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 1jqk_1_E DATA FIRST_RESID 28 DATA SEQUENCE ETAWHRYEKQ QPQCGFGSAG LCCRICLKGP CRIDPFGEGP KYGVCGADRD DATA SEQUENCE TIVARHLVRM IAAGTAAHSE HGRHIALAMQ HISQGELHDY SIRDEAKLYA DATA SEQUENCE IAKTLGVATE GRGLLAIVGD LAAITLGDFQ NQDYDKPCAW LAASLTPRRV DATA SEQUENCE KRLGDLGLLP HNIDASVAQT MSRTHVGCDA DPTNLILGGL RVAMADLDGS DATA SEQUENCE MLATELSDAL FGTPQPVVSA ANLGVMKRGA VNIAVNGHNP MLSDIICDVA DATA SEQUENCE ADLRDEAIAA GAAEGINIIG ICCTGHEVMM RHGVPLATNY LSQELPILTG DATA SEQUENCE ALEAMVVDVQ CIMPSLPRIA ECFHTQIITT DKHNKISGAT HVPFDEHKAV DATA SEQUENCE ETAKTIIRMA IAAFGRRDPN RVAIPAFKQK SIVGFSAEAV VAALAKVNAD DATA SEQUENCE DPLKPLVDNV VNGNIQGIVL FVGCNTTKVQ QDSAYVDLAK SLAKRNVLVL DATA SEQUENCE ATGCAAGAFA KAGLMTSEAT TQYAGEGLKG VLSAIGTAAG LGGPLPLVMH DATA SEQUENCE MGSCVDNSRA VALATALANK LGVDLSDLPL VASAPECMSE KALAIGSWAV DATA SEQUENCE TIGLPTHVGS VPPVIGSQIV TKLVTETAKD LVGGYFIVDT DPKSAGDKLY DATA SEQUENCE AAIQERRAGL 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 28 E HA 0.000 nan 4.350 nan 0.000 0.291 28 E C 0.000 176.574 176.600 -0.043 0.000 1.382 28 E CA 0.000 56.497 56.400 0.162 0.000 0.976 28 E CB 0.000 29.783 29.700 0.138 0.000 0.812 29 T N 1.463 115.801 114.554 -0.360 0.000 2.852 29 T HA 0.603 4.953 4.350 0.000 0.000 0.281 29 T C 1.293 175.913 174.700 -0.135 0.000 0.993 29 T CA 0.457 62.391 62.100 -0.277 0.000 0.933 29 T CB 1.101 69.767 68.868 -0.337 0.000 1.187 29 T HN 0.551 nan 8.240 nan 0.000 0.559 30 A N 0.351 123.060 122.820 -0.184 0.000 1.930 30 A HA -0.016 4.304 4.320 0.000 0.000 0.217 30 A C 2.272 179.764 177.584 -0.154 0.000 1.175 30 A CA 1.079 52.944 52.037 -0.288 0.000 0.627 30 A CB -0.732 17.889 19.000 -0.632 0.000 0.815 30 A HN 0.901 nan 8.150 nan 0.000 0.443 31 W N -0.210 121.091 121.300 0.002 0.000 2.388 31 W HA -0.124 4.536 4.660 0.000 0.000 0.294 31 W C 2.269 178.967 176.519 0.298 0.000 1.212 31 W CA 1.283 58.716 57.345 0.147 0.000 1.271 31 W CB -0.977 28.553 29.460 0.116 0.000 1.126 31 W HN 0.661 nan 8.180 nan 0.000 0.535 32 H N -0.202 119.049 119.070 0.301 0.000 2.256 32 H HA -0.083 4.473 4.556 0.000 0.000 0.299 32 H C 2.444 177.844 175.328 0.121 0.000 1.071 32 H CA 1.158 57.312 56.048 0.176 0.000 1.280 32 H CB -0.289 29.550 29.762 0.129 0.000 1.370 32 H HN -0.059 nan 8.280 nan 0.000 0.490 33 R N 0.229 120.871 120.500 0.236 0.000 2.133 33 R HA -0.243 4.097 4.340 0.000 0.000 0.247 33 R C 2.346 178.720 176.300 0.122 0.000 1.151 33 R CA 1.882 58.060 56.100 0.129 0.000 0.971 33 R CB -0.537 29.808 30.300 0.074 0.000 0.866 33 R HN 0.420 nan 8.270 nan 0.000 0.447 34 Y N 2.051 122.382 120.300 0.051 0.000 2.145 34 Y HA -0.213 4.337 4.550 0.000 0.000 0.286 34 Y C 2.113 178.047 175.900 0.057 0.000 1.145 34 Y CA 1.492 59.614 58.100 0.035 0.000 1.148 34 Y CB -0.138 38.337 38.460 0.023 0.000 0.981 34 Y HN -0.044 nan 8.280 nan 0.000 0.507 35 E N 0.901 121.027 120.200 -0.123 0.000 2.058 35 E HA -0.216 4.135 4.350 0.000 0.000 0.194 35 E C 2.002 178.493 176.600 -0.183 0.000 0.997 35 E CA 1.771 58.041 56.400 -0.216 0.000 0.801 35 E CB -0.346 29.350 29.700 -0.006 0.000 0.746 35 E HN 0.591 nan 8.360 nan 0.000 0.450 36 K N 0.568 120.923 120.400 -0.075 0.000 2.280 36 K HA -0.112 4.208 4.320 0.000 0.000 0.202 36 K C 1.991 178.546 176.600 -0.076 0.000 1.047 36 K CA 0.685 56.940 56.287 -0.053 0.000 0.942 36 K CB 0.045 32.542 32.500 -0.005 0.000 0.739 36 K HN 0.050 nan 8.250 nan 0.000 0.457 37 Q N 0.523 120.252 119.800 -0.118 0.000 2.389 37 Q HA 0.014 4.354 4.340 0.000 0.000 0.204 37 Q C 0.258 176.177 176.000 -0.134 0.000 0.944 37 Q CA 0.682 56.425 55.803 -0.099 0.000 0.908 37 Q CB 0.297 28.997 28.738 -0.064 0.000 1.002 37 Q HN 0.308 nan 8.270 nan 0.000 0.493 38 Q N 2.158 121.827 119.800 -0.219 0.000 2.313 38 Q HA 0.173 4.513 4.340 0.000 0.000 0.266 38 Q C -1.882 174.060 176.000 -0.097 0.000 0.989 38 Q CA -1.016 54.675 55.803 -0.187 0.000 0.890 38 Q CB 0.317 28.905 28.738 -0.251 0.000 1.200 38 Q HN 0.161 nan 8.270 nan 0.000 0.396 39 P HA 0.187 nan 4.420 nan 0.000 0.292 39 P C -0.769 176.513 177.300 -0.030 0.000 1.287 39 P CA -0.445 62.627 63.100 -0.048 0.000 0.800 39 P CB 1.127 32.812 31.700 -0.026 0.000 0.945 40 Q N 1.013 120.800 119.800 -0.021 0.000 2.373 40 Q HA 0.155 4.495 4.340 0.000 0.000 0.255 40 Q C 0.288 176.298 176.000 0.017 0.000 0.980 40 Q CA -0.402 55.404 55.803 0.005 0.000 0.882 40 Q CB 0.669 29.424 28.738 0.029 0.000 1.249 40 Q HN 0.556 nan 8.270 nan 0.000 0.438 41 C N 2.508 121.827 119.300 0.031 0.000 2.378 41 C HA -0.005 4.455 4.460 0.000 0.000 0.395 41 C C 1.825 176.837 174.990 0.038 0.000 1.476 41 C CA 0.564 59.616 59.018 0.057 0.000 1.541 41 C CB -0.765 27.023 27.740 0.081 0.000 2.524 41 C HN 0.999 nan 8.230 nan 0.000 0.595 42 G N 3.547 112.352 108.800 0.008 0.000 2.408 42 G HA2 -0.065 3.895 3.960 0.000 0.000 0.215 42 G HA3 -0.065 3.895 3.960 0.000 0.000 0.215 42 G C 1.143 175.962 174.900 -0.135 0.000 1.156 42 G CA 0.492 45.534 45.100 -0.096 0.000 0.793 42 G HN 0.772 nan 8.290 nan 0.000 0.535 43 F N 1.692 121.615 119.950 -0.045 0.000 2.134 43 F HA 0.014 4.541 4.527 0.000 0.000 0.299 43 F C 2.887 178.638 175.800 -0.082 0.000 1.097 43 F CA 1.131 59.089 58.000 -0.070 0.000 1.264 43 F CB -0.432 38.525 39.000 -0.072 0.000 1.001 43 F HN 0.192 nan 8.300 nan 0.000 0.479 44 G N -0.749 108.121 108.800 0.116 0.000 2.453 44 G HA2 -0.257 3.703 3.960 0.000 0.000 0.215 44 G HA3 -0.257 3.703 3.960 0.000 0.000 0.215 44 G C 1.850 176.737 174.900 -0.022 0.000 1.201 44 G CA 1.109 46.214 45.100 0.008 0.000 0.784 44 G HN 0.322 nan 8.290 nan 0.000 0.545 45 S N 1.056 116.751 115.700 -0.008 0.000 2.392 45 S HA -0.160 4.310 4.470 0.000 0.000 0.232 45 S C 2.577 177.159 174.600 -0.029 0.000 1.041 45 S CA 1.473 59.664 58.200 -0.015 0.000 1.026 45 S CB -0.361 62.831 63.200 -0.013 0.000 0.845 45 S HN 0.632 nan 8.310 nan 0.000 0.465 46 A N -0.027 122.768 122.820 -0.043 0.000 2.169 46 A HA 0.459 4.779 4.320 0.000 0.000 0.212 46 A C 1.726 179.285 177.584 -0.041 0.000 1.153 46 A CA 0.980 52.987 52.037 -0.051 0.000 0.756 46 A CB -0.734 18.212 19.000 -0.090 0.000 0.813 46 A HN 1.024 nan 8.150 nan 0.000 0.471 47 G N -1.142 107.628 108.800 -0.050 0.000 2.143 47 G HA2 -0.215 3.745 3.960 0.000 0.000 0.248 47 G HA3 -0.215 3.745 3.960 0.000 0.000 0.248 47 G C 0.336 175.207 174.900 -0.049 0.000 0.991 47 G CA 0.377 45.429 45.100 -0.078 0.000 0.689 47 G HN 0.521 nan 8.290 nan 0.000 0.522 48 L N 0.179 121.404 121.223 0.004 0.000 2.928 48 L HA 0.464 4.805 4.340 0.000 0.000 0.236 48 L C 0.946 177.858 176.870 0.070 0.000 1.290 48 L CA -0.274 54.601 54.840 0.058 0.000 1.099 48 L CB 0.250 42.381 42.059 0.120 0.000 1.437 48 L HN 0.408 nan 8.230 nan 0.000 0.493 49 C N -0.545 118.742 119.300 -0.022 0.000 2.888 49 C HA 0.722 5.182 4.460 0.000 0.000 0.308 49 C C -0.797 174.136 174.990 -0.096 0.000 1.213 49 C CA -1.059 57.917 59.018 -0.070 0.000 1.461 49 C CB 1.382 29.081 27.740 -0.067 0.000 1.934 49 C HN 0.528 nan 8.230 nan 0.000 0.474 50 C N 5.889 125.141 119.300 -0.080 0.000 2.516 50 C HA 0.685 5.145 4.460 0.000 0.000 0.338 50 C C 0.198 175.158 174.990 -0.050 0.000 1.132 50 C CA -0.431 58.554 59.018 -0.056 0.000 1.310 50 C CB 0.532 28.252 27.740 -0.034 0.000 1.898 50 C HN 1.054 nan 8.230 nan 0.000 0.452 51 R N 4.434 124.914 120.500 -0.033 0.000 2.700 51 R HA 0.283 4.623 4.340 0.000 0.000 0.377 51 R C 1.061 177.346 176.300 -0.025 0.000 1.130 51 R CA -0.160 55.921 56.100 -0.031 0.000 1.055 51 R CB 0.226 30.511 30.300 -0.025 0.000 1.387 51 R HN 0.776 nan 8.270 nan 0.000 0.580 52 I N 0.570 121.123 120.570 -0.030 0.000 2.756 52 I HA -0.174 3.996 4.170 0.000 0.000 0.262 52 I C 1.107 177.171 176.117 -0.088 0.000 1.225 52 I CA 0.707 61.980 61.300 -0.046 0.000 1.472 52 I CB -0.014 37.956 38.000 -0.049 0.000 1.094 52 I HN 0.351 nan 8.210 nan 0.000 0.454 53 C N -2.368 116.885 119.300 -0.079 0.000 3.291 53 C HA 0.368 4.828 4.460 0.000 0.000 0.316 53 C C 1.185 176.142 174.990 -0.055 0.000 1.391 53 C CA -1.102 57.864 59.018 -0.086 0.000 1.394 53 C CB 0.975 28.643 27.740 -0.120 0.000 1.744 53 C HN 0.180 nan 8.230 nan 0.000 0.461 54 L N 0.703 121.900 121.223 -0.044 0.000 2.465 54 L HA 0.026 4.366 4.340 0.000 0.000 0.224 54 L C 2.344 179.194 176.870 -0.033 0.000 1.145 54 L CA 0.946 55.767 54.840 -0.032 0.000 0.834 54 L CB -0.543 41.503 42.059 -0.022 0.000 0.944 54 L HN 0.802 nan 8.230 nan 0.000 0.451 55 K N 0.471 120.848 120.400 -0.038 0.000 2.515 55 K HA 0.000 4.321 4.320 0.000 0.000 0.196 55 K C 1.219 177.796 176.600 -0.038 0.000 1.038 55 K CA 0.331 56.597 56.287 -0.034 0.000 0.967 55 K CB 0.030 32.510 32.500 -0.033 0.000 0.780 55 K HN 0.351 nan 8.250 nan 0.000 0.483 56 G N 1.979 110.753 108.800 -0.044 0.000 2.606 56 G HA2 0.245 4.205 3.960 0.000 0.000 0.262 56 G HA3 0.245 4.205 3.960 0.000 0.000 0.262 56 G C -2.493 172.375 174.900 -0.053 0.000 1.394 56 G CA -0.901 44.169 45.100 -0.051 0.000 1.044 56 G HN -0.036 nan 8.290 nan 0.000 0.553 57 P HA 0.311 nan 4.420 nan 0.000 0.282 57 P C -0.668 176.570 177.300 -0.103 0.000 1.262 57 P CA -0.248 62.804 63.100 -0.079 0.000 0.773 57 P CB 0.792 32.442 31.700 -0.084 0.000 0.879 58 C N 5.031 124.275 119.300 -0.093 0.000 2.369 58 C HA 0.506 4.966 4.460 0.000 0.000 0.358 58 C C 1.111 176.018 174.990 -0.140 0.000 1.274 58 C CA -0.483 58.475 59.018 -0.100 0.000 1.935 58 C CB -0.178 27.528 27.740 -0.056 0.000 2.431 58 C HN 0.620 nan 8.230 nan 0.000 0.545 59 R N 2.671 123.050 120.500 -0.202 0.000 2.854 59 R HA 0.813 5.153 4.340 0.000 0.000 0.271 59 R C -1.507 174.714 176.300 -0.130 0.000 0.996 59 R CA -0.719 55.224 56.100 -0.262 0.000 0.961 59 R CB 1.036 30.881 30.300 -0.758 0.000 1.182 59 R HN 0.400 nan 8.270 nan 0.000 0.479 60 I N 1.610 122.183 120.570 0.006 0.000 2.406 60 I HA 0.149 4.319 4.170 0.000 0.000 0.290 60 I C -0.693 175.476 176.117 0.087 0.000 0.999 60 I CA -0.837 60.471 61.300 0.012 0.000 1.124 60 I CB 1.381 39.371 38.000 -0.017 0.000 1.289 60 I HN 0.736 nan 8.210 nan 0.000 0.441 61 D N 9.688 130.092 120.400 0.005 0.000 2.365 61 D HA 0.241 4.881 4.640 0.000 0.000 0.237 61 D C -1.284 174.861 176.300 -0.258 0.000 1.190 61 D CA -1.732 52.226 54.000 -0.069 0.000 0.867 61 D CB 1.424 42.209 40.800 -0.024 0.000 1.050 61 D HN 0.242 nan 8.370 nan 0.000 0.491 62 P HA -0.205 nan 4.420 nan 0.000 0.214 62 P C 0.820 177.905 177.300 -0.358 0.000 1.163 62 P CA 1.557 64.348 63.100 -0.515 0.000 0.889 62 P CB -0.001 31.235 31.700 -0.774 0.000 0.790 63 F N -1.159 118.775 119.950 -0.027 0.000 2.534 63 F HA 0.505 5.032 4.527 0.000 0.000 0.274 63 F C 2.330 178.118 175.800 -0.020 0.000 0.917 63 F CA 0.173 58.157 58.000 -0.026 0.000 1.145 63 F CB -1.949 37.034 39.000 -0.029 0.000 1.145 63 F HN -0.199 nan 8.300 nan 0.000 0.746 64 G N 1.795 110.877 108.800 0.471 0.000 3.241 64 G HA2 -0.157 3.803 3.960 0.000 0.000 0.197 64 G HA3 -0.157 3.803 3.960 0.000 0.000 0.197 64 G C 0.344 175.306 174.900 0.102 0.000 1.198 64 G CA 0.664 45.910 45.100 0.243 0.000 1.156 64 G HN 0.719 nan 8.290 nan 0.000 0.516 65 E N -2.291 117.945 120.200 0.061 0.000 2.038 65 E HA -0.223 4.127 4.350 0.000 0.000 0.181 65 E C 0.902 177.502 176.600 0.000 0.000 1.383 65 E CA 0.220 56.626 56.400 0.010 0.000 0.677 65 E CB -1.766 27.942 29.700 0.014 0.000 1.051 65 E HN 0.445 nan 8.360 nan 0.000 0.317 66 G N 1.716 110.511 108.800 -0.008 0.000 3.329 66 G HA2 0.410 4.370 3.960 0.000 0.000 0.180 66 G HA3 0.410 4.370 3.960 0.000 0.000 0.180 66 G C -2.136 172.739 174.900 -0.041 0.000 1.640 66 G CA -0.234 44.861 45.100 -0.008 0.000 1.018 66 G HN 0.345 nan 8.290 nan 0.000 0.581 67 P HA 0.397 nan 4.420 nan 0.000 0.282 67 P C -0.845 176.379 177.300 -0.126 0.000 1.262 67 P CA -0.084 62.975 63.100 -0.069 0.000 0.773 67 P CB 2.091 33.757 31.700 -0.056 0.000 0.879 68 K N 1.872 122.135 120.400 -0.228 0.000 2.360 68 K HA 0.237 4.557 4.320 0.000 0.000 0.196 68 K C -0.067 176.208 176.600 -0.543 0.000 1.049 68 K CA 0.453 56.475 56.287 -0.441 0.000 1.049 68 K CB 0.181 32.277 32.500 -0.672 0.000 0.881 68 K HN 0.506 nan 8.250 nan 0.000 0.542 69 Y N -1.631 118.657 120.300 -0.021 0.000 2.638 69 Y HA 0.575 5.125 4.550 0.000 0.000 0.339 69 Y C 0.741 176.622 175.900 -0.031 0.000 1.084 69 Y CA -1.833 56.254 58.100 -0.022 0.000 1.068 69 Y CB 1.654 40.104 38.460 -0.017 0.000 1.294 69 Y HN -0.127 nan 8.280 nan 0.000 0.480 70 G N -0.133 108.766 108.800 0.165 0.000 2.477 70 G HA2 0.373 4.333 3.960 0.000 0.000 0.304 70 G HA3 0.373 4.333 3.960 0.000 0.000 0.304 70 G C 0.500 175.427 174.900 0.044 0.000 1.175 70 G CA -0.606 44.529 45.100 0.058 0.000 0.907 70 G HN 0.535 nan 8.290 nan 0.000 0.509 71 V N 0.240 120.160 119.914 0.010 0.000 2.794 71 V HA -0.242 3.878 4.120 0.000 0.000 0.260 71 V C 2.702 178.789 176.094 -0.011 0.000 1.103 71 V CA 2.015 64.316 62.300 0.001 0.000 1.125 71 V CB -1.034 30.781 31.823 -0.013 0.000 0.702 71 V HN 0.924 nan 8.190 nan 0.000 0.494 72 C N -1.414 117.876 119.300 -0.017 0.000 2.634 72 C HA 0.647 5.107 4.460 0.000 0.000 0.268 72 C C 1.988 176.946 174.990 -0.053 0.000 1.322 72 C CA 0.111 59.109 59.018 -0.033 0.000 1.737 72 C CB -0.171 27.548 27.740 -0.034 0.000 1.976 72 C HN 0.747 nan 8.230 nan 0.000 0.547 73 G N 0.449 109.214 108.800 -0.058 0.000 2.211 73 G HA2 0.172 4.132 3.960 0.000 0.000 0.201 73 G HA3 0.172 4.132 3.960 0.000 0.000 0.201 73 G C 0.262 175.079 174.900 -0.139 0.000 0.997 73 G CA 0.094 45.096 45.100 -0.163 0.000 0.652 73 G HN 1.393 nan 8.290 nan 0.000 0.500 74 A N 1.379 124.184 122.820 -0.024 0.000 2.511 74 A HA 0.498 4.818 4.320 0.000 0.000 0.242 74 A C 0.618 178.284 177.584 0.137 0.000 1.069 74 A CA 0.811 52.864 52.037 0.025 0.000 0.763 74 A CB 0.129 19.142 19.000 0.021 0.000 1.001 74 A HN 0.687 nan 8.150 nan 0.000 0.498 75 D N 2.208 122.704 120.400 0.160 0.000 2.385 75 D HA 0.190 4.830 4.640 0.000 0.000 0.254 75 D C 1.237 177.605 176.300 0.112 0.000 1.053 75 D CA -0.653 53.497 54.000 0.250 0.000 0.992 75 D CB 0.612 41.586 40.800 0.291 0.000 1.145 75 D HN 0.646 nan 8.370 nan 0.000 0.523 76 R N 0.580 121.122 120.500 0.070 0.000 2.133 76 R HA -0.218 4.122 4.340 0.000 0.000 0.247 76 R C 0.523 176.843 176.300 0.032 0.000 1.151 76 R CA 1.475 57.592 56.100 0.028 0.000 0.971 76 R CB -0.672 29.625 30.300 -0.004 0.000 0.866 76 R HN 0.390 nan 8.270 nan 0.000 0.447 77 D N 0.722 121.148 120.400 0.043 0.000 2.084 77 D HA -0.096 4.544 4.640 0.000 0.000 0.194 77 D C 1.867 178.192 176.300 0.041 0.000 0.990 77 D CA 1.988 56.011 54.000 0.039 0.000 0.826 77 D CB -0.525 40.301 40.800 0.043 0.000 0.971 77 D HN 0.281 nan 8.370 nan 0.000 0.453 78 T N 2.030 116.612 114.554 0.047 0.000 2.595 78 T HA -0.140 4.210 4.350 0.000 0.000 0.264 78 T C 2.290 177.015 174.700 0.042 0.000 1.058 78 T CA 0.831 62.956 62.100 0.042 0.000 1.166 78 T CB -0.479 68.412 68.868 0.038 0.000 0.863 78 T HN 0.130 nan 8.240 nan 0.000 0.415 79 I N 0.867 121.461 120.570 0.040 0.000 2.113 79 I HA -0.229 3.941 4.170 0.000 0.000 0.242 79 I C 2.507 178.649 176.117 0.042 0.000 1.064 79 I CA 1.349 62.669 61.300 0.033 0.000 1.320 79 I CB -0.625 37.387 38.000 0.021 0.000 1.028 79 I HN 0.112 nan 8.210 nan 0.000 0.406 80 V N 0.829 120.764 119.914 0.035 0.000 2.407 80 V HA -0.270 3.850 4.120 0.000 0.000 0.248 80 V C 2.623 178.756 176.094 0.064 0.000 1.055 80 V CA 1.862 64.187 62.300 0.041 0.000 1.049 80 V CB -0.968 30.868 31.823 0.021 0.000 0.662 80 V HN 0.510 nan 8.190 nan 0.000 0.455 81 A N 0.538 123.390 122.820 0.052 0.000 1.855 81 A HA -0.204 4.116 4.320 0.000 0.000 0.215 81 A C 2.346 179.964 177.584 0.056 0.000 1.191 81 A CA 1.778 53.845 52.037 0.049 0.000 0.613 81 A CB -0.470 18.556 19.000 0.043 0.000 0.829 81 A HN 0.503 nan 8.150 nan 0.000 0.442 82 R N -1.361 119.176 120.500 0.062 0.000 2.091 82 R HA -0.182 4.158 4.340 0.000 0.000 0.238 82 R C 2.233 178.573 176.300 0.067 0.000 1.136 82 R CA 1.756 57.892 56.100 0.059 0.000 0.959 82 R CB -0.675 29.659 30.300 0.057 0.000 0.856 82 R HN 0.799 nan 8.270 nan 0.000 0.437 83 H N 0.280 119.350 119.070 -0.000 0.000 2.353 83 H HA -0.024 4.532 4.556 0.000 0.000 0.300 83 H C 1.822 177.143 175.328 -0.013 0.000 1.090 83 H CA 1.281 57.325 56.048 -0.007 0.000 1.327 83 H CB 0.017 29.773 29.762 -0.010 0.000 1.383 83 H HN 0.017 nan 8.280 nan 0.000 0.508 84 L N 0.039 121.265 121.223 0.004 0.000 2.017 84 L HA -0.141 4.199 4.340 0.000 0.000 0.208 84 L C 2.381 179.204 176.870 -0.078 0.000 1.073 84 L CA 1.241 56.047 54.840 -0.057 0.000 0.745 84 L CB -0.885 41.167 42.059 -0.012 0.000 0.894 84 L HN 0.295 nan 8.230 nan 0.000 0.432 85 V N 0.019 119.914 119.914 -0.032 0.000 2.255 85 V HA -0.299 3.821 4.120 0.000 0.000 0.247 85 V C 2.632 178.701 176.094 -0.042 0.000 1.051 85 V CA 1.758 64.050 62.300 -0.014 0.000 1.018 85 V CB -0.574 31.259 31.823 0.017 0.000 0.641 85 V HN 0.436 nan 8.190 nan 0.000 0.445 86 R N -0.924 119.535 120.500 -0.068 0.000 2.200 86 R HA -0.101 4.240 4.340 0.000 0.000 0.234 86 R C 2.257 178.482 176.300 -0.127 0.000 1.127 86 R CA 1.379 57.431 56.100 -0.081 0.000 0.989 86 R CB -0.294 29.962 30.300 -0.074 0.000 0.869 86 R HN 0.485 nan 8.270 nan 0.000 0.459 87 M N -0.246 119.238 119.600 -0.193 0.000 2.200 87 M HA -0.095 4.385 4.480 0.000 0.000 0.265 87 M C 2.040 178.277 176.300 -0.104 0.000 1.066 87 M CA 1.494 56.681 55.300 -0.188 0.000 1.127 87 M CB -0.029 32.426 32.600 -0.241 0.000 1.379 87 M HN 0.130 nan 8.290 nan 0.000 0.420 88 I N 0.010 120.539 120.570 -0.068 0.000 2.202 88 I HA -0.225 3.945 4.170 0.000 0.000 0.242 88 I C 2.699 178.812 176.117 -0.006 0.000 1.091 88 I CA 1.149 62.438 61.300 -0.019 0.000 1.368 88 I CB -0.622 37.389 38.000 0.017 0.000 1.058 88 I HN 0.221 nan 8.210 nan 0.000 0.410 89 A N 0.943 123.756 122.820 -0.011 0.000 1.908 89 A HA -0.225 4.095 4.320 0.000 0.000 0.218 89 A C 2.532 180.106 177.584 -0.017 0.000 1.181 89 A CA 2.091 54.126 52.037 -0.002 0.000 0.627 89 A CB -0.843 18.157 19.000 -0.000 0.000 0.818 89 A HN 0.457 nan 8.150 nan 0.000 0.445 90 A N -0.671 122.124 122.820 -0.041 0.000 1.930 90 A HA 0.156 4.476 4.320 0.000 0.000 0.217 90 A C 2.389 179.932 177.584 -0.069 0.000 1.175 90 A CA 1.837 53.842 52.037 -0.054 0.000 0.627 90 A CB -1.278 17.680 19.000 -0.071 0.000 0.815 90 A HN 0.731 nan 8.150 nan 0.000 0.443 91 G N -1.219 107.538 108.800 -0.073 0.000 2.408 91 G HA2 -0.109 3.851 3.960 0.000 0.000 0.217 91 G HA3 -0.109 3.851 3.960 0.000 0.000 0.217 91 G C 1.555 176.415 174.900 -0.067 0.000 1.150 91 G CA 1.585 46.620 45.100 -0.108 0.000 0.776 91 G HN 0.418 nan 8.290 nan 0.000 0.542 92 T N 1.710 116.273 114.554 0.015 0.000 2.674 92 T HA -0.006 4.345 4.350 0.000 0.000 0.265 92 T C 2.836 177.557 174.700 0.035 0.000 1.039 92 T CA 1.552 63.690 62.100 0.063 0.000 1.150 92 T CB -0.426 68.469 68.868 0.046 0.000 0.864 92 T HN 0.353 nan 8.240 nan 0.000 0.427 93 A N 1.284 124.107 122.820 0.006 0.000 1.978 93 A HA 0.089 4.409 4.320 0.000 0.000 0.220 93 A C 2.564 180.145 177.584 -0.004 0.000 1.170 93 A CA 1.919 53.962 52.037 0.011 0.000 0.636 93 A CB -0.961 18.040 19.000 0.001 0.000 0.810 93 A HN 0.521 nan 8.150 nan 0.000 0.448 94 A N -1.048 121.735 122.820 -0.061 0.000 1.872 94 A HA -0.107 4.213 4.320 0.000 0.000 0.214 94 A C 1.962 179.517 177.584 -0.049 0.000 1.187 94 A CA 1.607 53.575 52.037 -0.114 0.000 0.614 94 A CB -0.852 18.002 19.000 -0.242 0.000 0.826 94 A HN 0.720 nan 8.150 nan 0.000 0.442 95 H N -0.151 118.927 119.070 0.014 0.000 2.326 95 H HA -0.111 4.445 4.556 0.000 0.000 0.301 95 H C 2.816 178.172 175.328 0.046 0.000 1.081 95 H CA 1.637 57.718 56.048 0.055 0.000 1.334 95 H CB 0.086 29.886 29.762 0.063 0.000 1.385 95 H HN 0.677 nan 8.280 nan 0.000 0.504 96 S N 0.805 116.605 115.700 0.165 0.000 2.365 96 S HA -0.268 4.203 4.470 0.000 0.000 0.225 96 S C 2.095 176.794 174.600 0.164 0.000 1.039 96 S CA 1.800 60.099 58.200 0.165 0.000 1.033 96 S CB -0.224 63.059 63.200 0.138 0.000 0.887 96 S HN 0.372 nan 8.310 nan 0.000 0.447 97 E N 0.846 121.078 120.200 0.053 0.000 2.209 97 E HA -0.188 4.162 4.350 0.000 0.000 0.196 97 E C 1.813 178.218 176.600 -0.324 0.000 0.993 97 E CA 1.628 57.937 56.400 -0.152 0.000 0.819 97 E CB -0.626 28.995 29.700 -0.131 0.000 0.745 97 E HN 0.913 nan 8.360 nan 0.000 0.477 98 H N -1.727 117.242 119.070 -0.168 0.000 2.333 98 H HA -0.019 4.537 4.556 0.000 0.000 0.302 98 H C 1.925 177.221 175.328 -0.055 0.000 1.075 98 H CA 1.035 57.035 56.048 -0.079 0.000 1.348 98 H CB -0.056 29.741 29.762 0.060 0.000 1.393 98 H HN 0.270 nan 8.280 nan 0.000 0.509 99 G N 0.861 109.633 108.800 -0.046 0.000 2.414 99 G HA2 -0.275 3.685 3.960 0.000 0.000 0.215 99 G HA3 -0.275 3.685 3.960 0.000 0.000 0.215 99 G C 1.787 176.634 174.900 -0.087 0.000 1.188 99 G CA 0.445 45.479 45.100 -0.109 0.000 0.783 99 G HN 0.319 nan 8.290 nan 0.000 0.537 100 R N 0.041 120.442 120.500 -0.165 0.000 2.140 100 R HA -0.210 4.130 4.340 0.000 0.000 0.250 100 R C 2.213 178.383 176.300 -0.216 0.000 1.150 100 R CA 2.155 57.949 56.100 -0.510 0.000 0.966 100 R CB -0.709 29.207 30.300 -0.639 0.000 0.869 100 R HN 0.655 nan 8.270 nan 0.000 0.445 101 H N -0.471 118.520 119.070 -0.131 0.000 2.319 101 H HA -0.129 4.427 4.556 0.000 0.000 0.299 101 H C 2.245 177.501 175.328 -0.121 0.000 1.092 101 H CA 1.644 57.634 56.048 -0.097 0.000 1.302 101 H CB -0.057 29.709 29.762 0.007 0.000 1.373 101 H HN 0.249 nan 8.280 nan 0.000 0.497 102 I N 0.477 121.078 120.570 0.052 0.000 2.439 102 I HA -0.181 3.989 4.170 0.000 0.000 0.251 102 I C 2.765 178.829 176.117 -0.089 0.000 1.139 102 I CA 0.612 61.897 61.300 -0.026 0.000 1.438 102 I CB -0.242 37.758 38.000 -0.001 0.000 1.085 102 I HN 0.279 nan 8.210 nan 0.000 0.427 103 A N 1.138 123.897 122.820 -0.102 0.000 1.933 103 A HA -0.120 4.200 4.320 0.000 0.000 0.218 103 A C 2.281 179.779 177.584 -0.143 0.000 1.175 103 A CA 1.296 53.275 52.037 -0.097 0.000 0.628 103 A CB -0.719 18.215 19.000 -0.109 0.000 0.814 103 A HN 0.392 nan 8.150 nan 0.000 0.444 104 L N -1.010 120.091 121.223 -0.204 0.000 2.217 104 L HA -0.115 4.225 4.340 0.000 0.000 0.211 104 L C 2.963 179.582 176.870 -0.418 0.000 1.107 104 L CA 0.716 55.371 54.840 -0.308 0.000 0.783 104 L CB -0.426 41.442 42.059 -0.318 0.000 0.919 104 L HN 0.449 nan 8.230 nan 0.000 0.442 105 A N -0.231 122.412 122.820 -0.294 0.000 1.929 105 A HA -0.162 4.158 4.320 0.000 0.000 0.216 105 A C 2.325 179.810 177.584 -0.166 0.000 1.176 105 A CA 1.125 52.997 52.037 -0.274 0.000 0.628 105 A CB -0.230 18.599 19.000 -0.284 0.000 0.816 105 A HN 0.206 nan 8.150 nan 0.000 0.444 106 M N -0.535 118.989 119.600 -0.127 0.000 2.067 106 M HA -0.198 4.282 4.480 0.000 0.000 0.260 106 M C 2.364 178.643 176.300 -0.036 0.000 1.069 106 M CA 2.031 57.292 55.300 -0.066 0.000 1.117 106 M CB -1.487 31.090 32.600 -0.038 0.000 1.334 106 M HN 0.715 nan 8.290 nan 0.000 0.407 107 Q N -0.075 119.694 119.800 -0.053 0.000 2.096 107 Q HA -0.236 4.104 4.340 0.000 0.000 0.208 107 Q C 1.919 177.977 176.000 0.097 0.000 0.993 107 Q CA 2.015 57.818 55.803 -0.000 0.000 0.862 107 Q CB -0.256 28.463 28.738 -0.032 0.000 0.915 107 Q HN 0.655 nan 8.270 nan 0.000 0.416 108 H N -0.461 118.585 119.070 -0.040 0.000 2.387 108 H HA -0.085 4.471 4.556 0.000 0.000 0.299 108 H C 2.204 177.510 175.328 -0.037 0.000 1.090 108 H CA 1.010 57.037 56.048 -0.034 0.000 1.332 108 H CB 0.099 29.816 29.762 -0.075 0.000 1.386 108 H HN 0.312 nan 8.280 nan 0.000 0.516 109 I N 0.677 121.295 120.570 0.081 0.000 2.179 109 I HA -0.228 3.942 4.170 0.000 0.000 0.242 109 I C 2.304 178.442 176.117 0.036 0.000 1.088 109 I CA 1.322 62.645 61.300 0.038 0.000 1.357 109 I CB -0.227 37.777 38.000 0.008 0.000 1.051 109 I HN 0.255 nan 8.210 nan 0.000 0.409 110 S N -0.116 115.602 115.700 0.030 0.000 2.727 110 S HA -0.054 4.417 4.470 0.000 0.000 0.226 110 S C 1.209 175.828 174.600 0.031 