000 0.812 334 E CB -0.190 29.519 29.700 0.015 0.000 0.743 334 E HN 0.878 nan 8.360 nan 0.000 0.453 335 Q N 0.300 120.101 119.800 0.001 0.000 2.061 335 Q HA -0.240 4.094 4.340 -0.009 0.000 0.204 335 Q C 1.901 177.900 176.000 -0.000 0.000 0.984 335 Q CA 1.838 57.634 55.803 -0.012 0.000 0.846 335 Q CB 0.015 28.741 28.738 -0.021 0.000 0.902 335 Q HN 0.325 nan 8.270 nan 0.000 0.421 336 E N 0.094 120.299 120.200 0.008 0.000 2.058 336 E HA -0.220 4.124 4.350 -0.009 0.000 0.194 336 E C 1.950 178.573 176.600 0.038 0.000 0.997 336 E CA 1.064 57.470 56.400 0.011 0.000 0.801 336 E CB -0.194 29.514 29.700 0.013 0.000 0.746 336 E HN 0.496 nan 8.360 nan 0.000 0.450 337 A N 1.312 124.171 122.820 0.065 0.000 1.877 337 A HA -0.266 4.048 4.320 -0.009 0.000 0.216 337 A C 2.066 179.753 177.584 0.172 0.000 1.186 337 A CA 1.577 53.684 52.037 0.116 0.000 0.620 337 A CB -0.533 18.542 19.000 0.126 0.000 0.822 337 A HN 0.190 nan 8.150 nan 0.000 0.443 338 Q N -0.927 118.972 119.800 0.165 0.000 2.226 338 Q HA -0.161 4.173 4.340 -0.009 0.000 0.204 338 Q C 1.924 178.069 176.000 0.241 0.000 0.975 338 Q CA 1.479 57.435 55.803 0.255 0.000 0.866 338 Q CB -0.155 28.601 28.738 0.029 0.000 0.915 338 Q HN 0.456 nan 8.270 nan 0.000 0.440 339 K N 1.187 121.610 120.400 0.038 0.000 2.283 339 K HA -0.081 4.234 4.320 -0.009 0.000 0.202 339 K C 1.129 177.646 176.600 -0.140 0.000 1.048 339 K CA 1.042 57.180 56.287 -0.248 0.000 0.948 339 K CB 0.227 32.617 32.500 -0.184 0.000 0.742 339 K HN 0.052 nan 8.250 nan 0.000 0.458 340 K N -0.353 120.105 120.400 0.095 0.000 2.444 340 K HA 0.166 4.480 4.320 -0.009 0.000 0.193 340 K C -0.259 176.535 176.600 0.324 0.000 1.024 340 K CA 0.201 56.612 56.287 0.207 0.000 1.077 340 K CB 0.418 33.033 32.500 0.190 0.000 0.833 340 K HN 0.067 nan 8.250 nan 0.000 0.517 341 I N 0.885 121.660 120.570 0.342 0.000 2.362 341 I HA 0.247 4.411 4.170 -0.009 0.000 0.289 341 I C -1.009 175.348 176.117 0.401 0.000 0.994 341 I CA -0.885 60.665 61.300 0.417 0.000 1.158 341 I CB 0.919 39.141 38.000 0.371 0.000 1.315 341 I HN -0.065 nan 8.210 nan 0.000 0.451 342 W N 6.558 128.072 121.300 0.357 0.000 2.706 342 W HA 0.714 5.369 4.660 -0.009 0.000 0.346 342 W C -0.443 176.287 176.519 0.351 0.000 1.071 342 W CA -0.533 57.010 57.345 0.331 0.000 1.206 342 W CB 1.372 30.996 29.460 0.274 0.000 1.413 342 W HN 0.122 nan 8.180 nan 0.000 0.542 343 M N 2.530 122.453 119.600 0.537 0.000 2.457 343 M HA 0.447 4.922 4.480 -0.009 0.000 0.300 343 M C -1.620 174.986 176.300 0.509 0.000 1.141 343 M CA -0.792 54.798 55.300 0.483 0.000 0.901 343 M CB 2.729 35.491 32.600 0.270 0.000 1.687 343 M HN 0.354 nan 8.290 nan 0.000 0.449 344 F N 3.475 123.652 119.950 0.378 0.000 2.610 344 F HA 0.350 4.871 4.527 -0.009 0.000 0.355 344 F C -0.490 175.474 175.800 0.273 0.000 1.140 344 F CA -0.693 57.515 58.000 0.347 0.000 1.037 344 F CB 0.513 39.806 39.000 0.487 0.000 1.287 344 F HN 0.660 nan 8.300 nan 0.000 0.457 345 D N 3.938 124.387 120.400 0.080 0.000 2.507 345 D HA 0.134 4.768 4.640 -0.009 0.000 0.280 345 D C 1.022 177.285 176.300 -0.062 0.000 1.219 345 D CA -0.447 53.599 54.000 0.076 0.000 1.085 345 D CB 0.373 41.230 40.800 0.096 0.000 1.134 345 D HN 0.558 nan 8.370 nan 0.000 0.583 346 K N -1.054 119.278 120.400 -0.114 0.000 2.360 346 K HA -0.171 4.143 4.320 -0.009 0.000 0.201 346 K C 1.173 177.501 176.600 -0.454 0.000 1.046 346 K CA 1.195 57.312 56.287 -0.283 0.000 0.945 346 K CB -0.560 31.693 32.500 -0.411 0.000 0.750 346 K HN 0.414 nan 8.250 nan 0.000 0.464 347 Y N 0.816 121.040 120.300 -0.127 0.000 2.462 347 Y HA 0.246 4.790 4.550 -0.009 0.000 0.261 347 Y C 1.297 177.035 175.900 -0.270 0.000 1.146 347 Y CA 0.212 58.230 58.100 -0.137 0.000 1.283 347 Y CB 1.099 39.505 38.460 -0.090 0.000 1.090 347 Y HN 0.389 nan 8.280 nan 0.000 0.526 348 G N 0.190 108.693 108.800 -0.495 0.000 2.306 348 G HA2 -0.094 3.860 3.960 -0.009 0.000 0.262 348 G HA3 -0.094 3.860 3.960 -0.009 0.000 0.262 348 G C -1.726 172.644 174.900 -0.883 0.000 1.263 348 G CA -1.029 43.438 45.100 -1.056 0.000 1.088 348 G HN -0.015 nan 8.290 nan 0.000 0.489 349 L N 0.994 121.987 121.223 -0.384 0.000 2.410 349 L HA 0.495 4.830 4.340 -0.009 0.000 0.273 349 L C 0.847 177.786 176.870 0.115 0.000 1.152 349 L CA -0.502 54.407 54.840 0.115 0.000 0.855 349 L CB 0.465 42.724 42.059 0.333 0.000 1.129 349 L HN 0.480 nan 8.230 nan 0.000 0.463 350 L N 7.282 128.608 121.223 0.171 0.000 2.515 350 L HA 0.218 4.552 4.340 -0.009 0.000 0.281 350 L C -0.239 176.698 176.870 0.112 0.000 1.131 350 L CA -0.003 54.902 54.840 0.107 0.000 0.905 350 L CB -0.071 42.044 42.059 0.094 0.000 1.246 350 L HN 0.545 nan 8.230 nan 0.000 0.463 351 V N 1.085 121.054 119.914 0.091 0.000 2.876 351 V HA 0.467 4.582 4.120 -0.009 0.000 0.312 351 V C 0.053 176.173 176.094 0.042 0.000 1.085 351 V CA -1.483 60.877 62.300 0.100 0.000 0.945 351 V CB 2.012 33.940 31.823 0.176 0.000 1.017 351 V HN 0.573 nan 8.190 nan 0.000 0.428 352 K N 2.541 122.958 120.400 0.027 0.000 2.491 352 K HA 0.377 4.692 4.320 -0.009 0.000 0.279 352 K C 1.221 177.830 176.600 0.015 0.000 1.026 352 K CA 1.143 57.434 56.287 0.007 0.000 1.070 352 K CB 0.106 32.611 32.500 0.009 0.000 0.887 352 K HN 1.684 nan 8.250 nan 0.000 0.481 353 G N 2.319 111.118 108.800 -0.002 0.000 2.157 353 G HA2 -0.335 3.619 3.960 -0.009 0.000 0.248 353 G HA3 -0.335 3.619 3.960 -0.009 0.000 0.248 353 G C 0.129 175.028 174.900 -0.002 0.000 0.979 353 G CA 0.450 45.549 45.100 -0.002 0.000 0.650 353 G HN 0.741 nan 8.290 nan 0.000 0.529 354 R N -0.025 120.474 120.500 -0.002 0.000 2.707 354 R HA 0.592 4.926 4.340 -0.009 0.000 0.270 354 R C 1.518 177.798 176.300 -0.033 0.000 1.083 354 R CA 0.360 56.457 56.100 -0.005 0.000 1.182 354 R CB 0.571 30.872 30.300 0.002 0.000 1.084 354 R HN 0.171 nan 8.270 nan 0.000 0.528 355 K N 1.709 122.086 120.400 -0.040 0.000 2.025 355 K HA -0.018 4.296 4.320 -0.009 0.000 0.207 355 K C 0.430 176.953 176.600 -0.127 0.000 1.049 355 K CA 1.148 57.395 56.287 -0.067 0.000 0.933 355 K CB -0.218 32.250 32.500 -0.054 0.000 0.714 355 K HN 0.701 nan 8.250 nan 0.000 0.438 356 A N 2.336 125.050 122.820 -0.176 0.000 2.531 356 A HA 0.062 4.376 4.320 -0.009 0.000 0.236 356 A C -0.396 177.052 177.584 -0.225 0.000 1.062 356 A CA -0.184 51.648 52.037 -0.341 0.000 0.760 356 A CB 0.167 18.898 19.000 -0.449 0.000 0.995 356 A HN 0.222 nan 8.150 nan 0.000 0.501 357 K N 0.752 121.004 120.400 -0.248 0.000 2.469 357 K HA 0.154 4.469 4.320 -0.009 0.000 0.274 357 K C -0.314 176.230 176.600 -0.092 0.000 0.983 357 K CA 0.453 56.653 56.287 -0.144 0.000 0.974 357 K CB 0.274 32.695 32.500 -0.131 0.000 0.913 357 K HN 0.505 nan 8.250 nan 0.000 0.493 358 I N 3.313 123.844 120.570 -0.066 0.000 2.529 358 I HA 0.039 4.204 4.170 -0.009 0.000 0.284 358 I C 0.073 176.163 176.117 -0.045 0.000 1.088 358 I CA -1.117 60.156 61.300 -0.046 0.000 1.062 358 I CB 1.446 39.417 38.000 -0.048 0.000 1.218 358 I HN 0.619 nan 8.210 nan 0.000 0.442 359 D N 3.861 124.242 120.400 -0.031 0.000 2.478 359 D HA 0.178 4.812 4.640 -0.009 0.000 0.269 359 D C 1.227 177.492 176.300 -0.059 0.000 1.232 359 D CA -0.314 53.668 54.000 -0.031 0.000 1.059 359 D CB 0.580 41.388 40.800 0.013 0.000 1.104 359 D HN 0.400 nan 8.370 nan 0.000 0.566 360 S N -1.172 114.456 115.700 -0.119 0.000 2.382 360 S HA -0.248 4.216 4.470 -0.009 0.000 0.228 360 S C 2.046 176.510 174.600 -0.227 0.000 1.027 360 S CA 0.813 58.883 58.200 -0.216 0.000 0.991 360 S CB -1.148 61.855 63.200 -0.327 0.000 0.823 360 S HN 0.564 nan 8.310 nan 0.000 0.469 361 Y N 2.202 122.415 120.300 -0.145 0.000 2.242 361 Y HA -0.006 4.539 4.550 -0.009 0.000 0.291 361 Y C 2.929 178.798 175.900 -0.052 0.000 1.137 361 Y CA 1.387 59.409 58.100 -0.129 0.000 1.181 361 Y CB -0.428 37.866 38.460 -0.277 0.000 0.989 361 Y HN 0.376 nan 8.280 nan 0.000 0.527 362 Q N -0.504 119.354 119.800 0.096 0.000 2.269 362 Q HA -0.135 4.199 4.340 -0.009 0.000 0.201 362 Q C 1.881 177.877 176.000 -0.007 0.000 0.946 362 Q CA 0.809 56.676 55.803 0.106 0.000 0.877 362 Q CB 0.006 28.775 28.738 0.051 0.000 0.963 362 Q HN 0.314 nan 8.270 nan 0.000 0.472 363 E N 1.589 121.735 120.200 -0.089 0.000 2.108 363 E HA -0.198 4.147 4.350 -0.009 0.000 0.203 363 E C -0.915 175.531 176.600 -0.257 0.000 1.022 363 E CA 1.833 58.142 56.400 -0.151 0.000 0.823 363 E CB -0.872 28.741 29.700 -0.144 0.000 0.744 363 