0.000 0.963 110 S CA 0.407 58.620 58.200 0.023 0.000 0.950 110 S CB -0.219 62.987 63.200 0.011 0.000 0.779 110 S HN 0.542 nan 8.310 nan 0.000 0.532 111 Q N -0.500 119.326 119.800 0.043 0.000 2.103 111 Q HA 0.343 4.683 4.340 0.000 0.000 0.219 111 Q C 1.067 177.089 176.000 0.037 0.000 0.784 111 Q CA 0.170 55.995 55.803 0.038 0.000 1.014 111 Q CB 1.052 29.816 28.738 0.043 0.000 1.183 111 Q HN 0.660 nan 8.270 nan 0.000 0.469 112 G N 1.062 109.890 108.800 0.047 0.000 2.176 112 G HA2 -0.275 3.685 3.960 0.000 0.000 0.253 112 G HA3 -0.275 3.685 3.960 0.000 0.000 0.253 112 G C 0.140 175.073 174.900 0.056 0.000 0.979 112 G CA 0.270 45.416 45.100 0.077 0.000 0.641 112 G HN 0.318 nan 8.290 nan 0.000 0.530 113 E N -0.558 119.623 120.200 -0.032 0.000 2.602 113 E HA 0.657 5.007 4.350 0.000 0.000 0.255 113 E C 0.858 177.279 176.600 -0.297 0.000 1.268 113 E CA -0.628 55.670 56.400 -0.171 0.000 1.007 113 E CB 0.378 30.022 29.700 -0.093 0.000 1.208 113 E HN 0.487 nan 8.360 nan 0.000 0.584 114 L N 2.379 123.373 121.223 -0.381 0.000 3.244 114 L HA -0.213 4.128 4.340 0.000 0.000 0.589 114 L C 0.343 177.059 176.870 -0.256 0.000 1.005 114 L CA -0.070 54.607 54.840 -0.271 0.000 1.258 114 L CB -1.058 40.964 42.059 -0.062 0.000 1.311 114 L HN 0.722 nan 8.230 nan 0.000 0.677 115 H N 0.768 119.856 119.070 0.029 0.000 2.539 115 H HA 0.054 4.610 4.556 0.000 0.000 0.269 115 H C 1.027 176.327 175.328 -0.047 0.000 0.980 115 H CA 0.668 56.718 56.048 0.003 0.000 1.152 115 H CB 0.276 30.038 29.762 -0.000 0.000 1.407 115 H HN 0.612 nan 8.280 nan 0.000 0.564 116 D N -0.349 120.012 120.400 -0.065 0.000 2.354 116 D HA 0.035 4.675 4.640 0.000 0.000 0.209 116 D C 0.027 176.101 176.300 -0.378 0.000 1.015 116 D CA 0.361 54.215 54.000 -0.242 0.000 0.867 116 D CB 0.219 40.784 40.800 -0.391 0.000 0.933 116 D HN 0.290 nan 8.370 nan 0.000 0.520 117 Y N -0.017 120.288 120.300 0.009 0.000 2.587 117 Y HA 0.583 5.133 4.550 0.000 0.000 0.337 117 Y C 0.800 176.666 175.900 -0.057 0.000 1.065 117 Y CA -0.788 57.289 58.100 -0.039 0.000 1.126 117 Y CB 2.005 40.424 38.460 -0.068 0.000 1.279 117 Y HN -0.176 nan 8.280 nan 0.000 0.489 118 S N -0.616 115.123 115.700 0.064 0.000 2.655 118 S HA 0.332 4.802 4.470 0.000 0.000 0.263 118 S C -1.805 172.769 174.600 -0.044 0.000 1.091 118 S CA -1.030 57.178 58.200 0.014 0.000 0.865 118 S CB 0.414 63.631 63.200 0.029 0.000 1.146 118 S HN 0.379 nan 8.310 nan 0.000 0.482 119 I N 1.900 122.456 120.570 -0.023 0.000 2.204 119 I HA 0.274 4.444 4.170 0.000 0.000 0.291 119 I C 1.673 177.784 176.117 -0.010 0.000 1.153 119 I CA 0.019 61.302 61.300 -0.029 0.000 1.546 119 I CB -0.792 37.203 38.000 -0.008 0.000 1.490 119 I HN 0.674 nan 8.210 nan 0.000 0.697 120 R N 1.702 122.186 120.500 -0.026 0.000 2.211 120 R HA -0.142 4.198 4.340 0.000 0.000 0.240 120 R C 0.620 176.931 176.300 0.019 0.000 1.144 120 R CA 1.177 57.281 56.100 0.006 0.000 0.992 120 R CB -0.061 30.250 30.300 0.019 0.000 0.869 120 R HN 0.404 nan 8.270 nan 0.000 0.462 121 D N -0.694 119.716 120.400 0.017 0.000 2.443 121 D HA 0.056 4.696 4.640 0.000 0.000 0.281 121 D C -0.250 176.083 176.300 0.055 0.000 1.210 121 D CA -0.071 53.950 54.000 0.035 0.000 0.875 121 D CB 0.428 41.249 40.800 0.035 0.000 1.125 121 D HN 0.079 nan 8.370 nan 0.000 0.503 122 E N 0.657 120.902 120.200 0.075 0.000 2.209 122 E HA -0.188 4.162 4.350 0.000 0.000 0.196 122 E C 2.008 178.729 176.600 0.201 0.000 0.993 122 E CA 1.174 57.657 56.400 0.138 0.000 0.819 122 E CB 0.247 30.046 29.700 0.165 0.000 0.745 122 E HN 0.487 nan 8.360 nan 0.000 0.477 123 A N 1.394 124.288 122.820 0.122 0.000 1.892 123 A HA -0.293 4.027 4.320 0.000 0.000 0.218 123 A C 2.104 179.763 177.584 0.125 0.000 1.188 123 A CA 1.972 54.073 52.037 0.106 0.000 0.631 123 A CB -0.352 18.677 19.000 0.049 0.000 0.822 123 A HN 0.030 nan 8.150 nan 0.000 0.447 124 K N -0.655 119.800 120.400 0.093 0.000 2.103 124 K HA 0.041 4.361 4.320 0.000 0.000 0.204 124 K C 1.759 178.404 176.600 0.076 0.000 1.052 124 K CA 1.078 57.413 56.287 0.079 0.000 0.945 124 K CB -0.482 32.056 32.500 0.063 0.000 0.722 124 K HN 0.354 nan 8.250 nan 0.000 0.443 125 L N -0.278 120.982 121.223 0.062 0.000 2.046 125 L HA -0.173 4.167 4.340 0.000 0.000 0.208 125 L C 1.748 178.573 176.870 -0.075 0.000 1.077 125 L CA 1.586 56.416 54.840 -0.016 0.000 0.747 125 L CB -0.365 41.650 42.059 -0.073 0.000 0.896 125 L HN 0.250 nan 8.230 nan 0.000 0.432 126 Y N -0.860 119.440 120.300 -0.000 0.000 2.145 126 Y HA -0.269 4.282 4.550 0.000 0.000 0.286 126 Y C 2.483 178.375 175.900 -0.013 0.000 1.145 126 Y CA 1.408 59.502 58.100 -0.009 0.000 1.148 126 Y CB -0.905 37.550 38.460 -0.008 0.000 0.981 126 Y HN 0.286 nan 8.280 nan 0.000 0.507 127 A N 0.517 123.421 122.820 0.140 0.000 1.859 127 A HA -0.244 4.077 4.320 0.000 0.000 0.217 127 A C 2.268 179.869 177.584 0.028 0.000 1.198 127 A CA 2.191 54.274 52.037 0.077 0.000 0.629 127 A CB -1.238 17.805 19.000 0.071 0.000 0.830 127 A HN 0.462 nan 8.150 nan 0.000 0.446 128 I N -0.383 120.201 120.570 0.024 0.000 2.069 128 I HA -0.379 3.791 4.170 0.000 0.000 0.237 128 I C 3.050 179.101 176.117 -0.110 0.000 1.053 128 I CA 1.428 62.719 61.300 -0.014 0.000 1.311 128 I CB -0.558 37.470 38.000 0.047 0.000 1.030 128 I HN 0.412 nan 8.210 nan 0.000 0.398 129 A N 0.668 123.423 122.820 -0.109 0.000 1.915 129 A HA -0.373 3.947 4.320 0.000 0.000 0.220 129 A C 2.248 179.767 177.584 -0.108 0.000 1.198 129 A CA 2.678 54.631 52.037 -0.140 0.000 0.647 129 A CB -0.736 18.161 19.000 -0.171 0.000 0.825 129 A HN 0.385 nan 8.150 nan 0.000 0.456 130 K N -0.781 119.588 120.400 -0.052 0.000 2.020 130 K HA -0.148 4.173 4.320 0.000 0.000 0.212 130 K C 2.020 178.579 176.600 -0.067 0.000 1.050 130 K CA 2.524 58.792 56.287 -0.031 0.000 0.929 130 K CB -0.904 31.600 32.500 0.007 0.000 0.714 130 K HN 0.457 nan 8.250 nan 0.000 0.443 131 T N 1.292 115.795 114.554 -0.085 0.000 2.674 131 T HA -0.092 4.258 4.350 0.000 0.000 0.265 131 T C 1.638 176.228 174.700 -0.184 0.000 1.039 131 T CA 1.471 63.503 62.100 -0.114 0.000 1.150 131 T CB -0.233 68.570 68.868 -0.108 0.000 0.864 131 T HN 0.135 nan 8.240 nan 0.000 0.427 132 L N 0.543 121.603 121.223 -0.272 0.000 2.353 132 L HA 0.031 4.372 4.340 0.000 0.000 0.220 132 L C 1.821 178.563 176.870 -0.212 0.000 1.133 132 L CA 0.938 55.575 54.840 -0.338 0.000 0.798 132 L CB -1.022 40.778 42.059 -0.432 0.000 0.922 132 L HN 0.629 nan 8.230 nan 0.000 0.445 133 G N 0.573 109.282 108.800 -0.151 0.000 2.212 133 G HA2 -0.240 3.720 3.960 0.000 0.000 0.255 133 G HA3 -0.240 3.720 3.960 0.000 0.000 0.255 133 G C -0.007 174.836 174.900 -0.095 0.000 1.062 133 G CA 0.310 45.347 45.100 -0.104 0.000 0.815 133 G HN 0.222 nan 8.290 nan 0.000 0.497 134 V N 0.330 120.182 119.914 -0.104 0.000 2.288 134 V HA 0.767 4.887 4.120 0.000 0.000 0.266 134 V C 0.959 177.012 176.094 -0.069 0.000 1.048 134 V CA 0.119 62.364 62.300 -0.091 0.000 0.842 134 V CB 0.314 32.069 31.823 -0.113 0.000 1.064 134 V HN 1.894 nan 8.190 nan 0.000 0.472 135 A N 4.765 127.557 122.820 -0.046 0.000 2.592 135 A HA 0.218 4.538 4.320 0.000 0.000 0.250 135 A C 1.323 178.892 177.584 -0.024 0.000 1.017 135 A CA 1.126 53.147 52.037 -0.025 0.000 0.794 135 A CB -0.095 18.894 19.000 -0.019 0.000 0.917 135 A HN 1.574 nan 8.150 nan 0.000 0.515 136 T N -0.275 114.282 114.554 0.004 0.000 3.003 136 T HA 0.195 4.545 4.350 0.000 0.000 0.261 136 T C 0.450 175.198 174.700 0.080 0.000 1.003 136 T CA 0.353 62.464 62.100 0.018 0.000 0.917 136 T CB -0.232 68.638 68.868 0.004 0.000 1.084 136 T HN 0.747 nan 8.240 nan 0.000 0.522 137 E N 1.594 121.833 120.200 0.065 0.000 2.757 137 E HA 0.278 4.628 4.350 0.000 0.000 0.238 137 E C 1.312 177.940 176.600 0.047 0.000 1.057 137 E CA 0.919 57.354 56.400 0.058 0.000 0.952 137 E CB -0.754 28.966 29.700 0.033 0.000 0.934 137 E HN 0.656 nan 8.360 nan 0.000 0.518 138 G N 4.217 113.052 108.800 0.059 0.000 2.168 138 G HA2 -0.334 3.626 3.960 0.000 0.000 0.263 138 G HA3 -0.334 3.626 3.960 0.000 0.000 0.263 138 G C 0.370 175.294 174.900 0.041 0.000 0.977 138 G CA 0.346 45.472 45.100 0.043 0.000 0.659 138 G HN 0.543 nan 8.290 nan 0.000 0.533 139 R N -0.218 120.309 120.500 0.045 0.000 2.543 139 R HA 0.484 4.824 4.340 0.000 0.000 0.268 139 R C 1.115 177.435 176.300 0.034 0.000 1.067 139 R CA 0.094 56.209 56.100 0.025 0.000 1.142 139 R CB 0.706 31.006 30.300 0.000 0.000 1.110 139 R HN 0.254 nan 8.270 nan 0.000 0.549 140 G N 1.932 110.743 108.800 0.018 0.000 3.636 140 G HA2 0.171 4.131 3.960 0.000 0.000 0.260 140 G HA3 0.171 4.131 3.960 0.000 0.000 0.260 140 G C 0.879 175.787 174.900 0.013 0.000 1.014 140 G CA -0.222 44.892 45.100 0.023 0.000 1.797 140 G HN 0.630 nan 8.290 nan 0.000 0.637 141 L N 0.094 121.322 121.223 0.007 0.000 3.410 141 L HA -0.381 3.959 4.340 0.000 0.000 0.323 141 L C 2.101 178.945 176.870 -0.043 0.000 4.448 141 L CA 2.594 57.418 54.840 -0.026 0.000 0.408 141 L CB -0.888 41.187 42.059 0.026 0.000 3.544 141 L HN 0.349 nan 8.230 nan 0.000 0.555 142 L N -1.333 119.882 121.223 -0.014 0.000 2.291 142 L HA -0.038 4.302 4.340 0.000 0.000 0.214 142 L C 2.544 179.403 176.870 -0.018 0.000 1.120 142 L CA 0.983 55.816 54.840 -0.011 0.000 0.799 142 L CB -0.716 41.347 42.059 0.007 0.000 0.925 142 L HN 0.601 nan 8.230 nan 0.000 0.446 143 A N 0.439 123.247 122.820 -0.021 0.000 1.969 143 A HA -0.119 4.202 4.320 0.000 0.000 0.218 143 A C 2.199 179.758 177.584 -0.042 0.000 1.169 143 A CA 1.208 53.232 52.037 -0.022 0.000 0.635 143 A CB -0.347 18.642 19.000 -0.017 0.000 0.810 143 A HN 0.317 nan 8.150 nan 0.000 0.445 144 I N -0.159 120.369 120.570 -0.070 0.000 2.188 144 I HA -0.160 4.010 4.170 0.000 0.000 0.237 144 I C 2.420 178.485 176.117 -0.086 0.000 1.073 144 I CA 1.376 62.611 61.300 -0.108 0.000 1.359 144 I CB -0.333 37.544 38.000 -0.205 0.000 1.083 144 I HN 0.269 nan 8.210 nan 0.000 0.412 145 V N -0.077 119.791 119.914 -0.076 0.000 3.284 145 V HA -0.094 4.027 4.120 0.000 0.000 0.273 145 V C 1.844 177.923 176.094 -0.025 0.000 1.178 145 V CA 1.867 64.139 62.300 -0.047 0.000 1.177 145 V CB -1.464 30.337 31.823 -0.036 0.000 0.793 145 V HN 0.457 nan 8.190 nan 0.000 0.536 146 G N -0.213 108.572 108.800 -0.025 0.000 2.437 146 G HA2 -0.096 3.864 3.960 0.000 0.000 0.212 146 G HA3 -0.096 3.864 3.960 0.000 0.000 0.212 146 G C 1.064 175.957 174.900 -0.012 0.000 1.174 146 G CA 0.750 45.844 45.100 -0.010 0.000 0.811 146 G HN 0.536 nan 8.290 nan 0.000 0.537 147 D N 0.338 120.722 120.400 -0.028 0.000 2.178 147 D HA -0.005 4.635 4.640 0.000 0.000 0.202 147 D C 2.541 178.821 176.300 -0.034 0.000 0.974 147 D CA 0.332 54.312 54.000 -0.033 0.000 0.841 147 D CB -0.018 40.752 40.800 -0.051 0.000 0.953 147 D HN 0.238 nan 8.370 nan 0.000 0.478 148 L N 0.075 121.278 121.223 -0.033 0.000 2.109 148 L HA -0.047 4.293 4.340 0.000 0.000 0.207 148 L C 2.357 179.261 176.870 0.056 0.000 1.086 148 L CA 0.916 55.749 54.840 -0.011 0.000 0.760 148 L CB -0.346 41.712 42.059 -0.001 0.000 0.910 148 L HN 0.015 nan 8.230 nan 0.000 0.437 149 A N -0.064 122.779 122.820 0.038 0.000 1.969 149 A HA -0.096 4.224 4.320 0.000 0.000 0.218 149 A C 2.453 180.066 177.584 0.049 0.000 1.169 149 A CA 1.569 53.632 52.037 0.043 0.000 0.635 149 A CB -0.455 18.549 19.000 0.008 0.000 0.810 149 A HN 0.400 nan 8.150 nan 0.000 0.445 150 A N -0.258 122.582 122.820 0.034 0.000 1.930 150 A HA 0.095 4.415 4.320 0.000 0.000 0.215 150 A C 2.078 179.694 177.584 0.053 0.000 1.176 150 A CA 1.157 53.215 52.037 0.035 0.000 0.632 150 A CB -0.424 18.585 19.000 0.016 0.000 0.819 150 A HN 0.462 nan 8.150 nan 0.000 0.445 151 I N -0.833 119.762 120.570 0.042 0.000 2.163 151 I HA -0.196 3.974 4.170 0.000 0.000 0.240 151 I C 2.647 178.847 176.117 0.139 0.000 1.081 151 I CA 1.689 63.010 61.300 0.034 0.000 1.353 151 I CB -0.741 37.223 38.000 -0.060 0.000 1.054 151 I HN 0.220 nan 