E HN 0.227 nan 8.360 nan 0.000 0.456 364 P HA -0.103 nan 4.420 nan 0.000 0.223 364 P C 0.206 177.024 177.300 -0.804 0.000 1.144 364 P CA 1.175 63.892 63.100 -0.639 0.000 0.783 364 P CB -0.040 31.132 31.700 -0.881 0.000 0.771 365 F N -2.828 116.991 119.950 -0.219 0.000 2.654 365 F HA 0.203 4.724 4.527 -0.009 0.000 0.303 365 F C 0.490 175.836 175.800 -0.757 0.000 1.099 365 F CA -0.188 57.569 58.000 -0.405 0.000 1.270 365 F CB -0.111 38.794 39.000 -0.158 0.000 1.024 365 F HN -0.376 nan 8.300 nan 0.000 0.548 366 T N 1.789 116.045 114.554 -0.496 0.000 2.832 366 T HA 0.257 4.601 4.350 -0.009 0.000 0.313 366 T C -0.179 174.251 174.700 -0.450 0.000 1.035 366 T CA -0.305 61.565 62.100 -0.383 0.000 0.950 366 T CB -0.004 68.766 68.868 -0.164 0.000 0.984 366 T HN 0.077 nan 8.240 nan 0.000 0.486 367 H N 0.765 119.691 119.070 -0.239 0.000 2.559 367 H HA 0.435 4.985 4.556 -0.009 0.000 0.343 367 H C 0.479 175.767 175.328 -0.066 0.000 1.209 367 H CA -1.071 54.817 56.048 -0.266 0.000 1.287 367 H CB 0.739 30.112 29.762 -0.647 0.000 1.650 367 H HN 0.394 nan 8.280 nan 0.000 0.567 368 S N 0.502 116.280 115.700 0.131 0.000 2.546 368 S HA 0.206 4.670 4.470 -0.009 0.000 0.290 368 S C 0.561 175.300 174.600 0.232 0.000 1.290 368 S CA -0.446 57.836 58.200 0.136 0.000 1.069 368 S CB 0.220 63.484 63.200 0.108 0.000 0.846 368 S HN 0.736 nan 8.310 nan 0.000 0.495 369 A N 5.597 128.533 122.820 0.193 0.000 2.565 369 A HA 0.305 4.619 4.320 -0.009 0.000 0.237 369 A C -1.053 176.658 177.584 0.212 0.000 1.053 369 A CA -0.770 51.399 52.037 0.219 0.000 0.755 369 A CB -0.552 18.530 19.000 0.137 0.000 0.980 369 A HN 0.616 nan 8.150 nan 0.000 0.506 370 P HA 0.179 nan 4.420 nan 0.000 0.286 370 P C 0.315 177.655 177.300 0.067 0.000 1.293 370 P CA -0.244 62.929 63.100 0.121 0.000 0.770 370 P CB 0.464 32.165 31.700 0.001 0.000 1.206 371 E N -0.270 119.949 120.200 0.032 0.000 2.055 371 E HA -0.131 4.213 4.350 -0.009 0.000 0.209 371 E C 0.514 177.126 176.600 0.021 0.000 1.036 371 E CA 1.706 58.119 56.400 0.021 0.000 0.849 371 E CB -0.910 28.790 29.700 0.001 0.000 0.767 371 E HN 0.378 nan 8.360 nan 0.000 0.461 372 S N -0.117 115.589 115.700 0.009 0.000 2.568 372 S HA 0.489 4.953 4.470 -0.009 0.000 0.302 372 S C -0.245 174.371 174.600 0.027 0.000 1.082 372 S CA -0.866 57.343 58.200 0.015 0.000 1.009 372 S CB 1.565 64.765 63.200 0.000 0.000 1.069 372 S HN 0.037 nan 8.310 nan 0.000 0.500 373 I N 3.917 124.514 120.570 0.045 0.000 2.315 373 I HA 0.337 4.501 4.170 -0.009 0.000 0.291 373 I C -1.993 174.172 176.117 0.079 0.000 1.006 373 I CA -2.677 58.666 61.300 0.071 0.000 1.265 373 I CB 0.370 38.415 38.000 0.076 0.000 1.387 373 I HN 0.388 nan 8.210 nan 0.000 0.475 374 P HA 0.227 nan 4.420 nan 0.000 0.275 374 P C -0.263 177.169 177.300 0.220 0.000 1.228 374 P CA -0.154 63.026 63.100 0.133 0.000 0.786 374 P CB 1.918 33.693 31.700 0.126 0.000 0.927 375 D N 0.166 120.672 120.400 0.177 0.000 2.290 375 D HA -0.012 4.622 4.640 -0.009 0.000 0.224 375 D C 1.029 177.530 176.300 0.336 0.000 0.967 375 D CA 1.442 55.562 54.000 0.200 0.000 0.893 375 D CB -0.094 40.778 40.800 0.120 0.000 1.037 375 D HN 0.532 nan 8.370 nan 0.000 0.477 376 T N -2.631 112.059 114.554 0.226 0.000 2.948 376 T HA 0.246 4.590 4.350 -0.009 0.000 0.285 376 T C 0.857 175.459 174.700 -0.162 0.000 1.019 376 T CA -0.803 61.408 62.100 0.185 0.000 1.013 376 T CB 1.353 70.276 68.868 0.093 0.000 1.117 376 T HN -0.125 nan 8.240 nan 0.000 0.533 377 F N 0.583 120.218 119.950 -0.526 0.000 2.216 377 F HA 0.021 4.542 4.527 -0.009 0.000 0.300 377 F C 2.434 177.985 175.800 -0.414 0.000 1.085 377 F CA 1.836 59.324 58.000 -0.854 0.000 1.326 377 F CB -0.243 38.471 39.000 -0.478 0.000 1.027 377 F HN 0.917 nan 8.300 nan 0.000 0.497 378 E N 0.015 120.121 120.200 -0.157 0.000 2.058 378 E HA -0.247 4.097 4.350 -0.009 0.000 0.194 378 E C 1.754 178.215 176.600 -0.231 0.000 0.997 378 E CA 1.757 58.061 56.400 -0.160 0.000 0.801 378 E CB -0.187 29.481 29.700 -0.054 0.000 0.746 378 E HN 0.376 nan 8.360 nan 0.000 0.450 379 D N 0.356 120.647 120.400 -0.183 0.000 2.117 379 D HA -0.157 4.477 4.640 -0.009 0.000 0.197 379 D C 1.867 178.031 176.300 -0.227 0.000 0.987 379 D CA 1.343 55.255 54.000 -0.146 0.000 0.829 379 D CB -0.416 40.354 40.800 -0.050 0.000 0.961 379 D HN 0.319 nan 8.370 nan 0.000 0.460 380 A N 0.795 123.401 122.820 -0.357 0.000 1.908 380 A HA -0.155 4.159 4.320 -0.009 0.000 0.218 380 A C 2.560 179.846 177.584 -0.497 0.000 1.181 380 A CA 1.337 53.118 52.037 -0.426 0.000 0.627 380 A CB -0.766 17.841 19.000 -0.655 0.000 0.818 380 A HN 0.157 nan 8.150 nan 0.000 0.445 381 V N 0.922 120.478 119.914 -0.597 0.000 2.358 381 V HA -0.237 3.877 4.120 -0.009 0.000 0.246 381 V C 2.237 178.145 176.094 -0.310 0.000 1.047 381 V CA 2.070 64.082 62.300 -0.479 0.000 1.035 381 V CB -0.873 30.680 31.823 -0.449 0.000 0.658 381 V HN 0.565 nan 8.190 nan 0.000 0.452 382 N N -0.036 118.512 118.700 -0.253 0.000 2.270 382 N HA 0.006 4.740 4.740 -0.009 0.000 0.181 382 N C 1.763 177.170 175.510 -0.172 0.000 1.016 382 N CA 1.343 54.285 53.050 -0.180 0.000 0.870 382 N CB -0.069 38.336 38.487 -0.137 0.000 0.979 382 N HN 0.444 nan 8.380 nan 0.000 0.431 383 I N 0.112 120.565 120.570 -0.195 0.000 2.333 383 I HA -0.144 4.020 4.170 -0.009 0.000 0.246 383 I C 1.383 177.356 176.117 -0.240 0.000 1.106 383 I CA 0.677 61.868 61.300 -0.182 0.000 1.411 383 I CB 0.050 37.953 38.000 -0.162 0.000 1.082 383 I HN -0.026 nan 8.210 nan 0.000 0.420 384 L N 0.255 121.280 121.223 -0.331 0.000 2.307 384 L HA 0.055 4.389 4.340 -0.009 0.000 0.211 384 L C 0.781 177.474 176.870 -0.296 0.000 1.099 384 L CA 0.774 55.360 54.840 -0.425 0.000 0.816 384 L CB -0.590 41.087 42.059 -0.636 0.000 0.952 384 L HN 0.104 nan 8.230 nan 0.000 0.455 385 K N -0.252 119.999 120.400 -0.248 0.000 3.244 385 K HA -0.144 4.171 4.320 -0.009 0.000 0.270 385 K C -2.232 174.270 176.600 -0.163 0.000 1.016 385 K CA 0.088 56.266 56.287 -0.183 0.000 0.754 385 K CB -1.576 30.843 32.500 -0.135 0.000 1.326 385 K HN 0.284 nan 8.250 nan 0.000 0.465 386 P HA -0.011 nan 4.420 nan 0.000 0.272 386 P C 0.508 177.738 177.300 -0.118 0.000 1.223 386 P CA 0.024 63.040 63.100 -0.139 0.000 0.784 386 P CB 1.356 32.960 31.700 -0.161 0.000 0.923 387 S N -0.245 115.403 115.700 -0.087 0.000 2.503 387 S HA 0.116 4.580 4.470 -0.009 0.000 0.215 387 S C 0.599 175.122 174.600 -0.129 0.000 1.003 387 S CA 0.211 58.359 58.200 -0.087 0.000 0.910 387 S CB -0.310 62.864 63.200 -0.044 0.000 0.790 387 S HN 0.496 nan 8.310 nan 0.000 0.514 388 T N 2.075 116.535 114.554 -0.157 0.000 2.881 388 T HA 0.663 5.007 4.350 -0.009 0.000 0.290 388 T C -1.578 172.991 174.700 -0.218 0.000 1.000 388 T CA -0.334 61.630 62.100 -0.228 0.000 0.978 388 T CB 1.776 70.458 68.868 -0.310 0.000 0.997 388 T HN 0.155 nan 8.240 nan 0.000 0.443 389 I N 3.388 123.832 120.570 -0.210 0.000 2.418 389 I HA 0.538 4.702 4.170 -0.009 0.000 0.287 389 I C -1.135 174.973 176.117 -0.014 0.000 1.008 389 I CA -0.762 60.465 61.300 -0.121 0.000 1.104 389 I CB 1.172 39.032 38.000 -0.234 0.000 1.264 389 I HN 0.601 nan 8.210 nan 0.000 0.438 390 I N 6.953 127.538 120.570 0.024 0.000 2.382 390 I HA 0.430 4.595 4.170 -0.009 0.000 0.285 390 I C 0.508 176.826 176.117 0.336 0.000 1.007 390 I CA -0.547 60.828 61.300 0.125 0.000 1.142 390 I CB 1.587 39.431 38.000 -0.260 0.000 1.289 390 I HN 0.662 nan 8.210 nan 0.000 0.453 391 G N 4.794 113.780 108.800 0.311 0.000 2.338 391 G HA2 0.428 4.382 3.960 -0.009 0.000 0.295 391 G HA3 0.428 4.382 3.960 -0.009 0.000 0.295 391 G C -0.326 174.536 174.900 -0.063 0.000 1.132 391 G CA -0.130 44.849 45.100 -0.202 0.000 0.922 391 G HN 0.437 nan 8.290 nan 0.000 0.427 392 V N 2.444 122.360 119.914 0.002 0.000 3.214 392 V HA 0.488 4.602 4.120 -0.009 0.000 0.433 392 V C 0.780 176.887 176.094 0.023 0.000 1.469 392 V CA 0.346 62.675 62.300 0.048 0.000 1.825 392 V CB 0.389 32.311 31.823 0.165 0.000 1.245 392 V HN 0.920 nan 8.190 nan 0.000 0.637 393 A N 0.643 123.437 122.820 -0.043 0.000 2.390 393 A HA 0.573 4.888 4.320 -0.009 0.000 0.232 393 A C 1.755 179.317 177.584 -0.037 0.000 1.233 393 A CA 0.540 52.560 52.037 -0.027 0.000 0.907 393 A CB -0.015 18.958 19.000 -0.044 0.000 0.967 393 A HN 1.756 nan 8.150 nan 0.000 0.512 394 G N -0.738 108.033 108.800 -0.049 0.000 2.416 394 G HA2 -0.022 3.932 3.960 -0.009 0.000 0.301 394 G