8.210 nan 0.000 0.407 152 T N 1.364 116.065 114.554 0.245 0.000 2.635 152 T HA -0.190 4.160 4.350 0.000 0.000 0.267 152 T C 1.836 176.761 174.700 0.374 0.000 1.040 152 T CA 1.513 63.886 62.100 0.456 0.000 1.156 152 T CB -0.324 68.819 68.868 0.459 0.000 0.863 152 T HN 0.070 nan 8.240 nan 0.000 0.430 153 L N 1.033 122.394 121.223 0.229 0.000 2.261 153 L HA 0.044 4.384 4.340 0.000 0.000 0.216 153 L C 2.650 179.673 176.870 0.254 0.000 1.114 153 L CA 1.395 56.349 54.840 0.191 0.000 0.777 153 L CB -1.173 40.912 42.059 0.043 0.000 0.910 153 L HN 0.360 nan 8.230 nan 0.000 0.440 154 G N -1.286 107.625 108.800 0.186 0.000 2.422 154 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 154 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 154 G C 1.237 176.213 174.900 0.128 0.000 1.146 154 G CA 0.634 45.812 45.100 0.130 0.000 0.769 154 G HN 0.311 nan 8.290 nan 0.000 0.547 155 D N -0.243 120.246 120.400 0.149 0.000 2.384 155 D HA -0.018 4.622 4.640 0.000 0.000 0.222 155 D C 1.292 177.472 176.300 -0.200 0.000 0.976 155 D CA 0.492 54.479 54.000 -0.022 0.000 0.915 155 D CB -0.128 40.655 40.800 -0.028 0.000 0.896 155 D HN 0.418 nan 8.370 nan 0.000 0.523 156 F N -0.426 119.510 119.950 -0.023 0.000 2.704 156 F HA 0.178 4.705 4.527 0.000 0.000 0.304 156 F C 1.836 177.616 175.800 -0.034 0.000 1.094 156 F CA -0.015 57.962 58.000 -0.039 0.000 1.275 156 F CB 0.394 39.378 39.000 -0.026 0.000 1.073 156 F HN -0.052 nan 8.300 nan 0.000 0.586 157 Q N -1.062 118.822 119.800 0.140 0.000 2.211 157 Q HA 0.155 4.495 4.340 0.000 0.000 0.242 157 Q C 0.219 176.255 176.000 0.060 0.000 0.825 157 Q CA -0.248 55.609 55.803 0.091 0.000 0.951 157 Q CB -0.167 28.626 28.738 0.092 0.000 1.130 157 Q HN 0.087 nan 8.270 nan 0.000 0.496 158 N N 1.925 120.650 118.700 0.042 0.000 2.412 158 N HA -0.093 4.648 4.740 0.000 0.000 0.258 158 N C 0.255 175.841 175.510 0.127 0.000 1.236 158 N CA 0.637 53.727 53.050 0.068 0.000 0.882 158 N CB 0.713 39.234 38.487 0.057 0.000 1.066 158 N HN 0.072 nan 8.380 nan 0.000 0.465 159 Q N 0.948 120.843 119.800 0.158 0.000 2.219 159 Q HA 0.085 4.425 4.340 0.000 0.000 0.209 159 Q C -0.748 175.376 176.000 0.207 0.000 0.854 159 Q CA -0.013 55.912 55.803 0.203 0.000 0.960 159 Q CB 0.050 28.860 28.738 0.121 0.000 1.116 159 Q HN 0.632 nan 8.270 nan 0.000 0.500 160 D N -0.077 120.444 120.400 0.202 0.000 2.428 160 D HA -0.009 4.631 4.640 0.000 0.000 0.221 160 D C 0.563 176.881 176.300 0.030 0.000 1.123 160 D CA -0.584 53.481 54.000 0.108 0.000 0.869 160 D CB 0.180 41.025 40.800 0.075 0.000 1.032 160 D HN -0.002 nan 8.370 nan 0.000 0.506 161 Y N 2.863 122.967 120.300 -0.327 0.000 2.348 161 Y HA -0.202 4.348 4.550 0.000 0.000 0.285 161 Y C 0.989 176.707 175.900 -0.303 0.000 1.173 161 Y CA 1.682 59.359 58.100 -0.705 0.000 1.263 161 Y CB 0.365 38.552 38.460 -0.456 0.000 0.974 161 Y HN 0.423 nan 8.280 nan 0.000 0.547 162 D N -0.550 119.816 120.400 -0.056 0.000 2.369 162 D HA 0.023 4.663 4.640 0.000 0.000 0.211 162 D C 0.188 176.469 176.300 -0.032 0.000 1.077 162 D CA 0.272 54.246 54.000 -0.044 0.000 0.842 162 D CB 0.058 40.869 40.800 0.018 0.000 0.947 162 D HN 0.214 nan 8.370 nan 0.000 0.509 163 K N 2.303 122.700 120.400 -0.005 0.000 2.266 163 K HA 0.272 4.592 4.320 0.000 0.000 0.274 163 K C -2.707 173.901 176.600 0.012 0.000 1.090 163 K CA -1.898 54.395 56.287 0.010 0.000 0.925 163 K CB 1.230 33.748 32.500 0.030 0.000 1.225 163 K HN -0.237 nan 8.250 nan 0.000 0.458 164 P HA -0.093 nan 4.420 nan 0.000 0.269 164 P C -0.402 176.885 177.300 -0.021 0.000 1.211 164 P CA -0.293 62.792 63.100 -0.026 0.000 0.781 164 P CB 0.448 32.127 31.700 -0.035 0.000 0.877 165 C N 1.907 121.187 119.300 -0.034 0.000 2.657 165 C HA 0.209 4.669 4.460 0.000 0.000 0.420 165 C C 2.179 177.165 174.990 -0.007 0.000 1.323 165 C CA 0.679 59.681 59.018 -0.027 0.000 1.894 165 C CB -0.395 27.314 27.740 -0.051 0.000 2.681 165 C HN 0.692 nan 8.230 nan 0.000 0.613 166 A N 2.566 125.385 122.820 -0.001 0.000 1.841 166 A HA -0.188 4.132 4.320 0.000 0.000 0.216 166 A C 1.802 179.335 177.584 -0.085 0.000 1.199 166 A CA 1.757 53.748 52.037 -0.076 0.000 0.621 166 A CB -0.866 18.046 19.000 -0.147 0.000 0.835 166 A HN 0.996 nan 8.150 nan 0.000 0.445 167 W N -0.076 121.175 121.300 -0.083 0.000 2.305 167 W HA -0.186 4.474 4.660 0.000 0.000 0.308 167 W C 2.202 178.657 176.519 -0.107 0.000 1.226 167 W CA 1.450 58.739 57.345 -0.093 0.000 1.253 167 W CB -0.643 28.752 29.460 -0.108 0.000 1.146 167 W HN 0.265 nan 8.180 nan 0.000 0.507 168 L N -0.484 120.800 121.223 0.102 0.000 2.005 168 L HA -0.193 4.147 4.340 0.000 0.000 0.207 168 L C 2.645 179.504 176.870 -0.018 0.000 1.072 168 L CA 1.428 56.270 54.840 0.004 0.000 0.744 168 L CB -1.246 40.790 42.059 -0.038 0.000 0.895 168 L HN 0.011 nan 8.230 nan 0.000 0.433 169 A N -0.437 122.367 122.820 -0.027 0.000 2.019 169 A HA -0.121 4.199 4.320 0.000 0.000 0.219 169 A C 2.317 179.872 177.584 -0.050 0.000 1.164 169 A CA 1.718 53.731 52.037 -0.040 0.000 0.644 169 A CB -0.500 18.473 19.000 -0.045 0.000 0.805 169 A HN 0.455 nan 8.150 nan 0.000 0.449 170 A N -1.471 121.311 122.820 -0.064 0.000 2.044 170 A HA 0.228 4.548 4.320 0.000 0.000 0.213 170 A C 2.027 179.581 177.584 -0.051 0.000 1.169 170 A CA 1.308 53.294 52.037 -0.085 0.000 0.724 170 A CB -0.086 18.812 19.000 -0.169 0.000 0.840 170 A HN 0.375 nan 8.150 nan 0.000 0.463 171 S N -0.561 115.130 115.700 -0.016 0.000 2.540 171 S HA 0.395 4.865 4.470 0.000 0.000 0.218 171 S C 0.329 174.921 174.600 -0.015 0.000 0.977 171 S CA -0.246 57.956 58.200 0.004 0.000 0.918 171 S CB -0.045 63.189 63.200 0.057 0.000 0.806 171 S HN 0.380 nan 8.310 nan 0.000 0.496 172 L N 2.046 123.254 121.223 -0.024 0.000 2.352 172 L HA 0.417 4.757 4.340 0.000 0.000 0.269 172 L C 0.751 177.610 176.870 -0.019 0.000 1.034 172 L CA -0.934 53.890 54.840 -0.026 0.000 0.806 172 L CB 0.934 42.973 42.059 -0.033 0.000 1.244 172 L HN 0.092 nan 8.230 nan 0.000 0.447 173 T N -1.661 112.885 114.554 -0.014 0.000 2.933 173 T HA 0.034 4.384 4.350 0.000 0.000 0.306 173 T C -1.451 173.241 174.700 -0.012 0.000 1.045 173 T CA -1.024 61.070 62.100 -0.010 0.000 1.143 173 T CB 0.533 69.397 68.868 -0.006 0.000 1.003 173 T HN 0.509 nan 8.240 nan 0.000 0.540 174 P HA -0.147 nan 4.420 nan 0.000 0.219 174 P C 1.441 178.735 177.300 -0.010 0.000 1.146 174 P CA 0.883 63.975 63.100 -0.014 0.000 0.808 174 P CB 0.137 31.828 31.700 -0.014 0.000 0.779 175 R N -0.223 120.273 120.500 -0.007 0.000 2.073 175 R HA -0.095 4.246 4.340 0.000 0.000 0.234 175 R C 2.660 178.958 176.300 -0.003 0.000 1.134 175 R CA 1.055 57.152 56.100 -0.004 0.000 0.952 175 R CB -0.307 29.992 30.300 -0.002 0.000 0.850 175 R HN -0.117 nan 8.270 nan 0.000 0.433 176 R N 0.329 120.826 120.500 -0.004 0.000 2.073 176 R HA -0.087 4.253 4.340 0.000 0.000 0.234 176 R C 2.168 178.465 176.300 -0.006 0.000 1.134 176 R CA 1.395 57.494 56.100 -0.002 0.000 0.952 176 R CB -0.834 29.463 30.300 -0.003 0.000 0.850 176 R HN 0.188 nan 8.270 nan 0.000 0.433 177 V N 1.866 121.773 119.914 -0.012 0.000 2.380 177 V HA -0.241 3.879 4.120 0.000 0.000 0.251 177 V C 2.634 178.721 176.094 -0.012 0.000 1.063 177 V CA 1.680 63.971 62.300 -0.016 0.000 1.055 177 V CB -0.477 31.334 31.823 -0.020 0.000 0.657 177 V HN 0.259 nan 8.190 nan 0.000 0.455 178 K N 0.141 120.536 120.400 -0.008 0.000 2.062 178 K HA -0.132 4.189 4.320 0.000 0.000 0.205 178 K C 2.339 178.938 176.600 -0.001 0.000 1.051 178 K CA 1.347 57.631 56.287 -0.005 0.000 0.941 178 K CB -0.140 32.357 32.500 -0.004 0.000 0.719 178 K HN 0.386 nan 8.250 nan 0.000 0.440 179 R N 0.522 121.022 120.500 0.001 0.000 2.064 179 R HA -0.026 4.314 4.340 0.000 0.000 0.228 179 R C 2.544 178.849 176.300 0.008 0.000 1.144 179 R CA 1.248 57.351 56.100 0.006 0.000 0.932 179 R CB -0.343 29.962 30.300 0.008 0.000 0.833 179 R HN 0.107 nan 8.270 nan 0.000 0.429 180 L N -0.187 121.040 121.223 0.006 0.000 2.043 180 L HA -0.148 4.192 4.340 0.000 0.000 0.212 180 L C 2.595 179.466 176.870 0.002 0.000 1.075 180 L CA 1.592 56.437 54.840 0.007 0.000 0.752 180 L CB -1.082 40.979 42.059 0.003 0.000 0.891 180 L HN 0.527 nan 8.230 nan 0.000 0.432 181 G N -0.043 108.754 108.800 -0.005 0.000 2.469 181 G HA2 -0.279 3.681 3.960 0.000 0.000 0.219 181 G HA3 -0.279 3.681 3.960 0.000 0.000 0.219 181 G C 1.156 176.057 174.900 0.001 0.000 1.150 181 G CA 1.066 46.160 45.100 -0.009 0.000 0.763 181 G HN 0.356 nan 8.290 nan 0.000 0.561 182 D N 0.146 120.549 120.400 0.005 0.000 2.219 182 D HA -0.034 4.606 4.640 0.000 0.000 0.205 182 D C 2.089 178.399 176.300 0.018 0.000 0.970 182 D CA 0.511 54.518 54.000 0.011 0.000 0.851 182 D CB 0.018 40.824 40.800 0.010 0.000 0.943 182 D HN 0.212 nan 8.370 nan 0.000 0.488 183 L N -0.349 120.886 121.223 0.019 0.000 2.591 183 L HA 0.224 4.564 4.340 0.000 0.000 0.228 183 L C 1.647 178.537 176.870 0.034 0.000 1.133 183 L CA 0.364 55.221 54.840 0.027 0.000 0.880 183 L CB -0.494 41.582 42.059 0.028 0.000 1.033 183 L HN 0.063 nan 8.230 nan 0.000 0.450 184 G N -0.192 108.624 108.800 0.027 0.000 2.179 184 G HA2 -0.302 3.658 3.960 0.000 0.000 0.257 184 G HA3 -0.302 3.658 3.960 0.000 0.000 0.257 184 G C 0.838 175.747 174.900 0.016 0.000 1.010 184 G CA 0.580 45.698 45.100 0.030 0.000 0.736 184 G HN 0.394 nan 8.290 nan 0.000 0.513 185 L N -1.053 120.177 121.223 0.011 0.000 2.611 185 L HA 0.377 4.717 4.340 0.000 0.000 0.229 185 L C 0.746 177.611 176.870 -0.009 0.000 1.137 185 L CA -0.297 54.552 54.840 0.015 0.000 0.901 185 L CB 0.186 42.264 42.059 0.031 0.000 1.098 185 L HN 0.162 nan 8.230 nan 0.000 0.456 186 L N 2.638 123.838 121.223 -0.039 0.000 2.257 186 L HA 0.414 4.755 4.340 0.000 0.000 0.290 186 L C -1.938 174.879 176.870 -0.089 0.000 1.044 186 L CA -1.848 52.960 54.840 -0.053 0.000 0.810 186 L CB 0.891 42.920 42.059 -0.049 0.000 1.193 186 L HN -0.184 nan 8.230 nan 0.000 0.425 187 P HA 0.107 nan 4.420 nan 0.000 0.272 187 P C -0.363 176.903 177.300 -0.058 0.000 1.223 187 P CA 0.080 63.136 63.100 -0.073 0.000 0.784 187 P CB 0.707 32.359 31.700 -0.080 0.000 0.923 188 H N 0.009 118.951 119.070 -0.212 0.000 2.885 188 H HA 0.261 4.817 4.556 0.000 0.000 0.260 188 H C -0.324 174.942 175.328 -0.104 0.000 0.985 188 H CA 0.016 55.971 56.048 -0.156 0.000 1.210 188 H CB 0.376 30.032 29.762 -0.177 0.000 1.466 188 H HN 0.348 nan 8.280 nan 0.000 0.493 189 N N 0.730 118.993 118.700 -0.727 0.000 2.648 189 N HA 0.115 4.855 4.740 0.000 0.000 0.272 189 N C 0.484 175.745 175.510 -0.415 0.000 1.118 189 N CA -0.376 52.335 53.050 -0.565 0.000 0.973 189 N CB 1.111 39.196 38.487 -0.670 0.000 1.565 189 N HN 0.058 nan 8.380 nan 0.000 0.542 190 I N 1.386 121.702 120.570 -0.423 0.000 2.069 190 I HA -0.278 3.892 4.170 0.000 0.000 0.237 190 I C 1.285 177.280 176.117 -0.203 0.000 1.053 190 I CA 1.269 62.342 61.300 -0.378 0.000 1.311 190 I CB -0.061 37.531 38.000 -0.679 0.000 1.030 190 I HN 0.504 nan 8.210 nan 0.000 0.398 191 D N 0.954 121.279 120.400 -0.126 0.000 2.117 191 D HA -0.142 4.498 4.640 0.000 0.000 0.197 191 D C 2.225 178.518 176.300 -0.012 0.000 0.987 191 D CA 1.607 55.612 54.000 0.009 0.000 0.829 191 D CB -0.241 40.627 40.800 0.112 0.000 0.961 191 D HN 0.375 nan 8.370 nan 0.000 0.460 192 A N 0.306 123.091 122.820 -0.059 0.000 1.933 192 A HA -0.161 4.159 4.320 0.000 0.000 0.218 192 A C 2.426 180.022 177.584 0.020 0.000 1.175 192 A CA 1.804 53.831 52.037 -0.018 0.000 0.628 192 A CB -0.527 18.429 19.000 -0.074 0.000 0.814 192 A HN 0.153 nan 8.150 nan 0.000 0.444 193 S N -0.530 115.147 115.700 -0.038 0.000 2.356 193 S HA -0.130 4.340 4.470 0.000 0.000 0.223 193 S C 1.927 176.546 174.600 0.032 0.000 1.032 193 S CA 1.426 59.637 58.200 0.018 0.000 1.005 193 S CB -0.469 62.712 63.200 -0.030 0.000 0.867 193 S HN 0.355 nan 8.310 nan 0.000 0.449 194 V N 2.016 121.936 119.914 0.011 0.000 2.287 194 V HA -0.231 3.889 