HA3 -0.022 3.932 3.960 -0.009 0.000 0.301 394 G C 0.645 175.518 174.900 -0.045 0.000 0.985 394 G CA 0.537 45.611 45.100 -0.043 0.000 0.934 394 G HN 1.611 nan 8.290 nan 0.000 0.513 395 A N -0.813 121.971 122.820 -0.060 0.000 2.610 395 A HA 0.769 5.083 4.320 -0.009 0.000 0.291 395 A C 1.557 179.111 177.584 -0.050 0.000 1.116 395 A CA 1.192 53.199 52.037 -0.049 0.000 0.963 395 A CB 0.102 19.076 19.000 -0.043 0.000 1.220 395 A HN 2.539 nan 8.150 nan 0.000 0.530 396 G N -0.051 108.716 108.800 -0.056 0.000 2.582 396 G HA2 -0.121 3.833 3.960 -0.009 0.000 0.222 396 G HA3 -0.121 3.833 3.960 -0.009 0.000 0.222 396 G C -0.390 174.473 174.900 -0.061 0.000 1.311 396 G CA -0.890 44.185 45.100 -0.041 0.000 0.915 396 G HN 0.305 nan 8.290 nan 0.000 0.528 397 R N 0.860 121.344 120.500 -0.027 0.000 4.874 397 R HA 0.093 4.427 4.340 -0.009 0.000 0.173 397 R C 1.662 177.956 176.300 -0.011 0.000 2.034 397 R CA -0.255 55.835 56.100 -0.017 0.000 1.630 397 R CB -0.920 29.389 30.300 0.014 0.000 1.372 397 R HN 0.383 nan 8.270 nan 0.000 0.843 398 L N -0.187 120.993 121.223 -0.073 0.000 2.376 398 L HA 0.038 4.372 4.340 -0.009 0.000 0.219 398 L C 0.944 177.907 176.870 0.155 0.000 1.133 398 L CA 1.020 55.846 54.840 -0.022 0.000 0.816 398 L CB -0.504 41.481 42.059 -0.122 0.000 0.933 398 L HN 0.278 nan 8.230 nan 0.000 0.449 399 F N 1.708 121.623 119.950 -0.059 0.000 2.541 399 F HA 0.081 4.602 4.527 -0.009 0.000 0.351 399 F C 1.235 177.028 175.800 -0.011 0.000 1.209 399 F CA -0.936 57.050 58.000 -0.024 0.000 1.277 399 F CB 0.206 39.201 39.000 -0.008 0.000 1.632 399 F HN 0.043 nan 8.300 nan 0.000 0.619 400 T N -0.762 113.897 114.554 0.175 0.000 2.802 400 T HA 0.051 4.395 4.350 -0.009 0.000 0.305 400 T C -1.730 172.995 174.700 0.042 0.000 1.053 400 T CA -1.401 60.749 62.100 0.083 0.000 1.058 400 T CB 1.111 70.018 68.868 0.065 0.000 0.988 400 T HN 0.130 nan 8.240 nan 0.000 0.539 401 P HA -0.085 nan 4.420 nan 0.000 0.216 401 P C 1.145 178.430 177.300 -0.025 0.000 1.150 401 P CA 1.031 64.121 63.100 -0.018 0.000 0.843 401 P CB 0.012 31.700 31.700 -0.020 0.000 0.787 402 D N -1.195 119.197 120.400 -0.013 0.000 2.183 402 D HA -0.077 4.558 4.640 -0.009 0.000 0.203 402 D C 2.002 178.279 176.300 -0.037 0.000 0.969 402 D CA 0.886 54.872 54.000 -0.025 0.000 0.842 402 D CB -0.503 40.287 40.800 -0.016 0.000 0.957 402 D HN 0.002 nan 8.370 nan 0.000 0.484 403 V N 1.471 121.375 119.914 -0.017 0.000 2.358 403 V HA -0.204 3.910 4.120 -0.009 0.000 0.246 403 V C 2.518 178.554 176.094 -0.096 0.000 1.047 403 V CA 1.070 63.348 62.300 -0.037 0.000 1.035 403 V CB -0.291 31.563 31.823 0.052 0.000 0.658 403 V HN 0.176 nan 8.190 nan 0.000 0.452 404 I N -0.488 120.033 120.570 -0.082 0.000 2.226 404 I HA -0.235 3.930 4.170 -0.009 0.000 0.245 404 I C 2.711 178.766 176.117 -0.103 0.000 1.100 404 I CA 1.530 62.764 61.300 -0.110 0.000 1.374 404 I CB -0.482 37.459 38.000 -0.098 0.000 1.057 404 I HN 0.220 nan 8.210 nan 0.000 0.413 405 R N 0.869 121.319 120.500 -0.082 0.000 2.092 405 R HA -0.081 4.254 4.340 -0.009 0.000 0.231 405 R C 2.506 178.758 176.300 -0.080 0.000 1.119 405 R CA 1.345 57.401 56.100 -0.074 0.000 0.970 405 R CB -0.435 29.830 30.300 -0.058 0.000 0.864 405 R HN 0.357 nan 8.270 nan 0.000 0.440 406 A N 1.114 123.880 122.820 -0.090 0.000 1.902 406 A HA -0.158 4.156 4.320 -0.009 0.000 0.217 406 A C 2.119 179.634 177.584 -0.115 0.000 1.181 406 A CA 1.259 53.234 52.037 -0.103 0.000 0.623 406 A CB -0.287 18.640 19.000 -0.122 0.000 0.818 406 A HN 0.106 nan 8.150 nan 0.000 0.443 407 M N -0.492 119.030 119.600 -0.130 0.000 2.213 407 M HA -0.083 4.392 4.480 -0.009 0.000 0.263 407 M C 2.390 178.629 176.300 -0.102 0.000 1.062 407 M CA 1.507 56.727 55.300 -0.133 0.000 1.105 407 M CB -1.375 31.131 32.600 -0.157 0.000 1.385 407 M HN 0.500 nan 8.290 nan 0.000 0.417 408 A N -1.394 121.371 122.820 -0.091 0.000 2.016 408 A HA -0.053 4.261 4.320 -0.009 0.000 0.217 408 A C 2.443 179.991 177.584 -0.060 0.000 1.162 408 A CA 1.771 53.765 52.037 -0.072 0.000 0.662 408 A CB -0.534 18.423 19.000 -0.072 0.000 0.812 408 A HN 0.461 nan 8.150 nan 0.000 0.450 409 S N -0.722 114.940 115.700 -0.064 0.000 2.425 409 S HA 0.059 4.523 4.470 -0.009 0.000 0.225 409 S C 1.773 176.340 174.600 -0.057 0.000 1.024 409 S CA 0.822 58.989 58.200 -0.055 0.000 0.951 409 S CB -0.356 62.810 63.200 -0.057 0.000 0.796 409 S HN 0.489 nan 8.310 nan 0.000 0.498 410 I N 1.273 121.801 120.570 -0.070 0.000 2.584 410 I HA 0.064 4.228 4.170 -0.009 0.000 0.255 410 I C 0.162 176.243 176.117 -0.060 0.000 1.145 410 I CA 0.432 61.689 61.300 -0.071 0.000 1.462 410 I CB -0.010 37.934 38.000 -0.094 0.000 1.102 410 I HN 0.219 nan 8.210 nan 0.000 0.433 411 N N 0.549 119.213 118.700 -0.060 0.000 2.269 411 N HA 0.094 4.828 4.740 -0.009 0.000 0.304 411 N C 0.473 175.962 175.510 -0.035 0.000 1.072 411 N CA -0.264 52.758 53.050 -0.047 0.000 0.802 411 N CB 2.356 40.809 38.487 -0.057 0.000 1.348 411 N HN -0.092 nan 8.380 nan 0.000 0.484 412 E N 1.295 121.482 120.200 -0.022 0.000 2.072 412 E HA -0.045 4.300 4.350 -0.009 0.000 0.191 412 E C -0.271 176.326 176.600 -0.005 0.000 0.985 412 E CA 1.606 57.999 56.400 -0.011 0.000 0.801 412 E CB 0.366 30.066 29.700 -0.002 0.000 0.750 412 E HN 0.307 nan 8.360 nan 0.000 0.452 413 R N 1.230 121.727 120.500 -0.005 0.000 2.585 413 R HA 0.319 4.653 4.340 -0.009 0.000 0.278 413 R C -2.476 173.815 176.300 -0.014 0.000 1.663 413 R CA -2.145 53.958 56.100 0.004 0.000 1.592 413 R CB 0.791 31.105 30.300 0.023 0.000 1.200 413 R HN 0.238 nan 8.270 nan 0.000 0.611 414 P HA 0.088 nan 4.420 nan 0.000 0.271 414 P C -0.118 177.157 177.300 -0.042 0.000 1.216 414 P CA -0.188 62.878 63.100 -0.056 0.000 0.776 414 P CB 1.363 33.018 31.700 -0.075 0.000 0.881 415 V N 5.344 125.206 119.914 -0.086 0.000 2.350 415 V HA 0.319 4.433 4.120 -0.009 0.000 0.276 415 V C 0.563 176.603 176.094 -0.090 0.000 1.028 415 V CA -0.333 61.906 62.300 -0.101 0.000 0.860 415 V CB 0.618 32.285 31.823 -0.260 0.000 0.990 415 V HN 0.392 nan 8.190 nan 0.000 0.453 416 I N 5.697 126.332 120.570 0.109 0.000 2.410 416 I HA 0.461 4.625 4.170 -0.009 0.000 0.286 416 I C -1.175 175.271 176.117 0.548 0.000 1.009 416 I CA -0.287 61.151 61.300 0.231 0.000 1.111 416 I CB 1.623 39.759 38.000 0.226 0.000 1.262 416 I HN 0.345 nan 8.210 nan 0.000 0.443 417 F N 4.693 124.728 119.950 0.141 0.000 2.427 417 F HA 0.566 5.087 4.527 -0.009 0.000 0.348 417 F C 0.430 176.324 175.800 0.157 0.000 1.125 417 F CA -1.550 56.467 58.000 0.028 0.000 0.989 417 F CB 1.960 40.973 39.000 0.021 0.000 1.165 417 F HN 0.420 nan 8.300 nan 0.000 0.442 418 A N 5.734 128.638 122.820 0.140 0.000 2.654 418 A HA 0.543 4.857 4.320 -0.009 0.000 0.345 418 A C 0.419 178.003 177.584 0.001 0.000 1.368 418 A CA -0.305 51.772 52.037 0.068 0.000 0.895 418 A CB -0.279 18.862 19.000 0.235 0.000 1.143 418 A HN 0.824 nan 8.150 nan 0.000 0.490 419 L N 0.715 121.939 121.223 0.002 0.000 2.558 419 L HA 0.069 4.403 4.340 -0.009 0.000 0.225 419 L C 0.810 177.674 176.870 -0.009 0.000 1.128 419 L CA 0.131 54.971 54.840 -0.000 0.000 0.868 419 L CB -0.147 41.947 42.059 0.058 0.000 1.006 419 L HN 0.488 nan 8.230 nan 0.000 0.454 420 S N 1.183 116.865 115.700 -0.031 0.000 2.549 420 S HA 0.182 4.646 4.470 -0.009 0.000 0.283 420 S C 0.126 174.703 174.600 -0.039 0.000 1.320 420 S CA -0.323 57.855 58.200 -0.038 0.000 1.058 420 S CB 0.364 63.526 63.200 -0.062 0.000 0.882 420 S HN 0.261 nan 8.310 nan 0.000 0.498 421 N N 3.230 121.899 118.700 -0.053 0.000 2.362 421 N HA 0.522 5.256 4.740 -0.009 0.000 0.299 421 N C -2.586 172.877 175.510 -0.078 0.000 1.170 421 N CA -1.560 51.441 53.050 -0.081 0.000 0.825 421 N CB 1.429 39.845 38.487 -0.119 0.000 1.299 421 N HN 0.290 nan 8.380 nan 0.000 0.502 422 P HA 0.155 nan 4.420 nan 0.000 0.307 422 P C 0.543 177.793 177.300 -0.084 0.000 1.306 422 P CA -0.022 63.014 63.100 -0.107 0.000 0.742 422 P CB 0.370 32.006 31.700 -0.105 0.000 1.349 423 T N 0.240 114.730 114.554 -0.106 0.000 2.624 423 T HA -0.240 4.105 4.350 -0.009 0.000 0.268 423 T C 1.925 176.633 174.700 0.013 0.000 1.041 423 T CA 2.654 64.702 62.100 -0.088 0.000 1.159 423 T CB -1.313 67.473 68.868 -0.136 0.000 0.863 423 T HN 0.537 nan 8.240 nan 0.000 0.434 424 A N 0.496 123.317 122.820 0.000 0.000 2.125 424 A HA -0.098 4.217 4.320 -0.009 0.000 0.219 424 A C 2.172 179.762 177.584 0.011 