4.120 0.000 0.000 0.248 194 V C 2.637 178.749 176.094 0.031 0.000 1.053 194 V CA 1.824 64.135 62.300 0.019 0.000 1.027 194 V CB -1.211 30.620 31.823 0.014 0.000 0.646 194 V HN 0.542 nan 8.190 nan 0.000 0.447 195 A N -0.739 122.102 122.820 0.035 0.000 1.877 195 A HA -0.284 4.036 4.320 0.000 0.000 0.216 195 A C 2.140 179.753 177.584 0.048 0.000 1.186 195 A CA 1.922 53.983 52.037 0.039 0.000 0.620 195 A CB -0.521 18.503 19.000 0.040 0.000 0.822 195 A HN 0.644 nan 8.150 nan 0.000 0.443 196 Q N -0.921 118.920 119.800 0.068 0.000 2.291 196 Q HA -0.085 4.255 4.340 0.000 0.000 0.205 196 Q C 1.913 177.954 176.000 0.069 0.000 0.970 196 Q CA 1.520 57.369 55.803 0.077 0.000 0.876 196 Q CB -0.280 28.534 28.738 0.127 0.000 0.935 196 Q HN 0.671 nan 8.270 nan 0.000 0.455 197 T N 0.618 115.210 114.554 0.064 0.000 2.851 197 T HA -0.040 4.310 4.350 0.000 0.000 0.262 197 T C 1.747 176.475 174.700 0.047 0.000 1.043 197 T CA 0.783 62.916 62.100 0.055 0.000 1.140 197 T CB 0.052 68.947 68.868 0.044 0.000 0.872 197 T HN 0.174 nan 8.240 nan 0.000 0.446 198 M N 1.297 120.922 119.600 0.042 0.000 2.229 198 M HA 0.066 4.546 4.480 0.000 0.000 0.264 198 M C 2.621 178.960 176.300 0.064 0.000 1.063 198 M CA 0.976 56.303 55.300 0.046 0.000 1.114 198 M CB -1.549 31.074 32.600 0.038 0.000 1.387 198 M HN 0.235 nan 8.290 nan 0.000 0.420 199 S N 1.136 116.866 115.700 0.050 0.000 2.383 199 S HA -0.136 4.334 4.470 0.000 0.000 0.227 199 S C 1.992 176.626 174.600 0.058 0.000 1.026 199 S CA 1.154 59.377 58.200 0.038 0.000 0.981 199 S CB -0.120 63.087 63.200 0.013 0.000 0.818 199 S HN 0.604 nan 8.310 nan 0.000 0.472 200 R N 0.511 121.045 120.500 0.057 0.000 2.276 200 R HA 0.044 4.385 4.340 0.000 0.000 0.203 200 R C 1.268 177.609 176.300 0.069 0.000 1.017 200 R CA 1.446 57.579 56.100 0.056 0.000 1.010 200 R CB -0.917 29.412 30.300 0.048 0.000 0.900 200 R HN 0.516 nan 8.270 nan 0.000 0.469 201 T N -2.533 112.068 114.554 0.079 0.000 3.176 201 T HA 0.071 4.421 4.350 0.000 0.000 0.263 201 T C 0.101 174.854 174.700 0.088 0.000 1.021 201 T CA -0.583 61.559 62.100 0.071 0.000 0.905 201 T CB -0.340 68.559 68.868 0.053 0.000 1.057 201 T HN 0.378 nan 8.240 nan 0.000 0.558 202 H N 0.993 120.071 119.070 0.013 0.000 2.671 202 H HA 0.495 5.051 4.556 0.000 0.000 0.372 202 H C 0.406 175.739 175.328 0.008 0.000 1.227 202 H CA -0.258 55.796 56.048 0.010 0.000 1.426 202 H CB 0.820 30.587 29.762 0.007 0.000 1.480 202 H HN 0.098 nan 8.280 nan 0.000 0.611 203 V N 3.366 122.975 119.914 -0.508 0.000 2.720 203 V HA 0.172 4.292 4.120 0.000 0.000 0.307 203 V C 1.075 177.154 176.094 -0.024 0.000 1.071 203 V CA 1.284 63.433 62.300 -0.250 0.000 1.199 203 V CB -0.344 31.290 31.823 -0.315 0.000 0.900 203 V HN 1.239 nan 8.190 nan 0.000 0.494 204 G N 3.774 112.572 108.800 -0.003 0.000 2.249 204 G HA2 -0.252 3.708 3.960 0.000 0.000 0.273 204 G HA3 -0.252 3.708 3.960 0.000 0.000 0.273 204 G C 0.234 175.168 174.900 0.057 0.000 1.036 204 G CA 0.299 45.417 45.100 0.030 0.000 0.824 204 G HN 1.062 nan 8.290 nan 0.000 0.504 205 C N -1.304 118.031 119.300 0.059 0.000 3.178 205 C HA 0.615 5.075 4.460 0.000 0.000 0.099 205 C C 0.937 175.948 174.990 0.035 0.000 2.497 205 C CA -0.040 59.013 59.018 0.058 0.000 1.927 205 C CB 0.325 28.118 27.740 0.089 0.000 3.085 205 C HN 0.577 nan 8.230 nan 0.000 0.376 206 D N 0.213 120.636 120.400 0.038 0.000 2.401 206 D HA 0.435 5.075 4.640 0.000 0.000 0.254 206 D C 0.286 176.603 176.300 0.028 0.000 1.192 206 D CA 0.492 54.510 54.000 0.030 0.000 0.885 206 D CB 0.901 41.722 40.800 0.035 0.000 1.147 206 D HN 0.566 nan 8.370 nan 0.000 0.478 207 A N 3.532 126.365 122.820 0.021 0.000 2.226 207 A HA 0.109 4.429 4.320 0.000 0.000 0.207 207 A C 0.693 178.291 177.584 0.023 0.000 1.293 207 A CA -0.249 51.800 52.037 0.020 0.000 0.968 207 A CB 0.023 19.029 19.000 0.009 0.000 1.044 207 A HN 0.585 nan 8.150 nan 0.000 0.493 208 D N 0.711 121.124 120.400 0.022 0.000 2.382 208 D HA 0.244 4.884 4.640 0.000 0.000 0.259 208 D C -1.557 174.762 176.300 0.031 0.000 1.224 208 D CA -1.253 52.762 54.000 0.024 0.000 0.894 208 D CB 1.109 41.922 40.800 0.022 0.000 1.127 208 D HN 0.016 nan 8.370 nan 0.000 0.487 209 P HA -0.188 nan 4.420 nan 0.000 0.216 209 P C 1.121 178.445 177.300 0.041 0.000 1.157 209 P CA 1.423 64.546 63.100 0.038 0.000 0.880 209 P CB 0.151 31.873 31.700 0.037 0.000 0.791 210 T N -1.189 113.389 114.554 0.039 0.000 2.737 210 T HA -0.144 4.207 4.350 0.000 0.000 0.265 210 T C 1.774 176.501 174.700 0.045 0.000 1.038 210 T CA 1.200 63.325 62.100 0.042 0.000 1.144 210 T CB -0.987 67.903 68.868 0.038 0.000 0.866 210 T HN 0.189 nan 8.240 nan 0.000 0.434 211 N N 0.987 119.711 118.700 0.040 0.000 2.120 211 N HA -0.035 4.706 4.740 0.000 0.000 0.188 211 N C 1.926 177.465 175.510 0.049 0.000 1.024 211 N CA 0.991 54.067 53.050 0.043 0.000 0.852 211 N CB -0.211 38.297 38.487 0.035 0.000 1.003 211 N HN 0.354 nan 8.380 nan 0.000 0.424 212 L N 0.722 121.973 121.223 0.046 0.000 2.046 212 L HA -0.140 4.200 4.340 0.000 0.000 0.208 212 L C 2.290 179.193 176.870 0.055 0.000 1.077 212 L CA 0.660 55.530 54.840 0.049 0.000 0.747 212 L CB -0.295 41.791 42.059 0.044 0.000 0.896 212 L HN 0.168 nan 8.230 nan 0.000 0.432 213 I N -0.245 120.359 120.570 0.057 0.000 2.315 213 I HA -0.255 3.915 4.170 0.000 0.000 0.248 213 I C 2.467 178.629 176.117 0.075 0.000 1.117 213 I CA 1.520 62.861 61.300 0.067 0.000 1.404 213 I CB -0.854 37.188 38.000 0.071 0.000 1.071 213 I HN 0.273 nan 8.210 nan 0.000 0.419 214 L N 0.464 121.728 121.223 0.069 0.000 2.017 214 L HA -0.121 4.219 4.340 0.000 0.000 0.208 214 L C 2.671 179.587 176.870 0.076 0.000 1.073 214 L CA 1.595 56.478 54.840 0.071 0.000 0.745 214 L CB -1.151 40.948 42.059 0.065 0.000 0.894 214 L HN 0.269 nan 8.230 nan 0.000 0.432 215 G N -0.489 108.357 108.800 0.077 0.000 2.450 215 G HA2 -0.211 3.749 3.960 0.000 0.000 0.220 215 G HA3 -0.211 3.749 3.960 0.000 0.000 0.220 215 G C 1.530 176.476 174.900 0.078 0.000 1.130 215 G CA 0.804 45.955 45.100 0.085 0.000 0.760 215 G HN 0.514 nan 8.290 nan 0.000 0.557 216 G N 0.680 109.524 108.800 0.072 0.000 2.403 216 G HA2 -0.063 3.897 3.960 0.000 0.000 0.216 216 G HA3 -0.063 3.897 3.960 0.000 0.000 0.216 216 G C 1.749 176.701 174.900 0.087 0.000 1.154 216 G CA 0.445 45.588 45.100 0.071 0.000 0.784 216 G HN 0.412 nan 8.290 nan 0.000 0.538 217 L N -0.097 121.182 121.223 0.093 0.000 2.131 217 L HA -0.031 4.309 4.340 0.000 0.000 0.210 217 L C 2.896 179.821 176.870 0.093 0.000 1.092 217 L CA 1.222 56.124 54.840 0.103 0.000 0.759 217 L CB -0.324 41.791 42.059 0.093 0.000 0.903 217 L HN 0.232 nan 8.230 nan 0.000 0.435 218 R N 0.236 120.781 120.500 0.075 0.000 2.066 218 R HA -0.114 4.226 4.340 0.000 0.000 0.232 218 R C 2.172 178.502 176.300 0.050 0.000 1.131 218 R CA 1.399 57.531 56.100 0.054 0.000 0.955 218 R CB -0.146 30.184 30.300 0.050 0.000 0.851 218 R HN 0.146 nan 8.270 nan 0.000 0.432 219 V N 1.190 121.141 119.914 0.061 0.000 2.490 219 V HA -0.166 3.954 4.120 0.000 0.000 0.250 219 V C 2.489 178.629 176.094 0.076 0.000 1.061 219 V CA 1.706 64.036 62.300 0.050 0.000 1.064 219 V CB -0.956 30.898 31.823 0.051 0.000 0.670 219 V HN 0.516 nan 8.190 nan 0.000 0.461 220 A N -0.125 122.767 122.820 0.119 0.000 1.933 220 A HA -0.175 4.145 4.320 0.000 0.000 0.218 220 A C 2.204 179.937 177.584 0.248 0.000 1.175 220 A CA 1.880 54.045 52.037 0.214 0.000 0.628 220 A CB -0.449 18.680 19.000 0.215 0.000 0.814 220 A HN 0.400 nan 8.150 nan 0.000 0.444 221 M N -0.473 119.201 119.600 0.124 0.000 2.296 221 M HA -0.037 4.443 4.480 0.000 0.000 0.265 221 M C 2.291 178.544 176.300 -0.077 0.000 1.064 221 M CA 1.252 56.562 55.300 0.016 0.000 1.109 221 M CB -1.365 31.234 32.600 -0.002 0.000 1.396 221 M HN 0.490 nan 8.290 nan 0.000 0.430 222 A N -0.449 122.345 122.820 -0.044 0.000 2.119 222 A HA -0.154 4.166 4.320 0.000 0.000 0.217 222 A C 1.871 179.396 177.584 -0.098 0.000 1.153 222 A CA 1.771 53.744 52.037 -0.107 0.000 0.692 222 A CB -0.726 18.213 19.000 -0.103 0.000 0.799 222 A HN 0.490 nan 8.150 nan 0.000 0.458 223 D N -0.581 119.824 120.400 0.009 0.000 2.137 223 D HA -0.077 4.564 4.640 0.000 0.000 0.202 223 D C 1.813 178.041 176.300 -0.120 0.000 0.970 223 D CA 0.778 54.843 54.000 0.107 0.000 0.837 223 D CB -0.096 40.947 40.800 0.405 0.000 0.981 223 D HN 0.329 nan 8.370 nan 0.000 0.475 224 L N 0.210 121.146 121.223 -0.479 0.000 1.994 224 L HA -0.153 4.187 4.340 0.000 0.000 0.208 224 L C 1.939 178.508 176.870 -0.502 0.000 1.071 224 L CA 2.035 56.327 54.840 -0.914 0.000 0.745 224 L CB -0.475 40.874 42.059 -1.183 0.000 0.892 224 L HN 0.143 nan 8.230 nan 0.000 0.431 225 D N -0.740 119.447 120.400 -0.354 0.000 2.133 225 D HA -0.215 4.425 4.640 0.000 0.000 0.192 225 D C 2.002 178.094 176.300 -0.346 0.000 1.001 225 D CA 1.668 55.507 54.000 -0.269 0.000 0.844 225 D CB -0.131 40.544 40.800 -0.207 0.000 0.944 225 D HN 0.422 nan 8.370 nan 0.000 0.447 226 G N -1.038 107.580 108.800 -0.303 0.000 2.408 226 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 226 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 226 G C 1.787 176.502 174.900 -0.310 0.000 1.150 226 G CA 0.862 45.804 45.100 -0.264 0.000 0.776 226 G HN 0.264 nan 8.290 nan 0.000 0.542 227 S N 0.442 115.946 115.700 -0.327 0.000 2.368 227 S HA -0.049 4.421 4.470 0.000 0.000 0.224 227 S C 2.420 176.799 174.600 -0.369 0.000 1.029 227 S CA 1.295 59.282 58.200 -0.355 0.000 0.988 227 S CB -0.226 62.765 63.200 -0.349 0.000 0.838 227 S HN 0.366 nan 8.310 nan 0.000 0.462 228 M N 1.073 120.427 119.600 -0.409 0.000 2.064 228 M HA -0.042 4.438 4.480 0.000 0.000 0.260 228 M C 2.337 178.214 176.300 -0.705 0.000 1.073 228 M CA 1.300 56.363 55.300 -0.395 0.000 1.124 228 M CB -0.806 31.644 32.600 -0.250 0.000 1.326 228 M HN 0.286 nan 8.290 nan 0.000 0.410 229 L N 0.736 121.286 121.223 -1.123 0.000 2.034 229 L HA -0.289 4.051 4.340 0.000 0.000 0.217 229 L C 2.519 178.881 176.870 -0.846 0.000 1.077 229 L CA 2.091 55.935 54.840 -1.659 0.000 0.769 229 L CB -0.453 40.919 42.059 -1.145 0.000 0.890 229 L HN 0.325 nan 8.230 nan 0.000 0.435 230 A N -1.101 121.388 122.820 -0.551 0.000 1.929 230 A HA -0.128 4.193 4.320 0.000 0.000 0.216 230 A C 2.165 179.571 177.584 -0.297 0.000 1.176 230 A CA 1.902 53.689 52.037 -0.416 0.000 0.628 230 A CB -0.844 17.838 19.000 -0.530 0.000 0.816 230 A HN 0.570 nan 8.150 nan 0.000 0.444 231 T N -0.135 114.260 114.554 -0.266 0.000 2.732 231 T HA -0.088 4.262 4.350 0.000 0.000 0.261 231 T C 1.852 176.510 174.700 -0.072 0.000 1.040 231 T CA 1.304 63.328 62.100 -0.125 0.000 1.145 231 T CB -0.226 68.584 68.868 -0.097 0.000 0.866 231 T HN 0.446 nan 8.240 nan 0.000 0.427 232 E N 1.485 121.622 120.200 -0.106 0.000 2.021 232 E HA -0.105 4.245 4.350 0.000 0.000 0.200 232 E C 2.360 178.983 176.600 0.039 0.000 1.015 232 E CA 1.086 57.498 56.400 0.020 0.000 0.824 232 E CB -0.731 29.064 29.700 0.158 0.000 0.762 232 E HN 0.434 nan 8.360 nan 0.000 0.454 233 L N 1.006 122.222 121.223 -0.013 0.000 2.127 233 L HA -0.169 4.171 4.340 0.000 0.000 0.211 233 L C 2.575 179.456 176.870 0.017 0.000 1.089 233 L CA 0.836 55.686 54.840 0.017 0.000 0.757 233 L CB -0.381 41.668 42.059 -0.017 0.000 0.899 233 L HN 0.029 nan 8.230 nan 0.000 0.434 234 S N -0.467 115.257 115.700 0.039 0.000 2.368 234 S HA -0.168 4.302 4.470 0.000 0.000 0.224 234 S C 1.540 176.261 174.600 0.201 0.000 1.029 234 S CA 1.165 59.469 58.200 0.174 0.000 0.988 234 S CB -0.181 63.123 63.200 0.175 0.000 0.838 234 S HN 0.433 nan 8.310 nan 0.000 0.462 235 D N 1.659 122.130 120.400 0.119 0.000 2.117 235 D HA -0.025 4.615 4.640 0.000 0.000 0.197 235 D C 2.122 178.466 176.300 0.073 0.000 0.987 235 D CA 1.207 55.271 54.000 0.107 0.000 0.829 235 D CB -0.427 40.417 40.800 0.074 0.000 0.961 235 D HN 0.366 nan 8.370 nan 0.000 0.460 236 A N 0.464 123.308 122.820 0.040 0.000 1.902 236 A HA -0.131 4.189 4.320 0.000 0.000 0.217 236 A C 2.398 179.941 177.584 -0.068 0.000 1.181 236 A CA 0.982 53.021 52.037 0.004 0.000 0.623 236 A CB -0.726 18.278 19.000 0.007 0.000 0.818 236 A HN 0.229 nan 8.150 nan 0.000 0.443 237 L N -2.653 118.467 121.223 -0.171 0.000 2.109 237 L HA -0.023 4.317 4.340 0.000 0.000 0.207 237 L C 1.516 177.985 176.870 -0.669 0.000 1.086 237 L CA 1.043 55.587 54.840 -0.494 0.000 0.760 237 L CB -0.138 41.431 42.059 -0.816 0.000 0.910 237 L HN 0.484 nan 8.230 nan 0.000 0.437 238 F N -1.068 118.943 119.950 0.102 0.000 2.746 238 F HA 0.454 4.981 4.527 0.000 0.000 0.320 238 F C 0.860 176.707 175.800 0.077 0.000 1.097 238 F CA -0.035 58.040 58.000 0.124 0.000 1.195 238 F CB 0.697 39.795 39.000 0.165 0.000 1.056 238 F HN -0.058 nan 8.300 nan 0.000 0.562 239 G N 1.541 110.438 108.800 0.161 0.000 3.225 239 G HA2 -0.022 3.938 3.960 0.000 0.000 0.686 239 G HA3 -0.022 3.938 3.960 0.000 0.000 0.686 239 G C -0.379 174.563 174.900 0.071 0.000 1.105 239 G CA -0.645 44.505 45.100 0.082 0.000 0.831 239 G HN 0.237 nan 8.290 nan 0.000 0.578 240 T N 3.937 118.517 114.554 0.043 0.000 2.853 240 T HA 0.542 4.892 4.350 0.000 0.000 0.298 240 T C -0.954 173.743 174.700 -0.003 0.000 0.978 240 T CA -0.336 61.783 62.100 0.032 0.000 1.152 240 T CB 0.709 69.594 68.868 0.028 0.000 0.914 240 T HN 0.616 nan 8.240 nan 0.000 0.539 241 P HA 0.183 nan 4.420 nan 0.000 0.268 241 P C -1.195 176.053 177.300 -0.087 0.000 1.205 241 P CA -0.226 62.843 63.100 -0.051 0.000 0.771 241 P CB 0.620 32.299 31.700 -0.035 0.000 0.858 242 Q N 2.437 122.160 119.800 -0.127 0.000 2.451 242 Q HA 0.637 4.977 4.340 0.000 0.000 0.281 242 Q C -2.879 172.973 176.000 -0.246 0.000 1.099 242 Q CA -2.901 52.793 55.803 -0.181 0.000 0.806 242 Q CB -0.719 27.939 28.738 -0.133 0.000 1.419 242 Q HN 0.209 nan 8.270 nan 0.000 0.427 243 P HA -0.014 nan 4.420 nan 0.000 0.259 243 P C -1.084 176.109 177.300 -0.179 0.000 1.155 243 P CA 0.276 63.117 63.100 -0.432 0.000 0.759 243 P CB 0.374 31.789 31.700 -0.476 0.000 0.753 244 V N 4.409 124.268 119.914 -0.091 0.000 3.120 244 V HA 0.388 4.508 4.120 0.000 0.000 0.303 244 V C -0.916 175.203 176.094 0.042 0.000 1.238 244 V CA -0.825 61.462 62.300 -0.021 0.000 1.008 244 V CB 2.645 34.452 31.823 -0.026 0.000 1.064 244 V HN 0.105 nan 8.190 nan 0.000 0.434 245 V N 4.125 124.067 119.914 0.047 0.000 2.617 245 V HA 0.879 4.999 4.120 0.000 0.000 0.298 245 V C 0.320 176.453 176.094 0.065 0.000 1.048 245 V CA 0.556 62.897 62.300 0.069 0.000 0.964 245 V CB 1.645 33.503 31.823 0.058 0.000 1.004 245 V HN 1.117 nan 8.190 nan 0.000 0.466 246 S N 1.613 117.361 115.700 0.079 0.000 2.800 246 S HA 0.907 5.377 4.470 0.000 0.000 0.293 246 S C -1.093 173.553 174.600 0.078 0.000 1.209 246 S CA 0.198 58.442 58.200 0.073 0.000 0.884 246 S CB 1.671 64.919 63.200 0.080 0.000 1.244 246 S HN 1.264 nan 8.310 nan 0.000 0.540 247 A N 0.071 122.935 122.820 0.074 0.000 2.485 247 A HA 1.017 5.337 4.320 0.000 0.000 0.292 247 A C -0.617 177.016 177.584 0.082 0.000 1.147 247 A CA -0.127 51.955 52.037 0.075 0.000 0.750 247 A CB 1.235 20.272 19.000 0.061 0.000 1.331 247 A HN 1.672 nan 8.150 nan 0.000 0.419 248 A N 0.574 123.445 122.820 0.085 0.000 2.569 248 A HA 0.853 5.173 4.320 0.000 0.000 0.290 248 A C -0.183 177.449 177.584 0.080 0.000 1.136 248 A CA -0.125 51.963 52.037 0.084 0.000 0.710 248 A CB 0.906 19.967 19.000 0.101 0.000 1.303 248 A HN 1.911 nan 8.150 nan 0.000 0.413 249 N N -1.036 117.702 118.700 0.063 0.000 5.071 249 N HA -0.148 4.592 4.740 0.000 0.000 0.359 249 N C 0.669 176.212 175.510 0.054 0.000 1.477 249 N CA 0.581 53.662 53.050 0.053 0.000 2.762 249 N CB -0.292 38.240 38.487 0.075 0.000 0.485 249 N HN 0.724 nan 8.380 nan 0.000 0.771 250 L N 1.153 122.395 121.223 0.032 0.000 2.123 250 L HA -0.242 4.098 4.340 0.000 0.000 0.217 250 L C 2.393 179.305 176.870 0.070 0.000 1.081 250 L CA 2.512 57.373 54.840 0.034 0.000 0.772 250 L CB -1.267 40.798 42.059 0.010 0.000 0.890 250 L HN 0.823 nan 8.230 nan 0.000 0.437 251 G N -0.809 108.061 108.800 0.117 0.000 2.564 251 G HA2 -0.111 3.849 3.960 0.000 0.000 0.216 251 G HA3 -0.111 3.849 3.960 0.000 0.000 0.216 251 G C 1.517 176.463 174.900 0.076 0.000 1.124 251 G CA 0.485 45.655 45.100 0.116 0.000 0.764 251 G HN 0.286 nan 8.290 nan 0.000 0.550 252 V N 0.658 120.609 119.914 0.062 0.000 3.078 252 V HA 0.056 4.176 4.120 0.000 0.000 0.265 252 V C 1.759 177.874 176.094 0.035 0.000 1.122 252 V CA 0.685 63.011 62.300 0.044 0.000 1.141 252 V CB -0.427 31.416 31.823 0.035 0.000 0.735 252 V HN 0.409 nan 8.190 nan 0.000 0.498 253 M N 0.077 119.701 119.600 0.040 0.000 2.202 253 M HA 0.320 4.800 4.480 0.000 0.000 0.316 253 M C -0.164 176.164 176.300 0.047 0.000 1.138 253 M CA 0.530 55.854 55.300 0.040 0.000 1.151 253 M CB 0.654 33.280 32.600 0.043 0.000 1.422 253 M HN 0.017 nan 8.290 nan 0.000 0.471 254 K N 0.909 121.341 120.400 0.053 0.000 2.535 254 K HA 0.366 4.686 4.320 0.000 0.000 0.250 254 K C 0.044 176.698 176.600 0.089 0.000 0.948 254 K CA -0.737 55.584 56.287 0.057 0.000 0.796 254 K CB 2.299 34.821 32.500 0.037 0.000 1.216 254 K HN 0.557 nan 8.250 nan 0.000 0.432 255 R N 0.824 121.379 120.500 0.093 0.000 2.189 255 R HA -0.049 4.291 4.340 0.000 0.000 0.218 255 R C 1.466 177.868 176.300 0.171 0.000 1.074 255 R CA 1.247 57.421 56.100 0.123 0.000 0.991 255 R CB 0.033 30.385 30.300 0.086 0.000 0.883 255 R HN 0.781 nan 8.270 nan 0.000 0.457 256 G N 0.285 109.157 108.800 0.120 0.000 3.042 256 G HA2 0.299 4.259 3.960 0.000 0.000 0.212 256 G HA3 0.299 4.259 3.960 0.000 0.000 0.212 256 G C 0.184 175.106 174.900 0.037 0.000 1.166 256 G CA 0.193 45.361 45.100 0.114 0.000 0.767 256 G HN 0.318 nan 8.290 nan 0.000 0.546 257 A N -0.358 122.475 122.820 0.021 0.000 2.354 257 A HA 0.700 5.020 4.320 0.000 0.000 0.321 257 A C -0.627 176.870 177.584 -0.144 0.000 1.125 257 A CA -0.472 51.498 52.037 -0.111 0.000 0.799 257 A CB 1.770 20.737 19.000 -0.055 0.000 1.293 257 A HN 0.193 nan 8.150 nan 0.000 0.452 258 V N 2.962 122.690 119.914 -0.310 0.000 2.427 258 V HA 0.134 4.254 4.120 0.000 0.000 0.268 258 V C -0.249 175.828 176.094 -0.030 0.000 1.046 258 V CA -0.568 61.611 62.300 -0.202 0.000 0.970 258 V CB 0.236 31.899 31.823 -0.266 0.000 1.001 258 V HN 0.739 nan 8.190 nan 0.000 0.476 259 N N 5.946 124.687 118.700 0.069 0.000 2.422 259 N HA 0.526 5.266 4.740 0.000 0.000 0.266 259 N C -0.694 174.823 175.510 0.013 0.000 1.007 259 N CA -0.168 52.904 53.050 0.036 0.000 0.941 259 N CB 1.995 40.517 38.487 0.059 0.000 1.115 259 N HN 0.549 nan 8.380 nan 0.000 0.492 260 I N 1.418 121.976 120.570 -0.019 0.000 2.439 260 I HA 0.394 4.564 4.170 0.000 0.000 0.285 260 I C -0.110 175.974 176.117 -0.054 0.000 1.021 260 I CA -0.895 60.382 61.300 -0.038 0.000 1.091 260 I CB 1.707 39.681 38.000 -0.043 0.000 1.242 260 I HN 0.340 nan 8.210 nan 0.000 0.439 261 A N 6.462 129.244 122.820 -0.063 0.000 2.301 261 A HA 0.778 5.099 4.320 0.000 0.000 0.312 261 A C -0.327 177.205 177.584 -0.087 0.000 1.182 261 A CA -0.539 51.453 52.037 -0.074 0.000 0.826 261 A CB 1.132 20.087 19.000 -0.075 0.000 1.134 261 A HN 0.580 nan 8.150 nan 0.000 0.501 262 V N 0.940 120.794 119.914 -0.100 0.000 2.417 262 V HA 0.759 4.879 4.120 0.000 0.000 0.291 262 V C -0.603 175.421 176.094 -0.116 0.000 1.024 262 V CA -0.825 61.406 62.300 -0.115 0.000 0.861 262 V CB 1.212 32.954 31.823 -0.136 0.000 0.985 262 V HN 0.855 nan 8.190 nan 0.000 0.436 263 N N 2.762 121.402 118.700 -0.101 0.000 2.260 263 N HA 0.879 5.619 4.740 0.000 0.000 0.293 263 N C -0.121 175.354 175.510 -0.058 0.000 1.058 263 N CA 0.712 53.710 53.050 -0.087 0.000 0.824 263 N CB 2.331 40.780 38.487 -0.063 0.000 1.551 263 N HN 1.341 nan 8.380 nan 0.000 0.475 264 G N 1.513 110.278 108.800 -0.057 0.000 2.384 264 G HA2 -0.004 3.956 3.960 0.000 0.000 0.150 264 G HA3 -0.004 3.956 3.960 0.000 0.000 0.150 264 G C -0.657 174.228 174.900 -0.026 0.000 1.269 264 G CA -0.247 44.885 45.100 0.053 0.000 1.094 264 G HN 0.600 nan 8.290 nan 0.000 0.467 265 H N -0.387 118.602 119.070 -0.135 0.000 3.580 265 H HA 0.292 4.848 4.556 0.000 0.000 0.245 265 H C 0.628 175.722 175.328 -0.391 0.000 1.015 265 H CA 0.227 56.147 56.048 -0.214 0.000 1.113 265 H CB 0.453 30.074 29.762 -0.235 0.000 1.469 265 H HN 0.338 nan 8.280 nan 0.000 0.554 266 N N 3.923 122.495 118.700 -0.214 0.000 2.401 266 N HA 0.046 4.786 4.740 0.000 0.000 0.255 266 N C -1.678 173.765 175.510 -0.111 0.000 1.110 266 N CA -1.656 51.291 53.050 -0.172 0.000 0.949 266 N CB 1.236 39.705 38.487 -0.031 0.000 1.110 266 N HN 0.065 nan 8.380 nan 0.000 0.490 267 P HA -0.133 nan 4.420 nan 0.000 0.226 267 P C 1.294 178.396 177.300 -0.330 0.000 1.153 267 P CA 0.909 63.856 63.100 -0.255 0.000 0.777 267 P CB 0.236 31.750 31.700 -0.310 0.000 0.794 268 M N -1.296 118.273 119.600 -0.052 0.000 2.260 268 M HA -0.165 4.315 4.480 0.000 0.000 0.261 268 M C 1.890 178.336 176.300 0.243 0.000 1.066 268 M CA 1.448 56.888 55.300 0.232 0.000 1.082 268 M CB -0.400 32.317 32.600 0.195 0.000 1.388 268 M HN 0.010 nan 8.290 nan 0.000 0.419 269 L N -0.705 120.428 121.223 -0.151 0.000 2.187 269 L HA 0.011 4.351 4.340 0.000 0.000 0.197 269 L C 2.529 179.223 176.870 -0.294 0.000 1.090 269 L CA 1.996 56.525 54.840 -0.518 0.000 0.781 269 L CB -1.129 40.394 42.059 -0.894 0.000 0.956 269 L HN 0.289 nan 8.230 nan 0.000 0.463 270 S N -0.999 114.538 115.700 -0.271 0.000 2.372 270 S HA -0.316 4.154 4.470 0.000 0.000 0.227 270 S C 1.958 176.427 174.600 -0.217 0.000 1.044 270 S CA 1.671 59.734 58.200 -0.228 0.000 1.050 270 S CB -1.259 61.811 63.200 -0.217 0.000 0.901 270 S HN 0.649 nan 8.310 nan 0.000 0.447 271 D N 1.335 121.575 120.400 -0.267 0.000 2.116 271 D HA -0.125 4.515 4.640 0.000 0.000 0.193 271 D C 1.997 178.234 176.300 -0.105 0.000 0.998 271 D CA 1.582 55.424 54.000 -0.263 0.000 0.836 271 D CB -0.136 40.396 40.800 -0.447 0.000 0.951 271 D HN 0.353 nan 8.370 nan 0.000 0.449 272 I N 1.415 121.984 120.570 -0.002 0.000 2.286 272 I HA -0.226 3.944 4.170 0.000 0.000 0.248 272 I C 2.603 178.703 176.117 -0.027 0.000 1.115 272 I CA 0.620 61.935 61.300 0.025 0.000 1.392 272 I CB -0.970 37.090 38.000 0.101 0.000 1.065 272 I HN 0.154 nan 8.210 nan 0.000 0.418 273 I N 0.125 120.653 120.570 -0.070 0.000 2.226 273 I HA -0.328 3.842 4.170 0.000 0.000 0.245 273 I C 2.689 178.754 176.117 -0.086 0.000 1.100 273 I CA 1.069 62.322 61.300 -0.078 0.000 1.374 273 I CB -0.341 37.592 38.000 -0.112 0.000 1.057 273 I HN 0.244 nan 8.210 nan 0.000 0.413 274 C N 0.516 119.741 119.300 -0.125 0.000 2.413 274 C HA -0.177 4.283 4.460 0.000 0.000 0.277 274 C C 2.428 177.363 174.990 -0.091 0.000 1.265 274 C CA 0.695 59.631 59.018 -0.137 0.000 1.752 274 C CB -1.019 26.572 27.740 -0.249 0.000 1.998 274 C HN 0.531 nan 8.230 nan 0.000 0.489 275 D N 0.658 121.016 120.400 -0.070 0.000 2.075 275 D HA -0.093 4.547 4.640 0.000 0.000 0.196 275 D C 2.198 178.484 176.300 -0.024 0.000 0.985 275 D CA 1.319 55.301 54.000 -0.029 0.000 0.834 275 D CB -0.520 40.277 40.800 -0.006 0.000 0.987 275 D HN 0.263 nan 8.370 nan 0.000 0.452 276 V N 1.995 121.895 119.914 -0.023 0.000 2.453 276 V HA -0.272 3.848 4.120 0.000 0.000 0.252 276 V C 2.543 178.623 176.094 -0.025 0.000 1.068 276 V CA 1.757 64.046 62.300 -0.018 0.000 1.070 276 V CB -0.903 30.914 31.823 -0.010 0.000 0.664 276 V HN 0.169 nan 8.190 nan 0.000 0.461 277 A N 0.275 123.073 122.820 -0.037 0.000 1.865 277 A HA -0.150 4.170 4.320 0.000 0.000 0.217 277 A C 2.497 180.059 177.584 -0.037 0.000 1.191 277 A CA 2.277 54.289 52.037 -0.042 0.000 0.623 277 A CB -0.950 18.017 19.000 -0.055 0.000 0.826 277 A HN 0.595 nan 8.150 nan 0.000 0.444 278 A N 0.199 123.000 122.820 -0.031 0.000 1.883 278 A HA -0.246 4.074 4.320 0.000 0.000 0.217 278 A C 1.782 179.354 177.584 -0.019 0.000 1.186 278 A CA 