0.000 1.156 424 A CA 1.411 53.459 52.037 0.018 0.000 0.671 424 A CB -0.493 18.508 19.000 0.002 0.000 0.794 424 A HN 0.386 nan 8.150 nan 0.000 0.459 425 Q N -0.779 119.017 119.800 -0.006 0.000 2.392 425 Q HA 0.440 4.775 4.340 -0.009 0.000 0.203 425 Q C 0.774 176.760 176.000 -0.022 0.000 0.917 425 Q CA 0.533 56.323 55.803 -0.021 0.000 0.939 425 Q CB -0.199 28.517 28.738 -0.036 0.000 1.063 425 Q HN 0.591 nan 8.270 nan 0.000 0.516 426 A N 0.467 123.300 122.820 0.022 0.000 2.520 426 A HA 0.009 4.323 4.320 -0.009 0.000 0.235 426 A C 0.747 178.321 177.584 -0.017 0.000 1.065 426 A CA -0.037 52.029 52.037 0.048 0.000 0.764 426 A CB 0.332 19.467 19.000 0.226 0.000 1.002 426 A HN 0.253 nan 8.150 nan 0.000 0.502 427 E N -0.307 119.807 120.200 -0.143 0.000 2.204 427 E HA -0.001 4.344 4.350 -0.009 0.000 0.195 427 E C 0.604 177.159 176.600 -0.074 0.000 0.990 427 E CA 1.571 57.770 56.400 -0.334 0.000 0.821 427 E CB -0.419 28.615 29.700 -1.110 0.000 0.750 427 E HN 0.936 nan 8.360 nan 0.000 0.477 428 C N -3.204 116.137 119.300 0.068 0.000 3.231 428 C HA 0.600 5.055 4.460 -0.009 0.000 0.343 428 C C -0.047 174.934 174.990 -0.014 0.000 1.349 428 C CA -0.766 58.290 59.018 0.063 0.000 1.209 428 C CB 0.883 28.686 27.740 0.105 0.000 1.475 428 C HN 0.240 nan 8.230 nan 0.000 0.460 429 T N -0.527 113.858 114.554 -0.283 0.000 2.902 429 T HA 0.649 4.993 4.350 -0.009 0.000 0.280 429 T C 1.199 175.258 174.700 -1.069 0.000 0.992 429 T CA 0.188 61.769 62.100 -0.865 0.000 1.015 429 T CB 1.439 69.959 68.868 -0.581 0.000 1.044 429 T HN 2.130 nan 8.240 nan 0.000 0.520 430 A N 0.179 122.174 122.820 -1.375 0.000 1.933 430 A HA -0.053 4.262 4.320 -0.009 0.000 0.218 430 A C 2.262 179.476 177.584 -0.617 0.000 1.175 430 A CA 1.799 53.206 52.037 -1.050 0.000 0.628 430 A CB -1.124 17.766 19.000 -0.184 0.000 0.814 430 A HN 1.047 nan 8.150 nan 0.000 0.444 431 E N -0.015 119.955 120.200 -0.383 0.000 2.058 431 E HA -0.254 4.091 4.350 -0.009 0.000 0.194 431 E C 1.899 178.361 176.600 -0.231 0.000 0.997 431 E CA 1.568 57.864 56.400 -0.174 0.000 0.801 431 E CB -0.163 29.473 29.700 -0.107 0.000 0.746 431 E HN 0.753 nan 8.360 nan 0.000 0.450 432 E N 0.203 120.216 120.200 -0.311 0.000 2.038 432 E HA -0.234 4.111 4.350 -0.009 0.000 0.195 432 E C 2.077 178.482 176.600 -0.325 0.000 1.000 432 E CA 1.069 57.314 56.400 -0.259 0.000 0.803 432 E CB -0.214 29.350 29.700 -0.226 0.000 0.750 432 E HN 0.371 nan 8.360 nan 0.000 0.448 433 A N 0.767 123.250 122.820 -0.563 0.000 1.851 433 A HA -0.217 4.097 4.320 -0.009 0.000 0.216 433 A C 2.005 179.272 177.584 -0.528 0.000 1.195 433 A CA 1.571 53.220 52.037 -0.647 0.000 0.622 433 A CB -1.103 17.155 19.000 -1.237 0.000 0.831 433 A HN 0.325 nan 8.150 nan 0.000 0.444 434 Y N 0.683 120.736 120.300 -0.412 0.000 2.200 434 Y HA -0.206 4.338 4.550 -0.009 0.000 0.290 434 Y C 3.225 178.930 175.900 -0.325 0.000 1.137 434 Y CA 1.703 59.548 58.100 -0.425 0.000 1.163 434 Y CB -0.562 37.613 38.460 -0.476 0.000 0.988 434 Y HN 0.552 nan 8.280 nan 0.000 0.518 435 T N -1.779 112.723 114.554 -0.085 0.000 2.770 435 T HA -0.142 4.203 4.350 -0.009 0.000 0.263 435 T C 1.696 176.346 174.700 -0.082 0.000 1.039 435 T CA 1.011 63.071 62.100 -0.068 0.000 1.142 435 T CB -0.638 68.200 68.868 -0.050 0.000 0.868 435 T HN 0.061 nan 8.240 nan 0.000 0.435 436 L N 2.656 123.814 121.223 -0.108 0.000 2.362 436 L HA 0.126 4.461 4.340 -0.009 0.000 0.219 436 L C 2.584 179.397 176.870 -0.094 0.000 1.134 436 L CA 1.800 56.583 54.840 -0.095 0.000 0.807 436 L CB -1.273 40.725 42.059 -0.103 0.000 0.927 436 L HN 0.730 nan 8.230 nan 0.000 0.447 437 T N -5.330 109.155 114.554 -0.115 0.000 3.092 437 T HA 0.172 4.516 4.350 -0.009 0.000 0.258 437 T C 0.598 175.249 174.700 -0.082 0.000 1.031 437 T CA -0.208 61.832 62.100 -0.099 0.000 0.925 437 T CB -0.173 68.625 68.868 -0.116 0.000 1.036 437 T HN 0.313 nan 8.240 nan 0.000 0.544 438 E N 0.648 120.800 120.200 -0.079 0.000 2.389 438 E HA -0.193 4.151 4.350 -0.009 0.000 0.243 438 E C 0.980 177.534 176.600 -0.076 0.000 1.154 438 E CA 0.418 56.786 56.400 -0.054 0.000 0.723 438 E CB -1.847 27.839 29.700 -0.023 0.000 1.261 438 E HN 0.943 nan 8.360 nan 0.000 0.390 439 G N -0.265 108.406 108.800 -0.215 0.000 2.168 439 G HA2 -0.409 3.545 3.960 -0.009 0.000 0.257 439 G HA3 -0.409 3.545 3.960 -0.009 0.000 0.257 439 G C 0.696 175.491 174.900 -0.175 0.000 0.997 439 G CA 0.721 45.519 45.100 -0.503 0.000 0.708 439 G HN 0.422 nan 8.290 nan 0.000 0.520 440 R N -0.618 119.843 120.500 -0.066 0.000 2.290 440 R HA 0.210 4.545 4.340 -0.009 0.000 0.197 440 R C 2.010 178.325 176.300 0.026 0.000 0.913 440 R CA 0.655 56.761 56.100 0.011 0.000 1.040 440 R CB -0.040 30.261 30.300 0.002 0.000 0.992 440 R HN 0.781 nan 8.270 nan 0.000 0.500 441 C N 0.094 119.393 119.300 -0.003 0.000 2.595 441 C HA 0.479 4.933 4.460 -0.009 0.000 0.384 441 C C 0.454 175.524 174.990 0.134 0.000 1.289 441 C CA -1.214 57.816 59.018 0.019 0.000 2.372 441 C CB -0.049 27.651 27.740 -0.067 0.000 2.593 441 C HN 0.209 nan 8.230 nan 0.000 0.639 442 L N 2.910 124.224 121.223 0.153 0.000 2.276 442 L HA 0.492 4.826 4.340 -0.009 0.000 0.286 442 L C -0.332 176.729 176.870 0.319 0.000 1.024 442 L CA -0.061 54.924 54.840 0.241 0.000 0.826 442 L CB 0.596 42.756 42.059 0.169 0.000 1.211 442 L HN 0.774 nan 8.230 nan 0.000 0.422 443 F N 3.484 123.516 119.950 0.138 0.000 2.522 443 F HA 0.834 5.356 4.527 -0.009 0.000 0.324 443 F C -0.354 175.509 175.800 0.104 0.000 1.077 443 F CA -0.519 57.519 58.000 0.064 0.000 0.944 443 F CB 1.742 40.528 39.000 -0.356 0.000 1.175 443 F HN 0.423 nan 8.300 nan 0.000 0.468 444 A N 2.844 125.054 122.820 -1.016 0.000 2.574 444 A HA 0.753 5.067 4.320 -0.009 0.000 0.297 444 A C -1.386 175.527 177.584 -1.117 0.000 1.062 444 A CA -0.155 51.344 52.037 -0.898 0.000 0.686 444 A CB 1.368 19.780 19.000 -0.980 0.000 1.285 444 A HN 1.141 nan 8.150 nan 0.000 0.403 445 S N -0.181 115.196 115.700 -0.538 0.000 2.627 445 S HA 0.717 5.181 4.470 -0.009 0.000 0.283 445 S C 0.802 175.335 174.600 -0.112 0.000 1.127 445 S CA -0.031 58.031 58.200 -0.231 0.000 0.863 445 S CB 1.339 64.667 63.200 0.214 0.000 1.121 445 S HN 1.777 nan 8.310 nan 0.000 0.479 446 G N 0.668 109.435 108.800 -0.056 0.000 2.396 446 G HA2 0.191 4.146 3.960 -0.009 0.000 0.214 446 G HA3 0.191 4.146 3.960 -0.009 0.000 0.214 446 G C 0.353 175.215 174.900 -0.064 0.000 1.166 446 G CA 0.219 45.288 45.100 -0.051 0.000 0.793 446 G HN 0.702 nan 8.290 nan 0.000 0.533 447 S N 1.602 117.242 115.700 -0.100 0.000 2.578 447 S HA 0.490 4.954 4.470 -0.009 0.000 0.283 447 S C -2.476 171.941 174.600 -0.305 0.000 1.195 447 S CA -0.977 57.097 58.200 -0.209 0.000 1.050 447 S CB 2.162 65.195 63.200 -0.277 0.000 1.012 447 S HN 0.112 nan 8.310 nan 0.000 0.511 448 P HA 0.257 nan 4.420 nan 0.000 0.271 448 P C -1.258 175.824 177.300 -0.362 0.000 1.220 448 P CA 0.047 63.039 63.100 -0.181 0.000 0.768 448 P CB 0.137 31.798 31.700 -0.065 0.000 0.848 449 F N 1.040 121.075 119.950 0.142 0.000 2.565 449 F HA 0.503 5.025 4.527 -0.009 0.000 0.313 449 F C 1.249 177.141 175.800 0.153 0.000 1.091 449 F CA -0.632 57.460 58.000 0.154 0.000 0.915 449 F CB 2.104 41.233 39.000 0.215 0.000 1.208 449 F HN 0.306 nan 8.300 nan 0.000 0.453 450 G N 1.711 110.705 108.800 0.324 0.000 2.616 450 G HA2 0.488 4.443 3.960 -0.009 0.000 0.268 450 G HA3 0.488 4.443 3.960 -0.009 0.000 0.268 450 G C -2.772 172.266 174.900 0.231 0.000 1.213 450 G CA -1.345 43.888 45.100 0.222 0.000 0.926 450 G HN 0.297 nan 8.290 nan 0.000 0.523 451 P HA 0.259 nan 4.420 nan 0.000 0.269 451 P C -0.571 176.807 177.300 0.131 0.000 1.215 451 P CA -0.263 62.922 63.100 0.141 0.000 0.780 451 P CB 1.068 32.817 31.700 0.082 0.000 0.898 452 V N 2.721 122.708 119.914 0.121 0.000 2.495 452 V HA 0.375 4.489 4.120 -0.009 0.000 0.298 452 V C 0.096 176.256 176.094 0.110 0.000 1.031 452 V CA -0.514 61.858 62.300 0.121 0.000 0.871 452 V CB 1.538 33.471 31.823 0.182 0.000 0.988 452 V HN 0.415 nan 8.190 nan 0.000 0.432 453 K N 4.911 125.365 120.400 0.090 0.000 2.274 453 K HA 0.656 4.971 4.320 -0.009 0.000 0.262 453 K C -0.858 175.799 176.600 0.094 0.000 0.961 453 K CA -0.600 55.735 56.287 0.080 0.000 0.833 453 K CB 1.190 33.713 32.500 0.038 0.000 1.102 453 K HN 0.605 nan 8.250 nan 0.000 0.436 454 L N 2.218 123.521 121.223 0.133 0.000 2.479 454 L HA 0.199 4.534 4.340 -0.009 0.000 0.249 454 L C 1.941 178.851 176.870 0.066 0.000 1.178 454 L CA -0.439 54.465 54.840 0.107 0.000 0.811 454 L CB 0.946 43.099 42.059 0.157 0.000 1.187 454 L HN 0.854 nan 8.230 nan 0.000 0.480 455 T N -3.413 111.170 114.554 0.048 0.000 2.929 455 T HA -0.139 4.206 4.350 -0.009 0.000 0.271 455 T C 0.924 175.642 174.700 0.031 0.000 1.085 455 T CA 1.129 63.249 62.100 0.033 0.000 1.125 455 T CB -0.544 68.338 68.868 0.023 0.000 0.874 455 T HN 0.750 nan 8.240 nan 0.000 0.494 456 D N 0.776 121.201 120.400 0.042 0.000 2.349 456 D HA 0.288 4.922 4.640 -0.009 0.000 0.224 456 D C 1.683 177.997 176.300 0.024 0.000 1.029 456 D CA 0.552 54.573 54.000 0.034 0.000 0.879 456 D CB -0.717 40.111 40.800 0.045 0.000 0.906 456 D HN 0.558 nan 8.370 nan 0.000 0.528 457 G N 0.086 108.902 108.800 0.026 0.000 2.195 457 G HA2 -0.335 3.620 3.960 -0.009 0.000 0.246 457 G HA3 -0.335 3.620 3.960 -0.009 0.000 0.246 457 G C 0.281 175.169 174.900 -0.021 0.000 0.984 457 G CA -0.189 44.914 45.100 0.005 0.000 0.633 457 G HN 0.429 nan 8.290 nan 0.000 0.525 458 R N 0.068 120.560 120.500 -0.013 0.000 2.537 458 R HA 0.458 4.793 4.340 -0.009 0.000 0.280 458 R C 0.081 176.258 176.300 -0.204 0.000 1.058 458 R CA 0.021 56.039 56.100 -0.137 0.000 1.057 458 R CB 1.158 31.399 30.300 -0.098 0.000 0.973 458 R HN 0.109 nan 8.270 nan 0.000 0.438 459 V N 4.726 124.408 119.914 -0.388 0.000 2.435 459 V HA 0.392 4.506 4.120 -0.009 0.000 0.290 459 V C -0.628 175.088 176.094 -0.630 0.000 1.030 459 V CA -0.508 61.605 62.300 -0.313 0.000 0.881 459 V CB 1.037 32.756 31.823 -0.172 0.000 0.983 459 V HN 0.504 nan 8.190 nan 0.000 0.445 460 F N 1.554 121.338 119.950 -0.277 0.000 2.482 460 F HA 0.501 5.022 4.527 -0.009 0.000 0.331 460 F C 0.600 176.241 175.800 -0.266 0.000 1.115 460 F CA -0.526 57.200 58.000 -0.457 0.000 0.955 460 F CB 2.126 40.377 39.000 -1.247 0.000 1.136 460 F HN 0.290 nan 8.300 nan 0.000 0.452 461 T N 5.323 119.899 114.554 0.037 0.000 2.801 461 T HA 0.290 4.634 4.350 -0.009 0.000 0.306 461 T C -2.514 172.360 174.700 0.290 0.000 1.020 461 T CA -1.379 60.809 62.100 0.147 0.000 0.948 461 T CB 0.615 69.544 68.868 0.101 0.000 0.962 461 T HN 0.223 nan 8.240 nan 0.000 0.465 462 P HA 0.272 nan 4.420 nan 0.000 0.276 462 P C 0.256 177.772 177.300 0.360 0.000 1.230 462 P CA -0.223 63.206 63.100 0.547 0.000 0.776 462 P CB 0.875 33.008 31.700 0.722 0.000 0.888 463 G N 2.186 111.167 108.800 0.301 0.000 2.476 463 G HA2 0.255 4.210 3.960 -0.009 0.000 0.286 463 G HA3 0.255 4.210 3.960 -0.009 0.000 0.286 463 G C -0.854 174.159 174.900 0.189 0.000 1.177 463 G CA -0.467 44.813 45.100 0.300 0.000 0.870 463 G HN 0.568 nan 8.290 nan 0.000 0.528 464 Q N 0.420 120.290 119.800 0.117 0.000 2.431 464 Q HA 0.405 4.740 4.340 -0.009 0.000 0.249 464 Q C 0.437 176.230 176.000 -0.345 0.000 1.025 464 Q CA -0.634 55.154 55.803 -0.026 0.000 0.835 464 Q CB 0.834 29.618 28.738 0.076 0.000 1.207 464 Q HN 0.595 nan 8.270 nan 0.000 0.490 465 G N 4.167 112.709 108.800 -0.431 0.000 3.101 465 G HA2 -0.004 3.951 3.960 -0.009 0.000 0.272 465 G HA3 -0.004 3.951 3.960 -0.009 0.000 0.272 465 G C -0.282 174.495 174.900 -0.204 0.000 0.801 465 G CA -0.198 44.563 45.100 -0.564 0.000 1.978 465 G HN 0.488 nan 8.290 nan 0.000 0.591 466 N N 1.158 119.800 118.700 -0.095 0.000 2.314 466 N HA 0.038 4.773 4.740 -0.009 0.000 0.304 466 N C 1.109 176.708 175.510 0.147 0.000 1.073 466 N CA -0.658 52.434 53.050 0.071 0.000 0.822 466 N CB 1.306 39.871 38.487 0.131 0.000 1.280 466 N HN 0.251 nan 8.380 nan 0.000 0.489 467 N N 1.984 120.821 118.700 0.229 0.000 2.651 467 N HA -0.147 4.587 4.740 -0.009 0.000 0.193 467 N C 1.376 177.006 175.510 0.200 0.000 1.149 467 N CA 0.525 53.754 53.050 0.298 0.000 0.933 467 N CB -0.200 38.542 38.487 0.426 0.000 0.974 467 N HN 0.277 nan 8.380 nan 0.000 0.448 468 V N -0.528 119.426 119.914 0.068 0.000 2.720 468 V HA -0.185 3.930 4.120 -0.009 0.000 0.256 468 V C 1.044 176.801 176.094 -0.562 0.000 1.082 468 V CA 1.339 63.339 62.300 -0.500 0.000 1.101 468 V CB -0.734 30.807 31.823 -0.471 0.000 0.693 468 V HN 0.347 nan 8.190 nan 0.000 0.479 469 Y N -1.075 119.060 120.300 -0.276 0.000 2.561 469 Y HA 0.039 4.584 4.550 -0.009 0.000 0.291 469 Y C 2.029 177.817 175.900 -0.186 0.000 1.141 469 Y CA 0.829 58.799 58.100 -0.217 0.000 1.303 469 Y CB 0.363 38.728 38.460 -0.158 0.000 1.015 469 Y HN 0.246 nan 8.280 nan 0.000 0.547 470 I N -1.772 118.780 120.570 -0.031 0.000 3.366 470 I HA -0.115 4.050 4.170 -0.009 0.000 0.267 470 I C 2.096 178.197 176.117 -0.026 0.000 1.149 470 I CA 0.615 61.926 61.300 0.019 0.000 1.436 470 I CB -1.392 36.715 38.000 0.178 0.000 1.379 470 I HN 0.166 nan 8.210 nan 0.000 0.460 471 F N 2.153 122.173 119.950 0.117 0.000 2.202 471 F HA 0.014 4.535 4.527 -0.010 0.000 0.301 471 F C -0.806 174.920 175.800 -0.123 0.000 1.082 471 F CA 0.753 58.819 58.000 0.111 0.000 1.313 471 F CB -2.751 36.461 39.000 0.353 0.000 1.024 471 F HN 0.079 nan 8.300 nan 0.000 0.495 472 P HA -0.006 nan 4.420 nan 0.000 0.215 472 P C 2.122 179.263 177.300 -0.266 0.000 1.157 472 P CA 2.308 65.188 63.100 -0.367 0.000 0.859 472 P CB -0.401 31.053 31.700 -0.410 0.000 0.786 473 G N -0.382 108.296 108.800 -0.204 0.000 2.402 473 G HA2 -0.203 3.752 3.960 -0.009 0.000 0.216 473 G HA3 -0.203 3.752 3.960 -0.009 0.000 0.216 473 G C 1.625 176.436 174.900 -0.149 0.000 1.162 473 G CA 0.654 45.668 45.100 -0.144 0.000 0.777 473 G HN 0.128 nan 8.290 nan 0.000 0.539 474 V N 1.564 121.374 119.914 -0.173 0.000 2.343 474 V HA -0.120 3.995 4.120 -0.009 0.000 0.247 474 V C 3.321 179.299 176.094 -0.193 0.000 1.051 474 V CA 1.960 64.117 62.300 -0.237 0.000 1.036 474 V CB -0.828 30.762 31.823 -0.388 0.000 0.654 474 V HN 0.474 nan 8.190 nan 0.000 0.451 475 A N -0.052 122.663 122.820 -0.175 0.000 1.883 475 A HA -0.225 4.090 4.320 -0.009 0.000 0.217 475 A C 2.182 179.701 177.584 -0.108 0.000 1.186 475 A CA 2.195 54.148 52.037 -0.140 0.000 0.624 475 A CB -0.671 18.040 19.000 -0.481 0.000 0.822 475 A HN 0.440 nan 8.150 nan 0.000 0.444 476 L N -0.184 120.953 121.223 -0.144 0.000 2.012 476 L HA -0.142 4.193 4.340 -0.009 0.000 0.210 476 L C 2.717 179.561 176.870 -0.044 0.000 1.073 476 L CA 2.373 57.162 54.840 -0.085 0.000 0.748 476 L CB -0.881 41.122 42.059 -0.093 0.000 0.891 476 L HN 0.376 nan 8.230 nan 0.000 0.431 477 A N -1.259 121.531 122.820 -0.050 0.000 1.858 477 A HA -0.164 4.151 4.320 -0.009 0.000 0.216 477 A C 2.266 179.851 177.584 0.002 0.000 1.190 477 A CA 2.106 54.137 52.037 -0.011 0.000 0.617 477 A CB -1.196 17.787 19.000 -0.029 0.000 0.827 477 A HN 0.301 nan 8.150 nan 0.000 0.443 478 V N 0.231 120.131 119.914 -0.023 0.000 2.392 478 V HA -0.283 3.832 4.120 -0.009 0.000 0.249 478 V C 2.407 178.522 176.094 0.036 0.000 1.059 478 V CA 2.082 64.385 62.300 0.005 0.000 1.051 478 V CB -0.698 31.130 31.823 0.008 0.000 0.658 478 V HN 0.560 nan 8.190 nan 0.000 0.455 479 I N -0.675 119.915 120.570 0.033 0.000 2.193 479 I HA -0.206 3.958 4.170 -0.009 0.000 0.240 479 I C 2.262 178.411 176.117 0.053 0.000 1.084 479 I CA 1.479 62.802 61.300 0.038 0.000 1.365 479 I CB -0.297 37.718 38.000 0.025 0.000 1.064 479 I HN 0.225 nan 8.210 nan 0.000 0.410 480 L N -0.138 121.122 121.223 0.061 0.000 2.191 480 L HA -0.207 4.127 4.340 -0.009 0.000 0.212 480 L C 2.162 179.160 176.870 0.213 0.000 1.103 480 L CA 0.895 55.814 54.840 0.131 0.000 0.769 480 L CB -0.498 41.622 42.059 0.101 0.000 0.908 480 L HN 0.424 nan 8.230 nan 0.000 0.438 481 C N -0.435 118.941 119.300 0.127 0.000 2.697 481 C HA 0.124 4.578 4.460 -0.009 0.000 0.267 481 C C 1.137 176.168 174.990 0.068 0.000 1.278 481 C CA -0.432 58.614 59.018 0.048 0.000 1.708 481 C CB -1.627 26.059 27.740 -0.090 0.000 1.860 481 C HN 0.616 nan 8.230 nan 0.000 0.589 482 N N 0.700 119.462 118.700 0.103 0.000 2.721 482 N HA -0.146 4.589 4.740 -0.009 0.000 0.249 482 N C -0.437 175.175 175.510 0.170 0.000 1.072 482 N CA 0.219 53.342 53.050 0.123 0.000 0.710 482 N CB -0.981 37.600 38.487 0.157 0.000 0.993 482 N HN 0.490 nan 8.380 nan 0.000 0.547 483 T N 0.057 114.687 114.554 0.127 0.000 2.940 483 T HA 0.049 4.393 4.350 -0.009 0.000 0.309 483 T C 1.583 176.318 174.700 0.060 0.000 1.056 483 T CA 0.118 62.310 62.100 0.153 0.000 1.137 483 T CB 1.149 70.063 68.868 0.077 0.000 0.976 483 T HN 0.229 nan 8.240 nan 0.000 0.547 484 R N 1.052 121.558 120.500 0.009 0.000 2.128 484 