2.038 54.062 52.037 -0.023 0.000 0.624 278 A CB -0.752 18.240 19.000 -0.013 0.000 0.822 278 A HN 0.534 nan 8.150 nan 0.000 0.444 279 D N 0.046 120.437 120.400 -0.016 0.000 2.087 279 D HA -0.137 4.503 4.640 0.000 0.000 0.192 279 D C 1.289 177.578 176.300 -0.017 0.000 0.993 279 D CA 1.148 55.140 54.000 -0.013 0.000 0.828 279 D CB -0.555 40.239 40.800 -0.010 0.000 0.968 279 D HN 0.286 nan 8.370 nan 0.000 0.448 280 L N 1.900 123.111 121.223 -0.021 0.000 2.786 280 L HA -0.046 4.294 4.340 0.000 0.000 0.250 280 L C 2.049 178.898 176.870 -0.035 0.000 1.151 280 L CA 0.387 55.212 54.840 -0.024 0.000 0.910 280 L CB -0.931 41.114 42.059 -0.024 0.000 1.082 280 L HN 0.039 nan 8.230 nan 0.000 0.433 281 R N -1.033 119.446 120.500 -0.034 0.000 2.341 281 R HA -0.129 4.211 4.340 0.000 0.000 0.213 281 R C 0.347 176.622 176.300 -0.042 0.000 1.082 281 R CA 1.259 57.333 56.100 -0.042 0.000 1.017 281 R CB -0.382 29.898 30.300 -0.033 0.000 0.860 281 R HN 0.281 nan 8.270 nan 0.000 0.473 282 D N 0.417 120.799 120.400 -0.031 0.000 2.422 282 D HA -0.012 4.628 4.640 0.000 0.000 0.218 282 D C 1.447 177.732 176.300 -0.025 0.000 1.047 282 D CA 0.302 54.287 54.000 -0.025 0.000 0.885 282 D CB 0.058 40.849 40.800 -0.015 0.000 1.035 282 D HN 0.404 nan 8.370 nan 0.000 0.502 283 E N 0.525 120.710 120.200 -0.025 0.000 2.204 283 E HA -0.066 4.284 4.350 0.000 0.000 0.194 283 E C 1.749 178.329 176.600 -0.033 0.000 0.989 283 E CA 0.694 57.083 56.400 -0.019 0.000 0.824 283 E CB 0.239 29.930 29.700 -0.014 0.000 0.756 283 E HN 0.166 nan 8.360 nan 0.000 0.477 284 A N 0.831 123.613 122.820 -0.064 0.000 1.850 284 A HA -0.063 4.257 4.320 0.000 0.000 0.212 284 A C 2.072 179.580 177.584 -0.126 0.000 1.208 284 A CA 0.677 52.639 52.037 -0.124 0.000 0.609 284 A CB -0.520 18.380 19.000 -0.167 0.000 0.860 284 A HN 0.228 nan 8.150 nan 0.000 0.448 285 I N 0.279 120.794 120.570 -0.091 0.000 2.194 285 I HA -0.367 3.804 4.170 0.000 0.000 0.246 285 I C 2.971 179.076 176.117 -0.021 0.000 1.093 285 I CA 1.205 62.470 61.300 -0.060 0.000 1.355 285 I CB -0.438 37.541 38.000 -0.036 0.000 1.046 285 I HN 0.387 nan 8.210 nan 0.000 0.413 286 A N 0.966 123.778 122.820 -0.012 0.000 1.865 286 A HA -0.217 4.103 4.320 0.000 0.000 0.217 286 A C 2.469 180.074 177.584 0.036 0.000 1.191 286 A CA 2.021 54.064 52.037 0.011 0.000 0.623 286 A CB -1.031 17.974 19.000 0.008 0.000 0.826 286 A HN 0.451 nan 8.150 nan 0.000 0.444 287 A N -1.891 120.951 122.820 0.038 0.000 2.272 287 A HA 0.316 4.636 4.320 0.000 0.000 0.213 287 A C 1.802 179.507 177.584 0.201 0.000 1.183 287 A CA 1.582 53.682 52.037 0.105 0.000 0.719 287 A CB -1.191 17.875 19.000 0.109 0.000 0.771 287 A HN 2.146 nan 8.150 nan 0.000 0.484 288 G N -3.097 105.790 108.800 0.145 0.000 2.138 288 G HA2 0.173 4.133 3.960 0.000 0.000 0.193 288 G HA3 0.173 4.133 3.960 0.000 0.000 0.193 288 G C 0.194 175.260 174.900 0.276 0.000 0.998 288 G CA 0.026 45.267 45.100 0.236 0.000 0.668 288 G HN 1.625 nan 8.290 nan 0.000 0.516 289 A N 0.323 123.104 122.820 -0.065 0.000 2.621 289 A HA 0.876 5.196 4.320 0.000 0.000 0.329 289 A C 1.549 179.056 177.584 -0.129 0.000 1.458 289 A CA 0.887 52.712 52.037 -0.355 0.000 1.052 289 A CB 0.266 18.845 19.000 -0.701 0.000 1.142 289 A HN 1.750 nan 8.150 nan 0.000 0.523 290 A N 2.263 125.072 122.820 -0.017 0.000 1.859 290 A HA -0.194 4.126 4.320 0.000 0.000 0.218 290 A C 1.492 179.059 177.584 -0.027 0.000 1.209 290 A CA 1.905 53.941 52.037 -0.001 0.000 0.639 290 A CB -0.458 18.564 19.000 0.035 0.000 0.835 290 A HN 0.760 nan 8.150 nan 0.000 0.450 291 E N -0.548 119.632 120.200 -0.033 0.000 2.463 291 E HA 0.349 4.699 4.350 0.000 0.000 0.191 291 E C 1.125 177.687 176.600 -0.065 0.000 1.083 291 E CA 0.112 56.491 56.400 -0.035 0.000 0.872 291 E CB -0.308 29.383 29.700 -0.015 0.000 0.966 291 E HN 0.770 nan 8.360 nan 0.000 0.491 292 G N 1.998 110.734 108.800 -0.107 0.000 2.509 292 G HA2 -0.318 3.642 3.960 0.000 0.000 0.259 292 G HA3 -0.318 3.642 3.960 0.000 0.000 0.259 292 G C -0.144 174.660 174.900 -0.160 0.000 1.169 292 G CA -0.342 44.682 45.100 -0.127 0.000 0.953 292 G HN 0.212 nan 8.290 nan 0.000 0.563 293 I N 1.712 122.214 120.570 -0.113 0.000 2.321 293 I HA 0.364 4.534 4.170 0.000 0.000 0.291 293 I C -0.127 175.948 176.117 -0.070 0.000 0.998 293 I CA -0.470 60.768 61.300 -0.103 0.000 1.227 293 I CB 1.628 39.578 38.000 -0.083 0.000 1.368 293 I HN 0.460 nan 8.210 nan 0.000 0.466 294 N N 8.462 127.126 118.700 -0.060 0.000 2.707 294 N HA 0.334 5.074 4.740 0.000 0.000 0.235 294 N C -0.623 174.867 175.510 -0.035 0.000 1.028 294 N CA -0.590 52.438 53.050 -0.037 0.000 0.906 294 N CB 0.554 39.029 38.487 -0.020 0.000 1.131 294 N HN 0.527 nan 8.380 nan 0.000 0.509 295 I N 1.693 122.236 120.570 -0.044 0.000 2.371 295 I HA 0.430 4.601 4.170 0.000 0.000 0.290 295 I C 0.014 176.102 176.117 -0.049 0.000 1.028 295 I CA -0.801 60.468 61.300 -0.053 0.000 1.345 295 I CB 0.493 38.451 38.000 -0.070 0.000 1.407 295 I HN 0.318 nan 8.210 nan 0.000 0.501 296 I N 3.190 123.731 120.570 -0.049 0.000 2.603 296 I HA 0.891 5.061 4.170 0.000 0.000 0.300 296 I C 0.294 176.369 176.117 -0.070 0.000 1.017 296 I CA -0.703 60.569 61.300 -0.047 0.000 1.098 296 I CB 1.781 39.762 38.000 -0.033 0.000 1.279 296 I HN 0.680 nan 8.210 nan 0.000 0.437 297 G N 5.157 113.910 108.800 -0.079 0.000 2.488 297 G HA2 0.763 4.723 3.960 0.000 0.000 0.318 297 G HA3 0.763 4.723 3.960 0.000 0.000 0.318 297 G C -0.837 173.982 174.900 -0.134 0.000 1.188 297 G CA -0.810 44.219 45.100 -0.117 0.000 0.944 297 G HN 0.664 nan 8.290 nan 0.000 0.495 298 I N -0.302 120.164 120.570 -0.173 0.000 2.610 298 I HA 0.257 4.427 4.170 0.000 0.000 0.289 298 I C 0.111 176.090 176.117 -0.230 0.000 1.163 298 I CA -0.398 60.801 61.300 -0.168 0.000 1.044 298 I CB 1.464 39.400 38.000 -0.107 0.000 1.251 298 I HN 0.784 nan 8.210 nan 0.000 0.424 299 C N 2.618 121.751 119.300 -0.280 0.000 0.168 299 C HA -0.282 4.178 4.460 0.000 0.000 0.017 299 C C 2.334 177.052 174.990 -0.452 0.000 0.171 299 C CA 0.007 58.874 59.018 -0.252 0.000 0.499 299 C CB -1.615 26.069 27.740 -0.094 0.000 3.212 299 C HN 1.042 nan 8.230 nan 0.000 1.118 300 C N -0.119 119.039 119.300 -0.236 0.000 2.388 300 C HA -0.163 4.297 4.460 0.000 0.000 0.277 300 C C 2.772 177.664 174.990 -0.164 0.000 1.210 300 C CA 2.340 61.283 59.018 -0.125 0.000 1.743 300 C CB -1.665 25.768 27.740 -0.512 0.000 2.047 300 C HN 1.031 nan 8.230 nan 0.000 0.458 301 T N -0.106 114.291 114.554 -0.263 0.000 2.803 301 T HA -0.095 4.255 4.350 0.000 0.000 0.269 301 T C 1.726 176.324 174.700 -0.170 0.000 1.052 301 T CA 2.067 64.058 62.100 -0.180 0.000 1.136 301 T CB -0.490 68.272 68.868 -0.176 0.000 0.864 301 T HN 0.671 nan 8.240 nan 0.000 0.467 302 G N -0.687 107.971 108.800 -0.237 0.000 2.402 302 G HA2 -0.156 3.805 3.960 0.000 0.000 0.216 302 G HA3 -0.156 3.805 3.960 0.000 0.000 0.216 302 G C 1.225 176.015 174.900 -0.183 0.000 1.162 302 G CA 0.856 45.813 45.100 -0.238 0.000 0.777 302 G HN 0.648 nan 8.290 nan 0.000 0.539 303 H N 0.195 119.259 119.070 -0.010 0.000 2.423 303 H HA 0.035 4.591 4.556 0.000 0.000 0.297 303 H C 2.570 177.880 175.328 -0.030 0.000 1.075 303 H CA 1.066 57.133 56.048 0.030 0.000 1.342 303 H CB 0.306 30.146 29.762 0.130 0.000 1.395 303 H HN 0.235 nan 8.280 nan 0.000 0.530 304 E N 0.605 120.841 120.200 0.060 0.000 2.031 304 E HA -0.141 4.209 4.350 0.000 0.000 0.193 304 E C 2.509 179.117 176.600 0.012 0.000 0.994 304 E CA 1.645 58.059 56.400 0.022 0.000 0.800 304 E CB -0.363 29.320 29.700 -0.028 0.000 0.752 304 E HN 0.502 nan 8.360 nan 0.000 0.447 305 V N -0.965 118.933 119.914 -0.028 0.000 2.871 305 V HA -0.042 4.079 4.120 0.000 0.000 0.256 305 V C 2.311 178.440 176.094 0.058 0.000 1.082 305 V CA 1.375 63.675 62.300 -0.001 0.000 1.105 305 V CB -0.540 31.210 31.823 -0.121 0.000 0.713 305 V HN 0.097 nan 8.190 nan 0.000 0.473 306 M N -0.751 118.862 119.600 0.021 0.000 2.288 306 M HA -0.021 4.460 4.480 0.000 0.000 0.266 306 M C 2.147 178.446 176.300 -0.001 0.000 1.072 306 M CA 1.570 56.886 55.300 0.026 0.000 1.132 306 M CB 0.025 32.652 32.600 0.045 0.000 1.386 306 M HN 0.283 nan 8.290 nan 0.000 0.432 307 M N 0.087 119.664 119.600 -0.040 0.000 2.098 307 M HA -0.117 4.363 4.480 0.000 0.000 0.262 307 M C 2.141 178.421 176.300 -0.034 0.000 1.072 307 M CA 1.704 56.953 55.300 -0.086 0.000 1.133 307 M CB -1.059 31.484 32.600 -0.096 0.000 1.344 307 M HN 0.309 nan 8.290 nan 0.000 0.414 308 R N -1.062 119.454 120.500 0.026 0.000 2.055 308 R HA -0.039 4.301 4.340 0.000 0.000 0.228 308 R C 0.456 176.641 176.300 -0.193 0.000 1.143 308 R CA 0.924 56.986 56.100 -0.062 0.000 0.945 308 R CB -0.275 30.034 30.300 0.016 0.000 0.841 308 R HN 0.414 nan 8.270 nan 0.000 0.429 309 H N -2.248 116.815 119.070 -0.012 0.000 2.649 309 H HA 0.283 4.839 4.556 0.000 0.000 0.337 309 H C 1.188 176.509 175.328 -0.011 0.000 1.282 309 H CA -0.327 55.716 56.048 -0.008 0.000 1.333 309 H CB 0.531 30.290 29.762 -0.006 0.000 1.787 309 H HN 0.142 nan 8.280 nan 0.000 0.632 310 G N -0.154 108.723 108.800 0.128 0.000 2.509 310 G HA2 -0.103 3.857 3.960 0.000 0.000 0.218 310 G HA3 -0.103 3.857 3.960 0.000 0.000 0.218 310 G C -0.091 174.845 174.900 0.060 0.000 1.124 310 G CA 0.247 45.390 45.100 0.072 0.000 0.776 310 G HN 0.442 nan 8.290 nan 0.000 0.547 311 V N 3.437 123.385 119.914 0.056 0.000 2.996 311 V HA -0.052 4.068 4.120 0.000 0.000 0.289 311 V C -1.389 174.716 176.094 0.018 0.000 1.171 311 V CA -0.447 61.861 62.300 0.014 0.000 1.298 311 V CB -0.282 31.526 31.823 -0.024 0.000 0.803 311 V HN 0.278 nan 8.190 nan 0.000 0.448 312 P HA 0.177 nan 4.420 nan 0.000 0.276 312 P C -0.545 176.762 177.300 0.012 0.000 1.230 312 P CA -0.572 62.545 63.100 0.028 0.000 0.776 312 P CB 1.303 33.020 31.700 0.028 0.000 0.888 313 L N 3.495 124.736 121.223 0.030 0.000 2.281 313 L HA 0.391 4.732 4.340 0.000 0.000 0.285 313 L C 1.359 178.232 176.870 0.004 0.000 1.074 313 L CA 0.013 54.855 54.840 0.004 0.000 0.817 313 L CB 0.451 42.539 42.059 0.049 0.000 1.168 313 L HN 0.509 nan 8.230 nan 0.000 0.434 314 A N 3.403 126.207 122.820 -0.025 0.000 1.872 314 A HA 0.202 4.522 4.320 0.000 0.000 0.214 314 A C 1.047 178.625 177.584 -0.011 0.000 1.187 314 A CA 1.460 53.487 52.037 -0.016 0.000 0.614 314 A CB -0.223 18.756 19.000 -0.034 0.000 0.826 314 A HN 0.774 nan 8.150 nan 0.000 0.442 315 T N -3.448 111.091 114.554 -0.025 0.000 2.669 315 T HA 0.370 4.720 4.350 0.000 0.000 0.305 315 T C -1.104 173.590 174.700 -0.011 0.000 1.838 315 T CA -0.099 61.998 62.100 -0.006 0.000 0.978 315 T CB -0.132 68.731 68.868 -0.008 0.000 1.851 315 T HN 0.491 nan 8.240 nan 0.000 0.503 316 N N 0.294 119.012 118.700 0.030 0.000 2.592 316 N HA 0.310 5.050 4.740 0.000 0.000 0.290 316 N C 0.905 176.460 175.510 0.075 0.000 1.364 316 N CA -0.259 52.834 53.050 0.071 0.000 0.878 316 N CB -0.749 37.811 38.487 0.122 0.000 1.104 316 N HN 0.577 nan 8.380 nan 0.000 0.485 317 Y N 0.027 120.322 120.300 -0.008 0.000 2.090 317 Y HA 0.117 4.667 4.550 0.000 0.000 0.274 317 Y C 2.063 177.903 175.900 -0.101 0.000 1.110 317 Y CA 1.450 59.524 58.100 -0.043 0.000 1.092 317 Y CB -0.757 37.682 38.460 -0.035 0.000 0.992 317 Y HN 0.309 nan 8.280 nan 0.000 0.479 318 L N 0.008 121.015 121.223 -0.359 0.000 2.129 318 L HA -0.230 4.110 4.340 0.000 0.000 0.212 318 L C 1.955 178.535 176.870 -0.483 0.000 1.087 318 L CA 1.869 56.332 54.840 -0.629 0.000 0.757 318 L CB -0.749 41.000 42.059 -0.516 0.000 0.896 318 L HN 0.369 nan 8.230 nan 0.000 0.434 319 S N -1.154 114.469 115.700 -0.128 0.000 2.634 319 S HA -0.038 4.432 4.470 0.000 0.000 0.221 319 S C 1.496 176.062 174.600 -0.057 0.000 0.952 319 S CA -0.208 58.018 58.200 0.044 0.000 0.930 319 S CB -0.068 63.210 63.200 0.130 0.000 0.780 319 S HN 0.556 nan 8.310 nan 0.000 0.498 320 Q N 1.660 121.366 119.800 -0.157 0.000 2.439 320 Q HA -0.111 