R HA 0.125 4.460 4.340 -0.009 0.000 0.211 484 R C 0.120 176.062 176.300 -0.597 0.000 1.067 484 R CA 0.725 56.624 56.100 -0.335 0.000 1.010 484 R CB 0.168 30.195 30.300 -0.455 0.000 0.922 484 R HN 0.681 nan 8.270 nan 0.000 0.457 485 H N -1.233 117.915 119.070 0.129 0.000 2.961 485 H HA 0.429 4.979 4.556 -0.009 0.000 0.371 485 H C -1.092 174.326 175.328 0.149 0.000 1.190 485 H CA -0.739 55.394 56.048 0.142 0.000 1.138 485 H CB 2.232 32.066 29.762 0.119 0.000 1.816 485 H HN -0.116 nan 8.280 nan 0.000 0.551 486 I N 2.254 123.003 120.570 0.298 0.000 2.355 486 I HA 0.259 4.424 4.170 -0.009 0.000 0.288 486 I C 0.073 176.351 176.117 0.268 0.000 0.999 486 I CA -0.607 60.832 61.300 0.231 0.000 1.163 486 I CB 1.287 39.421 38.000 0.223 0.000 1.316 486 I HN 0.597 nan 8.210 nan 0.000 0.454 487 S N 2.927 118.760 115.700 0.221 0.000 2.669 487 S HA 0.250 4.715 4.470 -0.009 0.000 0.270 487 S C 0.649 175.412 174.600 0.272 0.000 1.225 487 S CA -0.677 57.657 58.200 0.224 0.000 0.991 487 S CB 1.625 64.942 63.200 0.195 0.000 0.987 487 S HN 0.539 nan 8.310 nan 0.000 0.552 488 D N 1.388 121.940 120.400 0.253 0.000 2.144 488 D HA -0.107 4.528 4.640 -0.009 0.000 0.199 488 D C 2.261 178.699 176.300 0.230 0.000 0.984 488 D CA 1.825 55.996 54.000 0.285 0.000 0.834 488 D CB -0.663 40.252 40.800 0.193 0.000 0.955 488 D HN 0.733 nan 8.370 nan 0.000 0.465 489 S N 0.127 115.913 115.700 0.145 0.000 2.419 489 S HA -0.129 4.336 4.470 -0.009 0.000 0.235 489 S C 2.199 176.693 174.600 -0.176 0.000 1.019 489 S CA 0.746 58.966 58.200 0.033 0.000 0.982 489 S CB -0.628 62.646 63.200 0.124 0.000 0.789 489 S HN 0.088 nan 8.310 nan 0.000 0.490 490 V N 0.651 120.495 119.914 -0.116 0.000 2.427 490 V HA -0.076 4.038 4.120 -0.009 0.000 0.248 490 V C 2.096 177.932 176.094 -0.429 0.000 1.051 490 V CA 1.689 63.791 62.300 -0.329 0.000 1.048 490 V CB -0.969 30.681 31.823 -0.288 0.000 0.666 490 V HN 0.496 nan 8.190 nan 0.000 0.456 491 F N -1.052 118.839 119.950 -0.098 0.000 2.293 491 F HA 0.001 4.522 4.527 -0.009 0.000 0.297 491 F C 2.105 177.870 175.800 -0.059 0.000 1.089 491 F CA 0.989 58.948 58.000 -0.068 0.000 1.377 491 F CB -0.257 38.733 39.000 -0.016 0.000 1.051 491 F HN 0.027 nan 8.300 nan 0.000 0.511 492 L N 0.105 121.370 121.223 0.071 0.000 2.046 492 L HA -0.228 4.106 4.340 -0.009 0.000 0.208 492 L C 2.529 179.361 176.870 -0.063 0.000 1.077 492 L CA 1.660 56.515 54.840 0.025 0.000 0.747 492 L CB -0.245 41.819 42.059 0.008 0.000 0.896 492 L HN 0.112 nan 8.230 nan 0.000 0.432 493 E N 0.247 120.320 120.200 -0.211 0.000 2.077 493 E HA -0.210 4.135 4.350 -0.009 0.000 0.193 493 E C 1.992 178.505 176.600 -0.145 0.000 0.989 493 E CA 1.655 57.900 56.400 -0.259 0.000 0.800 493 E CB -0.175 29.186 29.700 -0.565 0.000 0.746 493 E HN 0.491 nan 8.360 nan 0.000 0.452 494 A N 0.762 123.494 122.820 -0.146 0.000 1.933 494 A HA -0.081 4.233 4.320 -0.009 0.000 0.218 494 A C 2.441 180.021 177.584 -0.007 0.000 1.175 494 A CA 2.174 54.159 52.037 -0.086 0.000 0.628 494 A CB -1.034 17.896 19.000 -0.116 0.000 0.814 494 A HN 0.389 nan 8.150 nan 0.000 0.444 495 A N -0.015 122.822 122.820 0.029 0.000 1.877 495 A HA -0.177 4.138 4.320 -0.009 0.000 0.216 495 A C 2.111 179.716 177.584 0.036 0.000 1.186 495 A CA 1.854 53.931 52.037 0.065 0.000 0.620 495 A CB -0.443 18.614 19.000 0.094 0.000 0.822 495 A HN 0.567 nan 8.150 nan 0.000 0.443 496 K N -0.210 120.197 120.400 0.011 0.000 2.057 496 K HA -0.008 4.307 4.320 -0.009 0.000 0.206 496 K C 2.296 178.898 176.600 0.003 0.000 1.050 496 K CA 1.072 57.363 56.287 0.006 0.000 0.935 496 K CB -0.348 32.149 32.500 -0.004 0.000 0.715 496 K HN 0.422 nan 8.250 nan 0.000 0.439 497 A N 1.622 124.438 122.820 -0.007 0.000 1.908 497 A HA -0.169 4.145 4.320 -0.009 0.000 0.218 497 A C 2.121 179.709 177.584 0.007 0.000 1.181 497 A CA 1.248 53.283 52.037 -0.003 0.000 0.627 497 A CB -0.526 18.465 19.000 -0.015 0.000 0.818 497 A HN 0.239 nan 8.150 nan 0.000 0.445 498 L N -0.464 120.768 121.223 0.015 0.000 1.976 498 L HA -0.098 4.236 4.340 -0.009 0.000 0.209 498 L C 2.572 179.446 176.870 0.007 0.000 1.071 498 L CA 2.998 57.852 54.840 0.022 0.000 0.746 498 L CB -1.303 40.782 42.059 0.044 0.000 0.890 498 L HN 0.391 nan 8.230 nan 0.000 0.432 499 T N -1.589 112.966 114.554 0.001 0.000 2.915 499 T HA -0.137 4.207 4.350 -0.009 0.000 0.269 499 T C 2.029 176.720 174.700 -0.015 0.000 1.071 499 T CA 1.559 63.644 62.100 -0.025 0.000 1.132 499 T CB -0.507 68.344 68.868 -0.030 0.000 0.878 499 T HN 0.696 nan 8.240 nan 0.000 0.479 500 S N 0.341 116.040 115.700 -0.002 0.000 2.507 500 S HA -0.025 4.439 4.470 -0.009 0.000 0.235 500 S C 1.908 176.510 174.600 0.004 0.000 0.988 500 S CA 0.356 58.557 58.200 0.002 0.000 0.944 500 S CB -0.378 62.827 63.200 0.007 0.000 0.762 500 S HN 0.551 nan 8.310 nan 0.000 0.526 501 Q N 0.417 120.220 119.800 0.005 0.000 2.389 501 Q HA 0.278 4.612 4.340 -0.009 0.000 0.204 501 Q C 0.403 176.408 176.000 0.009 0.000 0.944 501 Q CA 0.175 55.985 55.803 0.011 0.000 0.908 501 Q CB -0.167 28.583 28.738 0.020 0.000 1.002 501 Q HN 0.584 nan 8.270 nan 0.000 0.493 502 L N 2.128 123.350 121.223 -0.001 0.000 2.416 502 L HA 0.065 4.400 4.340 -0.009 0.000 0.272 502 L C 0.775 177.646 176.870 0.002 0.000 1.161 502 L CA -0.120 54.718 54.840 -0.003 0.000 0.845 502 L CB 0.769 42.814 42.059 -0.022 0.000 1.119 502 L HN 0.039 nan 8.230 nan 0.000 0.464 503 T N -2.452 112.106 114.554 0.006 0.000 2.928 503 T HA 0.167 4.512 4.350 -0.009 0.000 0.284 503 T C 0.844 175.547 174.700 0.005 0.000 1.008 503 T CA -0.903 61.200 62.100 0.006 0.000 1.057 503 T CB 1.281 70.154 68.868 0.008 0.000 1.018 503 T HN 0.629 nan 8.240 nan 0.000 0.493 504 D N 1.929 122.332 120.400 0.005 0.000 2.149 504 D HA -0.180 4.454 4.640 -0.009 0.000 0.198 504 D C 1.430 177.732 176.300 0.005 0.000 0.990 504 D CA 1.277 55.280 54.000 0.005 0.000 0.839 504 D CB -0.217 40.586 40.800 0.005 0.000 0.948 504 D HN 0.752 nan 8.370 nan 0.000 0.460 505 E N 1.363 121.565 120.200 0.004 0.000 2.058 505 E HA -0.186 4.159 4.350 -0.009 0.000 0.194 505 E C 2.118 178.720 176.600 0.003 0.000 0.997 505 E CA 1.316 57.717 56.400 0.002 0.000 0.801 505 E CB -0.295 29.406 29.700 0.001 0.000 0.746 505 E HN 0.512 nan 8.360 nan 0.000 0.450 506 E N 0.512 120.716 120.200 0.008 0.000 2.110 506 E HA -0.148 4.197 4.350 -0.009 0.000 0.193 506 E C 2.171 178.780 176.600 0.015 0.000 0.988 506 E CA 0.841 57.250 56.400 0.014 0.000 0.804 506 E CB -0.250 29.461 29.700 0.019 0.000 0.745 506 E HN 0.218 nan 8.360 nan 0.000 0.458 507 L N 0.858 122.088 121.223 0.011 0.000 2.081 507 L HA -0.211 4.124 4.340 -0.009 0.000 0.212 507 L C 2.568 179.454 176.870 0.025 0.000 1.080 507 L CA 1.162 56.011 54.840 0.015 0.000 0.754 507 L CB -0.557 41.508 42.059 0.009 0.000 0.893 507 L HN 0.145 nan 8.230 nan 0.000 0.433 508 A N -0.587 122.242 122.820 0.015 0.000 2.119 508 A HA -0.153 4.161 4.320 -0.009 0.000 0.217 508 A C 2.042 179.625 177.584 -0.002 0.000 1.153 508 A CA 0.942 52.986 52.037 0.011 0.000 0.692 508 A CB -0.320 18.679 19.000 -0.001 0.000 0.799 508 A HN 0.548 nan 8.150 nan 0.000 0.458 509 Q N -1.346 118.453 119.800 -0.001 0.000 2.365 509 Q HA 0.293 4.628 4.340 -0.009 0.000 0.203 509 Q C 1.059 177.067 176.000 0.013 0.000 0.929 509 Q CA 0.333 56.121 55.803 -0.024 0.000 0.948 509 Q CB 0.155 28.885 28.738 -0.014 0.000 1.043 509 Q HN 0.798 nan 8.270 nan 0.000 0.505 510 G N 1.440 110.284 108.800 0.073 0.000 2.175 510 G HA2 -0.223 3.731 3.960 -0.009 0.000 0.244 510 G HA3 -0.223 3.731 3.960 -0.009 0.000 0.244 510 G C -0.068 174.926 174.900 0.156 0.000 0.982 510 G CA -0.558 44.643 45.100 0.169 0.000 0.641 510 G HN 0.115 nan 8.290 nan 0.000 0.527 511 R N 0.360 120.915 120.500 0.092 0.000 2.404 511 R HA 0.376 4.710 4.340 -0.009 0.000 0.315 511 R C 1.158 177.457 176.300 -0.002 0.000 1.032 511 R CA -0.109 56.032 56.100 0.068 0.000 0.992 511 R CB 0.310 30.640 30.300 0.049 0.000 0.959 511 R HN 0.380 nan 8.270 nan 0.000 0.428 512 L N 2.536 123.718 121.223 -0.068 0.000 2.693 512 L HA 0.261 4.595 4.340 -0.009 0.000 0.235 512 L C -0.385 176.050 176.870 -0.725 0.000 1.127 512 L CA 0.254 54.892 54.840 -0.337 0.000 0.914 512 L CB 0.210 42.052 42.059 -0.362 0.000 1.193 512 L HN 0.507 nan 8.230 nan 0.000 0.502 513 Y N -1.535 118.706 120.300 -0.098 0.000 2.581 513 Y HA 0.397 4.941 4.550 -0.009 0.000 0.337 513 Y C -2.485 173.330 175.900 -0.142 0.000 1.108 513 Y CA -2.401 55.554 58.100 -0.242 0.000 1.033 513 Y CB 1.247 39.417 38.460 -0.482 0.000 1.318 513 Y HN -0.226 nan 8.280 nan 0.000 0.459 514 P HA 0.105 nan 4.420 nan 0.000 0.270 514 P C -2.615 174.797 177.300 0.187 0.000 1.223 514 P CA -0.967 62.185 63.100 0.087 0.000 0.785 514 P CB 0.066 31.820 31.700 0.089 0.000 0.923 515 P HA -0.035 nan 4.420 nan 0.000 0.264 515 P C 0.723 178.144 177.300 0.201 0.000 1.183 515 P CA 0.072 63.270 63.100 0.163 0.000 0.763 515 P CB 0.304 32.063 31.700 0.099 0.000 0.807 516 L N 4.435 125.767 121.223 0.183 0.000 2.191 516 L HA -0.153 4.182 4.340 -0.009 0.000 0.212 516 L C 2.072 178.944 176.870 0.005 0.000 1.103 516 L CA 1.956 56.832 54.840 0.060 0.000 0.769 516 L CB -1.171 40.897 42.059 0.014 0.000 0.908 516 L HN 0.427 nan 8.230 nan 0.000 0.438 517 A N -0.894 121.946 122.820 0.035 0.000 2.125 517 A HA -0.174 4.140 4.320 -0.009 0.000 0.219 517 A C 1.764 179.354 177.584 0.010 0.000 1.156 517 A CA 1.783 53.829 52.037 0.015 0.000 0.671 517 A CB -0.812 18.203 19.000 0.025 0.000 0.794 517 A HN 0.723 nan 8.150 nan 0.000 0.459 518 N N -0.905 117.815 118.700 0.033 0.000 2.235 518 N HA 0.140 4.875 4.740 -0.009 0.000 0.209 518 N C 1.057 176.583 175.510 0.026 0.000 1.122 518 N CA -0.121 52.948 53.050 0.031 0.000 0.845 518 N CB 0.192 38.709 38.487 0.051 0.000 1.004 518 N HN 0.383 nan 8.380 nan 0.000 0.499 519 I N 1.770 122.334 120.570 -0.010 0.000 2.315 519 I HA -0.331 3.833 4.170 -0.009 0.000 0.251 519 I C 1.938 178.017 176.117 -0.063 0.000 1.125 519 I CA 1.819 63.080 61.300 -0.065 0.000 1.392 519 I CB 0.099 37.968 38.000 -0.218 0.000 1.065 519 I HN 0.113 nan 8.210 nan 0.000 0.424 520 Q N 0.481 120.249 119.800 -0.054 0.000 2.020 520 Q HA -0.242 4.092 4.340 -0.009 0.000 0.202 520 Q C 2.139 178.119 176.000 -0.033 0.000 0.982 520 Q CA 2.237 58.010 55.803 -0.049 0.000 0.838 520 Q CB -0.511 28.204 28.738 -0.039 0.000 0.899 520 Q HN 0.783 nan 8.270 nan 0.000 0.423 521 E N 0.078 120.268 120.200 -0.017 0.000 2.208 521 E HA -0.119 4.225 4.350 -0.009 0.000 0.193 521 E C 1.818 178.419 176.600 0.000 0.000 0.988 521 E CA 1.224 57.619 56.400 -0.009 0.000 0.828 521 E CB -0.181 29.517 29.700 -0.002 0.000 0.763 521 E HN 0.131 nan 8.360 nan 0.000 0.478 522 V N 1.440 121.364 119.914 0.017 0.000 2.343 522 V HA -0.246 3.869 4.120 -0.009 0.000 0.247 522 V C 2.412 178.515 176.094 0.015 0.000 1.051 522 V CA 2.012 64.335 62.300 0.040 0.000 1.036 522 V CB -0.405 31.483 31.823 0.108 0.000 0.654 522 V HN 0.318 nan 8.190 nan 0.000 0.451 523 S N -0.003 115.686 115.700 -0.017 0.000 2.368 523 S HA -0.105 4.360 4.470 -0.009 0.000 0.224 523 S C 1.938 176.507 174.600 -0.052 0.000 1.029 523 S CA 1.266 59.432 58.200 -0.056 0.000 0.988 523 S CB -0.255 62.881 63.200 -0.106 0.000 0.838 523 S HN 0.380 nan 8.310 nan 0.000 0.462 524 I N 2.796 123.342 120.570 -0.041 0.000 2.179 524 I HA -0.138 4.027 4.170 -0.009 0.000 0.242 524 I C 1.932 178.036 176.117 -0.022 0.000 1.088 524 I CA 1.234 62.512 61.300 -0.036 0.000 1.357 524 I CB -1.644 36.337 38.000 -0.031 0.000 1.051 524 I HN 0.251 nan 8.210 nan 0.000 0.409 525 N N 1.044 119.737 118.700 -0.012 0.000 2.166 525 N HA -0.107 4.627 4.740 -0.009 0.000 0.186 525 N C 1.985 177.493 175.510 -0.003 0.000 1.019 525 N CA 1.116 54.165 53.050 -0.002 0.000 0.856 525 N CB -0.262 38.228 38.487 0.005 0.000 0.993 525 N HN 0.375 nan 8.380 nan 0.000 0.426 526 I N 0.864 121.427 120.570 -0.012 0.000 2.315 526 I HA -0.206 3.958 4.170 -0.009 0.000 0.248 526 I C 2.244 178.342 176.117 -0.031 0.000 1.117 526 I CA 0.814 62.100 61.300 -0.022 0.000 1.404 526 I CB -0.260 37.722 38.000 -0.030 0.000 1.071 526 I HN 0.055 nan 8.210 nan 0.000 0.419 527 A N 1.166 123.964 122.820 -0.037 0.000 1.902 527 A HA -0.179 4.135 4.320 -0.009 0.000 0.217 527 A C 2.283 179.870 177.584 0.005 0.000 1.181 527 A CA 1.517 53.534 52.037 -0.033 0.000 0.623 527 A CB -0.775 18.198 19.000 -0.045 0.000 0.818 527 A HN 0.386 nan 8.150 nan 0.000 0.443 528 I N -0.749 119.829 120.570 0.013 0.000 2.202 528 I HA -0.229 3.935 4.170 -0.009 0.000 0.242 528 I C 2.378 178.528 176.117 0.054 0.000 1.091 528 I CA 1.227 62.551 61.300 0.040 0.000 1.368 528 I CB -0.304 37.712 38.000 0.028 0.000 1.058 528 I HN 0.165 nan 8.210 nan 0.000 0.410 529 K N 0.638 121.061 120.400 0.037 0.000 2.097 529 K HA -0.083 4.232 4.320 -0.009 0.000 0.206 529 K C 2.143 178.789 176.600 0.076 0.000 1.049 529 K CA 1.071 57.387 56.287 0.049 0.000 0.933 529 K CB -0.457 32.057 32.500 0.023 0.000 0.717 529 K HN 0.218 nan 8.250 nan 0.000 0.442 530 V N 1.673 121.613 119.914 0.042 0.000 2.358 530 V HA -0.218 3.897 4.120 -0.009 0.000 0.246 530 V C 2.647 178.816 176.094 0.125 0.000 1.047 530 V CA 2.269 64.601 62.300 0.053 0.000 1.035 530 V CB -0.966 30.829 31.823 -0.047 0.000 0.658 530 V HN 0.514 nan 8.190 nan 0.000 0.452 531 T N -1.207 113.414 114.554 0.113 0.000 2.746 531 T HA -0.243 4.102 4.350 -0.009 0.000 0.267 531 T C 1.637 176.486 174.700 0.248 0.000 1.039 531 T CA 1.735 63.938 62.100 0.172 0.000 1.142 531 T CB -0.477 68.522 68.868 0.218 0.000 0.866 531 T HN 0.596 nan 8.240 nan 0.000 0.444 532 E N 0.088 120.406 120.200 0.197 0.000 2.153 532 E HA -0.118 4.226 4.350 -0.009 0.000 0.194 532 E C 1.895 178.587 176.600 0.153 0.000 0.988 532 E CA 1.217 57.718 56.400 0.168 0.000 0.811 532 E CB -0.342 29.420 29.700 0.103 0.000 0.746 532 E HN 0.713 nan 8.360 nan 0.000 0.466 533 Y N 1.353 121.684 120.300 0.051 0.000 2.220 533 Y HA -0.122 4.422 4.550 -0.009 0.000 0.291 533 Y C 1.885 177.790 175.900 0.008 0.000 1.129 533 Y CA 1.127 59.240 58.100 0.022 0.000 1.161 533 Y CB -0.078 38.380 38.460 -0.004 0.000 0.997 533 Y HN -0.082 nan 8.280 nan 0.000 0.522 534 L N -1.248 119.964 121.223 -0.018 0.000 2.046 534 L HA -0.250 4.084 4.340 -0.009 0.000 0.208 534 L C 2.117 178.826 176.870 -0.269 0.000 1.077 534 L CA 1.569 56.310 54.840 -0.165 0.000 0.747 534 L CB -0.821 41.170 42.059 -0.114 0.000 0.896 534 L HN 0.226 nan 8.230 nan 0.000 0.432 535 Y N -0.236 119.972 120.300 -0.153 0.000 2.200 535 Y HA -0.214 4.330 4.550 -0.009 0.000 0.290 535 Y C 2.625 178.414 175.900 -0.186 0.000 1.137 535 Y CA 1.200 59.202 58.100 -0.164 0.000 1.163 535 Y CB -0.371 38.024 38.460 -0.109 0.000 0.988 535 Y HN 0.125 nan 8.280 nan 0.000 0.518 536 A N -0.232 122.567 122.820 -0.034 0.000 2.125 536 A HA -0.137 4.178 4.320 -0.009 0.000 0.219 536 A C 1.329 178.799 177.584 -0.190 0.000 1.156 536 A CA 1.502 53.480 52.037 -0.100 0.000 0.671 536 A CB -0.391 18.550 19.000 -0.097 0.000 0.794 536 A HN 0.472 nan 8.150 nan 0.000 0.459 537 N N -0.541 117.976 118.700 -0.305 0.000 2.338 537 N HA 0.129 4.864 4.740 -0.009 0.000 0.251 537 N C -0.758 174.622 175.510 -0.218 0.000 1.199 537 N CA -0.147 52.725 53.050 -0.296 0.000 0.879 537 N CB 0.752 38.940 38.487 -0.499 0.000 1.159 537 N HN 0.098 nan 8.380 nan 0.000 0.514 538 K N 0.302 120.571 120.400 -0.217 0.000 3.156 538 K HA -0.172 4.143 4.320 -0.009 0.000 0.266 538 K C 0.453 176.845 176.600 -0.346 0.000 0.966 538 K CA 0.679 56.810 56.287 -0.260 0.000 0.719 538 K CB -1.746 30.667 32.500 -0.145 0.000 1.333 538 K HN 0.431 nan 8.250 nan 0.000 0.468 539 M N -1.520 117.839 119.600 -0.402 0.000 2.306 539 M HA 0.235 4.709 4.480 -0.009 0.000 0.292 539 M C 0.310 176.321 176.300 -0.482 0.000 1.018 539 M CA -0.094 55.035 55.300 -0.285 0.000 1.007 539 M CB 1.058 33.605 32.600 -0.088 0.000 1.510 539 M HN 0.239 nan 8.290 nan 0.000 0.537 540 A N 0.362 122.666 122.820 -0.861 0.000 2.324 540 A HA 0.796 5.111 4.320 -0.009 0.000 0.330 540 A C -0.896 176.076 177.584 -1.020 0.000 1.165 540 A CA -0.323 51.193 52.037 -0.869 0.000 0.813 540 A CB 0.328 18.410 19.000 -1.530 0.000 1.197 540 A HN 0.371 nan 8.150 nan 0.000 0.484 541 F N 2.150 121.999 119.950 -0.167 0.000 2.566 541 F HA 0.352 4.873 4.527 -0.009 0.000 0.347 541 F C -0.249 175.581 175.800 0.050 0.000 1.515 541 F CA -0.363 57.614 58.000 -0.037 0.000 1.103 541 F CB 1.032 40.021 39.000 -0.017 0.000 1.385 541 F HN 0.252 nan 8.300 nan 0.000 0.560 542 V N 1.224 121.238 119.914 0.166 0.000 2.628 542 V HA 0.550 4.664 4.120 -0.009 0.000 0.306 542 V C -0.905 175.342 176.094 0.254 0.000 1.045 542 V CA -1.072 61.352 62.300 0.206 0.000 0.905 542 V CB 2.191 34.112 31.823 0.163 0.000 0.997 542 V HN 0.365 nan 8.190 nan 0.000 0.436 543 Y N 4.861 125.198 120.300 0.062 0.000 2.504 543 Y HA 0.887 5.432 4.550 -0.009 0.000 0.344 543 Y C -2.598 173.310 175.900 0.012 0.000 1.023 543 Y CA -2.127 55.992 58.100 0.032 0.000 1.020 543 Y CB 1.204 39.691 38.460 0.045 0.000 1.282 543 Y HN 0.562 nan 8.280 nan 0.000 0.454 544 P HA 0.165 nan 4.420 nan 0.000 0.274 544 P C -1.167 176.132 177.300 -0.002 0.000 1.246 544 P CA -0.536 62.632 63.100 0.113 0.000 0.795 544 P CB 1.346 33.085 31.700 0.064 0.000 1.006 545 E N 2.485 122.692 120.200 0.012 0.000 2.351 545 E HA 0.106 4.450 4.350 -0.009 0.000 0.266 545 E C -1.682 174.770 176.600 -0.246 0.000 1.031 545 E CA -1.633 54.702 56.400 -0.108 0.000 0.911 545 E CB 0.162 29.804 29.700 -0.097 0.000 0.986 545 E HN 0.259 nan 8.360 nan 0.000 0.446 546 P HA -0.023 nan 4.420 nan 0.000 0.268 546 P C 0.081 177.220 177.300 -0.270 0.000 1.205 546 P CA -0.014 62.883 63.100 -0.338 0.000 0.771 546 P CB 1.179 32.580 31.700 -0.498 0.000 0.858 547 E N 0.695 120.797 120.200 -0.164 0.000 2.072 547 E HA -0.112 4.232 4.350 -0.009 0.000 0.190 547 E C 0.205 176.736 176.600 -0.114 0.000 0.982 547 E CA 1.271 57.593 56.400 -0.130 0.000 0.803 547 E CB 0.052 29.704 29.700 -0.080 0.000 0.755 547 E HN 0.516 nan 8.360 nan 0.000 0.453 548 D N 0.259 120.614 120.400 -0.075 0.000 2.473 548 D HA 0.088 4.723 4.640 -0.009 0.000 0.226 548 D C 0.419 176.720 176.300 0.001 0.000 1.089 548 D CA -0.214 53.765 54.000 -0.035 0.000 0.883 548 D CB 0.813 41.609 40.800 -0.007 0.000 1.029 548 D HN -0.251 nan 8.370 nan 0.000 0.517 549 K N 1.952 122.339 120.400 -0.021 0.000 2.032 549 K HA -0.098 4.217 4.320 -0.009 0.000 0.209 549 K C 1.913 178.576 176.600 0.105 0.000 1.048 549 K CA 1.500 57.819 56.287 0.053 0.000 0.927 549 K CB -0.190 32.321 32.500 0.018 0.000 0.712 549 K HN 0.411 nan 8.250 nan 0.000 0.441 550 A N 1.238 124.090 122.820 0.053 0.000 1.883 550 A HA -0.265 4.050 4.320 -0.009 0.000 0.217 550 A C 2.149 179.757 177.584 0.041 0.000 1.186 550 A CA 2.018 54.079 52.037 0.040 0.000 0.624 550 A CB -0.510 18.503 19.000 0.021 0.000 0.822 550 A HN 0.296 nan 8.150 nan 0.000 0.444 551 K N -1.956 118.473 120.400 0.049 0.000 2.057 551 K HA -0.201 4.114 4.320 -0.009 0.000 0.207 551 K C 1.959 178.607 176.600 0.080 0.000 1.049 551 K CA 1.678 57.993 56.287 0.047 0.000 0.931 551 K CB -0.373 32.152 32.500 0.042 0.000 0.714 551 K HN 0.532 nan 8.250 nan 0.000 0.440 552 Y N 1.284 121.576 120.300 -0.014 0.000 2.114 552 Y HA -0.243 4.301 4.550 -0.009 0.000 0.284 552 Y C 1.883 177.788 175.900 0.008 0.000 1.143 552 Y CA 1.483 59.581 58.100 -0.004 0.000 1.135 552 Y CB -0.582 37.875 38.460 -0.005 0.000 0.980 552 Y HN -0.172 nan 8.280 nan 0.000 0.499 553 V N 0.979 120.823 119.914 -0.117 0.000 2.287 553 V HA -0.347 3.768 4.120 -0.009 0.000 0.248 553 V C 2.315 178.312 176.094 -0.161 0.000 1.053 553 V CA 2.471 64.652 62.300 -0.198 0.000 1.027 553 V CB -0.657 31.137 31.823 -0.049 0.000 0.646 553 V HN 0.353 nan 8.190 nan 0.000 0.447 554 K N -0.276 120.073 120.400 -0.085 0.000 2.147 554 K HA -0.175 4.139 4.320 -0.009 0.000 0.205 554 K C 2.041 178.595 176.600 -0.077 0.000 1.049 554 K CA 1.474 57.721 56.287 -0.066 0.000 0.936 554 K CB -0.152 32.326 32.500 -0.036 0.000 0.722 554 K HN 0.599 nan 8.250 nan 0.000 0.446 555 E N 0.321 120.467 120.200 -0.090 0.000 2.285 555 E HA -0.102 4.242 4.350 -0.009 0.000 0.194 555 E C 1.791 178.329 176.600 -0.104 0.000 0.997 555 E CA 0.484 56.839 56.400 -0.075 0.000 0.845 555 E CB 0.234 29.914 29.700 -0.034 0.000 0.782 555 E HN 0.224 nan 8.360 nan 0.000 0.491 556 Q N 0.418 120.106 119.800 -0.187 0.000 2.432 556 Q HA -0.011 4.323 4.340 -0.009 0.000 0.205 556 Q C 0.853 176.808 176.000 -0.076 0.000 0.945 556 Q CA 0.572 56.272 55.803 -0.172 0.000 0.924 556 Q CB 0.045 28.581 28.738 -0.337 0.000 1.016 556 Q HN 0.279 nan 8.270 nan 0.000 0.503 557 T N -1.795 112.720 114.554 -0.065 0.000 2.916 557 T HA 0.088 4.433 4.350 -0.009 0.000 0.303 557 T C -0.302 174.427 174.700 0.048 0.000 1.025 557 T CA -0.677 61.421 62.100 -0.004 0.000 1.142 557 T CB 0.781 69.635 68.868 -0.023 0.000 0.947 557 T HN 0.230 nan 8.240 nan 0.000 0.544 558 W N 3.252 124.496 121.300 -0.093 0.000 2.238 558 W HA 0.521 5.175 4.660 -0.010 0.000 0.321 558 W C -0.050 176.411 176.519 -0.097 0.000 1.293 558 W CA -0.835 56.456 57.345 -0.089 0.000 1.204 558 W CB 0.570 29.965 29.460 -0.108 0.000 1.167 558 W HN 0.566 nan 8.180 nan 0.000 0.553 559 R N 2.209 122.217 120.500 -0.820 0.000 2.664 559 R HA 0.214 4.549 4.340 -0.009 0.000 0.286 559 R C 1.183 176.672 176.300 -1.351 0.000 0.967 559 R CA -0.080 55.556 56.100 -0.773 0.000 0.933 559 R CB 1.659 31.681 30.300 -0.464 0.000 1.146 559 R HN 0.533 nan 8.270 nan 0.000 0.468 560 S N 0.808 116.023 115.700 -0.808 0.000 2.561 560 S HA -0.015 4.449 4.470 -0.009 0.000 0.225 560 S C 0.036 174.323 174.600 -0.521 0.000 0.977 560 S CA -0.050 57.770 58.200 -0.635 0.000 0.926 560 S CB -0.242 62.844 63.200 -0.190 0.000 0.769 560 S HN 0.529 nan 8.310 nan 0.000 0.533 561 E N 1.452 121.372 120.200 -0.466 0.000 2.392 561 E HA 0.092 4.436 4.350 -0.009 0.000 0.264 561 E C -0.646 175.779 176.600 -0.290 0.000 1.024 561 E CA -0.417 55.771 56.400 -0.353 0.000 0.903 561 E CB 0.161 29.725 29.700 -0.227 0.000 0.963 561 E HN 0.544 nan 8.360 nan 0.000 0.432 562 Y N 1.026 121.248 120.300 -0.130 0.000 2.578 562 Y HA -0.036 4.509 4.550 -0.008 0.000 0.339 562 Y C 0.932 176.778 175.900 -0.091 0.000 1.231 562 Y CA 0.213 58.250 58.100 -0.105 0.000 1.461 562 Y CB 0.618 39.017 38.460 -0.101 0.000 1.323 562 Y HN 0.347 nan 8.280 nan 0.000 0.590 563 D N 0.408 120.884 120.400 0.126 0.000 2.272 563 D HA 0.118 4.752 4.640 -0.009 0.000 0.247 563 D C -0.630 175.710 176.300 0.067 0.000 0.990 563 D CA -0.540 53.498 54.000 0.063 0.000 0.931 563 D CB 1.848 42.684 40.800 0.059 0.000 1.195 563 D HN 0.369 nan 8.370 nan 0.000 0.477 564 S N 0.366 116.099 115.700 0.054 0.000 2.564 564 S HA 0.177 4.641 4.470 -0.009 0.000 0.278 564 S C 0.841 175.479 174.600 0.063 0.000 1.333 564 S CA -0.362 57.869 58.200 0.052 0.000 1.048 564 S CB 0.176 63.403 63.200 0.044 0.000 0.900 564 S HN 0.352 nan 8.310 nan 0.000 0.505 565 L N 4.507 125.771 121.223 0.068 0.000 2.808 565 L HA 0.342 4.677 4.340 -0.009 0.000 0.246 565 L C -0.172 176.712 176.870 0.024 0.000 1.153 565 L CA -0.168 54.714 54.840 0.069 0.000 0.956 565 L CB -0.015 42.123 42.059 0.132 0.000 1.270 565 L HN 0.485 nan 8.230 nan 0.000 0.528 566 L N 2.995 124.228 121.223 0.018 0.000 2.416 566 L HA 0.197 4.531 4.340 -0.009 0.000 0.272 566 L C -1.563 175.280 176.870 -0.044 0.000 1.161 566 L CA -1.446 53.391 54.840 -0.007 0.000 0.845 566 L CB 0.162 42.228 42.059 0.011 0.000 1.119 566 L HN -0.054 nan 8.230 nan 0.000 0.464 567 P HA 0.020 nan 4.420 nan 0.000 0.274 567 P C -0.877 176.407 177.300 -0.027 0.000 1.231 567 P CA -0.487 62.544 63.100 -0.115 0.000 0.790 567 P CB 0.813 32.450 31.700 -0.104 0.000 0.951 568 D N 1.521 121.933 120.400 0.020 0.000 2.348 568 D HA 0.152 4.786 4.640 -0.009 0.000 0.259 568 D C -0.564 175.862 176.300 0.211 0.000 1.296 568 D CA 0.130 54.228 54.000 0.163 0.000 0.931 568 D CB 0.050 41.003 40.800 0.255 0.000 1.067 568 D HN -0.042 nan 8.370 nan 0.000 0.503 569 V N 5.811 125.823 119.914 0.163 0.000 2.459 569 V HA 0.540 4.655 4.120 -0.009 0.000 0.295 569 V C -0.429 175.779 176.094 0.189 0.000 1.029 569 V CA -0.620 61.711 62.300 0.050 0.000 0.874 569 V CB 1.025 32.839 31.823 -0.016 0.000 0.985 569 V HN 0.443 nan 8.190 nan 0.000 0.438 570 Y N 0.884 121.174 120.300 -0.017 0.000 2.641 570 Y HA 0.695 5.240 4.550 -0.008 0.000 0.333 570 Y C -0.758 175.150 175.900 0.013 0.000 1.174 570 Y CA -1.310 56.801 58.100 0.019 0.000 1.057 570 Y CB 1.223 39.721 38.460 0.063 0.000 1.322 570 Y HN 0.524 nan 8.280 nan 0.000 0.457 571 E N 1.277 121.585 120.200 0.181 0.000 2.343 571 E HA 0.253 4.597 4.350 -0.009 0.000 0.269 571 E C -1.454 175.350 176.600 0.339 0.000 1.047 571 E CA -0.514 55.966 56.400 0.134 0.000 0.874 571 E CB 0.677 30.450 29.700 0.122 0.000 1.033 571 E HN 0.539 nan 8.360 nan 0.000 0.409 572 W N 4.161 125.485 121.300 0.039 0.000 2.438 572 W HA 0.328 4.984 4.660 -0.007 0.000 0.324 572 W C -1.523 175.027 176.519 0.052 0.000 1.119 572 W CA -2.241 55.142 57.345 0.064 0.000 1.221 572 W CB 0.122 29.594 29.460 0.020 0.000 1.253 572 W HN 0.536 nan 8.180 nan 0.000 0.555 573 P HA 0.000 nan 4.420 nan 0.000 0.216 573 P CA 0.000 63.157 63.100 0.095 0.000 0.800 573 P CB 0.000 31.723 31.700 0.038 0.000 0.726