4.230 4.340 0.000 0.000 0.211 320 Q C 1.210 177.135 176.000 -0.126 0.000 0.978 320 Q CA 1.404 57.126 55.803 -0.135 0.000 0.897 320 Q CB -0.605 28.039 28.738 -0.157 0.000 0.956 320 Q HN 0.716 nan 8.270 nan 0.000 0.483 321 E N 0.711 120.835 120.200 -0.127 0.000 2.216 321 E HA -0.021 4.330 4.350 0.000 0.000 0.192 321 E C 1.807 178.352 176.600 -0.091 0.000 0.973 321 E CA 0.046 56.379 56.400 -0.112 0.000 0.851 321 E CB 0.088 29.722 29.700 -0.109 0.000 0.804 321 E HN 0.183 nan 8.360 nan 0.000 0.477 322 L N 1.196 122.393 121.223 -0.043 0.000 2.129 322 L HA -0.128 4.212 4.340 0.000 0.000 0.212 322 L C -0.550 176.273 176.870 -0.077 0.000 1.087 322 L CA 1.732 56.550 54.840 -0.037 0.000 0.757 322 L CB -2.171 39.888 42.059 -0.001 0.000 0.896 322 L HN 0.083 nan 8.230 nan 0.000 0.434 323 P HA -0.121 nan 4.420 nan 0.000 0.218 323 P C 2.123 179.326 177.300 -0.161 0.000 1.149 323 P CA 1.113 64.155 63.100 -0.096 0.000 0.817 323 P CB 0.117 31.766 31.700 -0.086 0.000 0.785 324 I N -1.262 119.165 120.570 -0.239 0.000 2.226 324 I HA -0.213 3.957 4.170 0.000 0.000 0.245 324 I C 2.138 177.826 176.117 -0.715 0.000 1.100 324 I CA 1.275 62.303 61.300 -0.453 0.000 1.374 324 I CB -0.816 36.905 38.000 -0.465 0.000 1.057 324 I HN -0.102 nan 8.210 nan 0.000 0.413 325 L N 0.100 121.071 121.223 -0.419 0.000 2.187 325 L HA -0.205 4.135 4.340 0.000 0.000 0.213 325 L C 2.552 179.414 176.870 -0.013 0.000 1.100 325 L CA 1.274 56.008 54.840 -0.176 0.000 0.765 325 L CB -1.314 40.753 42.059 0.014 0.000 0.904 325 L HN 0.260 nan 8.230 nan 0.000 0.437 326 T N -0.066 114.451 114.554 -0.062 0.000 2.822 326 T HA -0.160 4.191 4.350 0.000 0.000 0.270 326 T C 1.496 176.264 174.700 0.114 0.000 1.064 326 T CA 1.500 63.618 62.100 0.031 0.000 1.131 326 T CB -0.422 68.450 68.868 0.007 0.000 0.858 326 T HN 0.737 nan 8.240 nan 0.000 0.483 327 G N 0.188 109.048 108.800 0.100 0.000 2.148 327 G HA2 -0.167 3.793 3.960 0.000 0.000 0.254 327 G HA3 -0.167 3.793 3.960 0.000 0.000 0.254 327 G C 0.515 175.598 174.900 0.304 0.000 0.981 327 G CA 0.259 45.577 45.100 0.364 0.000 0.670 327 G HN 0.905 nan 8.290 nan 0.000 0.528 328 A N -0.984 121.952 122.820 0.193 0.000 2.609 328 A HA 0.711 5.032 4.320 0.000 0.000 0.286 328 A C 0.315 178.012 177.584 0.188 0.000 1.138 328 A CA 0.315 52.471 52.037 0.200 0.000 0.960 328 A CB 0.412 19.491 19.000 0.131 0.000 1.208 328 A HN 1.121 nan 8.150 nan 0.000 0.541 329 L N 0.585 121.872 121.223 0.107 0.000 2.272 329 L HA 0.522 4.862 4.340 0.000 0.000 0.284 329 L C 0.790 177.600 176.870 -0.100 0.000 1.045 329 L CA -0.098 54.734 54.840 -0.012 0.000 0.842 329 L CB 0.753 42.742 42.059 -0.117 0.000 1.224 329 L HN 0.236 nan 8.230 nan 0.000 0.430 330 E N 3.267 123.502 120.200 0.059 0.000 2.058 330 E HA 0.105 4.455 4.350 0.000 0.000 0.194 330 E C 0.243 176.796 176.600 -0.078 0.000 0.997 330 E CA 1.493 57.926 56.400 0.054 0.000 0.801 330 E CB -0.014 29.799 29.700 0.188 0.000 0.746 330 E HN 0.695 nan 8.360 nan 0.000 0.450 331 A N -0.717 122.067 122.820 -0.059 0.000 2.612 331 A HA 0.666 4.986 4.320 0.000 0.000 0.293 331 A C -1.431 176.110 177.584 -0.073 0.000 1.075 331 A CA -0.655 51.339 52.037 -0.071 0.000 0.680 331 A CB 1.288 20.267 19.000 -0.036 0.000 1.279 331 A HN 0.087 nan 8.150 nan 0.000 0.411 332 M N 2.285 121.839 119.600 -0.075 0.000 2.093 332 M HA 0.533 5.014 4.480 0.000 0.000 0.297 332 M C -1.827 174.433 176.300 -0.067 0.000 0.938 332 M CA -0.555 54.700 55.300 -0.075 0.000 0.920 332 M CB 1.253 33.804 32.600 -0.082 0.000 1.517 332 M HN 0.448 nan 8.290 nan 0.000 0.427 333 V N 6.050 125.918 119.914 -0.076 0.000 2.364 333 V HA 0.457 4.577 4.120 0.000 0.000 0.272 333 V C -0.097 175.944 176.094 -0.088 0.000 1.036 333 V CA -0.710 61.539 62.300 -0.085 0.000 0.880 333 V CB 0.788 32.546 31.823 -0.108 0.000 0.991 333 V HN 0.668 nan 8.190 nan 0.000 0.460 334 V N 1.999 121.874 119.914 -0.066 0.000 2.628 334 V HA 0.719 4.839 4.120 0.000 0.000 0.306 334 V C 0.171 176.240 176.094 -0.042 0.000 1.045 334 V CA -0.446 61.826 62.300 -0.047 0.000 0.905 334 V CB 1.966 33.780 31.823 -0.016 0.000 0.997 334 V HN 0.767 nan 8.190 nan 0.000 0.436 335 D N 3.509 123.888 120.400 -0.036 0.000 3.094 335 D HA 0.211 4.851 4.640 0.000 0.000 0.267 335 D C 0.171 176.491 176.300 0.033 0.000 1.542 335 D CA 0.366 54.353 54.000 -0.023 0.000 1.157 335 D CB 0.943 41.700 40.800 -0.071 0.000 1.098 335 D HN 0.496 nan 8.370 nan 0.000 0.340 336 V N 1.737 121.677 119.914 0.043 0.000 2.841 336 V HA 0.286 4.406 4.120 0.000 0.000 0.310 336 V C -1.029 175.091 176.094 0.042 0.000 1.090 336 V CA -0.906 61.423 62.300 0.049 0.000 0.930 336 V CB 1.614 33.467 31.823 0.050 0.000 1.014 336 V HN 0.620 nan 8.190 nan 0.000 0.425 337 Q N 2.952 122.752 119.800 -0.001 0.000 3.245 337 Q HA -0.266 4.074 4.340 0.000 0.000 0.028 337 Q C 0.200 176.236 176.000 0.061 0.000 1.716 337 Q CA 0.386 56.160 55.803 -0.049 0.000 0.237 337 Q CB -1.573 27.022 28.738 -0.237 0.000 0.589 337 Q HN 1.422 nan 8.270 nan 0.000 0.323 338 C N 1.003 120.337 119.300 0.056 0.000 4.497 338 C HA -0.170 4.290 4.460 0.000 0.000 0.292 338 C C 0.394 175.525 174.990 0.235 0.000 1.366 338 C CA 0.794 59.907 59.018 0.158 0.000 1.987 338 C CB -2.428 25.441 27.740 0.214 0.000 1.241 338 C HN 0.556 nan 8.230 nan 0.000 0.788 339 I N 0.529 121.185 120.570 0.143 0.000 2.354 339 I HA 0.316 4.486 4.170 0.000 0.000 0.286 339 I C 0.530 176.685 176.117 0.063 0.000 1.007 339 I CA -0.275 61.077 61.300 0.086 0.000 1.167 339 I CB 0.915 38.946 38.000 0.053 0.000 1.320 339 I HN 0.210 nan 8.210 nan 0.000 0.458 340 M N 7.722 127.334 119.600 0.019 0.000 2.252 340 M HA 0.115 4.595 4.480 0.000 0.000 0.348 340 M C -1.510 174.781 176.300 -0.015 0.000 1.334 340 M CA -1.049 54.241 55.300 -0.017 0.000 1.071 340 M CB 0.283 32.812 32.600 -0.117 0.000 1.763 340 M HN 0.262 nan 8.290 nan 0.000 0.452 341 P HA -0.074 nan 4.420 nan 0.000 0.234 341 P C 0.957 178.252 177.300 -0.009 0.000 1.167 341 P CA 0.821 63.920 63.100 -0.000 0.000 0.763 341 P CB 0.036 31.740 31.700 0.006 0.000 0.835 342 S N -1.144 114.541 115.700 -0.025 0.000 2.461 342 S HA -0.055 4.415 4.470 0.000 0.000 0.228 342 S C 1.854 176.438 174.600 -0.027 0.000 1.005 342 S CA 0.428 58.612 58.200 -0.026 0.000 0.942 342 S CB -1.228 61.946 63.200 -0.044 0.000 0.776 342 S HN -0.068 nan 8.310 nan 0.000 0.514 343 L N 2.322 123.521 121.223 -0.039 0.000 2.010 343 L HA -0.074 4.266 4.340 0.000 0.000 0.219 343 L C -0.331 176.523 176.870 -0.026 0.000 1.077 343 L CA 2.223 57.037 54.840 -0.045 0.000 0.773 343 L CB -2.788 39.242 42.059 -0.049 0.000 0.892 343 L HN 0.258 nan 8.230 nan 0.000 0.436 344 P HA -0.172 nan 4.420 nan 0.000 0.214 344 P C 1.756 179.066 177.300 0.016 0.000 1.163 344 P CA 1.532 64.634 63.100 0.004 0.000 0.889 344 P CB -0.119 31.588 31.700 0.011 0.000 0.790 345 R N -0.801 119.710 120.500 0.018 0.000 2.088 345 R HA -0.150 4.191 4.340 0.000 0.000 0.232 345 R C 2.236 178.568 176.300 0.054 0.000 1.136 345 R CA 1.607 57.727 56.100 0.033 0.000 0.926 345 R CB -1.702 28.614 30.300 0.028 0.000 0.837 345 R HN 0.140 nan 8.270 nan 0.000 0.429 346 I N 1.426 122.020 120.570 0.040 0.000 2.181 346 I HA -0.324 3.847 4.170 0.000 0.000 0.247 346 I C 2.566 178.745 176.117 0.104 0.000 1.081 346 I CA 1.900 63.237 61.300 0.062 0.000 1.340 346 I CB -0.633 37.363 38.000 -0.006 0.000 1.036 346 I HN 0.278 nan 8.210 nan 0.000 0.417 347 A N -0.154 122.689 122.820 0.038 0.000 2.014 347 A HA -0.104 4.216 4.320 0.000 0.000 0.218 347 A C 2.358 180.026 177.584 0.140 0.000 1.163 347 A CA 1.602 53.663 52.037 0.039 0.000 0.652 347 A CB -1.061 17.918 19.000 -0.034 0.000 0.808 347 A HN 0.454 nan 8.150 nan 0.000 0.449 348 E N -0.951 119.315 120.200 0.111 0.000 2.267 348 E HA -0.213 4.137 4.350 0.000 0.000 0.197 348 E C 1.680 178.359 176.600 0.132 0.000 0.998 348 E CA 1.534 57.994 56.400 0.100 0.000 0.830 348 E CB -1.573 28.166 29.700 0.065 0.000 0.751 348 E HN 0.742 nan 8.360 nan 0.000 0.491 349 C N -0.698 118.729 119.300 0.213 0.000 2.500 349 C HA 0.394 4.854 4.460 0.000 0.000 0.273 349 C C 0.823 175.832 174.990 0.031 0.000 1.428 349 C CA -0.377 58.718 59.018 0.129 0.000 1.766 349 C CB -1.369 26.463 27.740 0.152 0.000 1.817 349 C HN 0.569 nan 8.230 nan 0.000 0.543 350 F N -0.517 119.463 119.950 0.051 0.000 3.145 350 F HA 0.320 4.847 4.527 0.000 0.000 0.324 350 F C 1.722 177.605 175.800 0.138 0.000 1.467 350 F CA -0.543 57.528 58.000 0.119 0.000 1.048 350 F CB -0.357 38.732 39.000 0.147 0.000 1.698 350 F HN -0.001 nan 8.300 nan 0.000 0.427 351 H N -1.878 117.342 119.070 0.250 0.000 2.750 351 H HA 0.246 4.802 4.556 0.000 0.000 0.263 351 H C -0.022 175.363 175.328 0.095 0.000 0.964 351 H CA 0.486 56.607 56.048 0.122 0.000 1.205 351 H CB -1.414 28.399 29.762 0.085 0.000 1.454 351 H HN 0.259 nan 8.280 nan 0.000 0.503 352 T N 3.575 117.825 114.554 -0.506 0.000 2.903 352 T HA -0.024 4.326 4.350 0.000 0.000 0.299 352 T C 0.306 174.912 174.700 -0.157 0.000 1.041 352 T CA 0.370 62.222 62.100 -0.414 0.000 1.138 352 T CB 0.761 69.421 68.868 -0.347 0.000 1.040 352 T HN 0.312 nan 8.240 nan 0.000 0.524 353 Q N 1.955 121.683 119.800 -0.121 0.000 2.307 353 Q HA 0.388 4.728 4.340 0.000 0.000 0.262 353 Q C -0.487 175.482 176.000 -0.053 0.000 0.961 353 Q CA -0.668 55.103 55.803 -0.053 0.000 0.882 353 Q CB 1.826 30.548 28.738 -0.026 0.000 1.264 353 Q HN 0.481 nan 8.270 nan 0.000 0.446 354 I N 4.648 125.199 120.570 -0.031 0.000 2.310 354 I HA 0.318 4.488 4.170 0.000 0.000 0.287 354 I C 0.142 176.255 176.117 -0.006 0.000 1.073 354 I CA -0.421 60.863 61.300 -0.026 0.000 1.216 354 I CB 0.203 38.192 38.000 -0.018 0.000 1.415 354 I HN 0.467 nan 8.210 nan 0.000 0.480 355 I N 6.315 126.875 120.570 -0.018 0.000 2.297 355 I HA 0.162 4.332 4.170 0.000 0.000 0.291 355 I C 0.868 176.975 176.117 -0.016 0.000 1.033 355 I CA -0.363 60.929 61.300 -0.014 0.000 1.253 355 I CB 1.177 39.157 38.000 -0.033 0.000 1.396 355 I HN 0.504 nan 8.210 nan 0.000 0.476 356 T N 0.784 115.355 114.554 0.029 0.000 2.899 356 T HA 0.393 4.744 4.350 0.000 0.000 0.284 356 T C 0.819 175.478 174.700 -0.069 0.000 1.004 356 T CA -0.166 61.975 62.100 0.068 0.000 1.043 356 T CB 1.748 70.757 68.868 0.236 0.000 1.013 356 T HN 0.732 nan 8.240 nan 0.000 0.518 357 T N -3.269 111.261 114.554 -0.039 0.000 3.028 357 T HA 0.220 4.570 4.350 0.000 0.000 0.262 357 T C 0.049 174.767 174.700 0.030 0.000 0.916 357 T CA -0.268 61.752 62.100 -0.133 0.000 0.873 357 T CB 0.151 68.968 68.868 -0.085 0.000 1.232 357 T HN 0.687 nan 8.240 nan 0.000 0.529 358 D N 1.264 121.763 120.400 0.165 0.000 2.175 358 D HA 0.317 4.957 4.640 0.000 0.000 0.248 358 D C 0.689 177.140 176.300 0.252 0.000 1.047 358 D CA -0.385 53.719 54.000 0.174 0.000 0.883 358 D CB 1.943 42.819 40.800 0.126 0.000 1.180 358 D HN 0.058 nan 8.370 nan 0.000 0.438 359 K N 1.470 121.965 120.400 0.159 0.000 2.103 359 K HA -0.167 4.153 4.320 0.000 0.000 0.207 359 K C 0.655 177.403 176.600 0.246 0.000 1.048 359 K CA 1.011 57.385 56.287 0.145 0.000 0.930 359 K CB -0.018 32.507 32.500 0.041 0.000 0.716 359 K HN 0.450 nan 8.250 nan 0.000 0.444 360 H N -0.302 118.817 119.070 0.081 0.000 2.605 360 H HA 0.188 4.745 4.556 0.000 0.000 0.308 360 H C -0.264 175.096 175.328 0.053 0.000 1.080 360 H CA -0.128 55.954 56.048 0.057 0.000 1.119 360 H CB -0.248 29.554 29.762 0.067 0.000 1.479 360 H HN 0.093 nan 8.280 nan 0.000 0.537 361 N N 1.140 119.945 118.700 0.175 0.000 2.679 361 N HA 0.031 4.771 4.740 0.000 0.000 0.240 361 N C -1.044 174.530 175.510 0.107 0.000 1.537 361 N CA -0.102 53.022 53.050 0.123 0.000 0.793 361 N CB 0.607 39.168 38.487 0.123 0.000 1.391 361 N HN 0.173 nan 8.380 nan 0.000 0.524 362 K N 1.137 121.567 120.400 0.050 0.000 2.164 362 K HA 0.577 4.897 4.320 0.000 0.000 0.258 362 K C -0.247 176.364 176.600 0.018 0.000 0.951 362 K CA -0.497 55.797 56.287 0.012 0.000 0.844 362 K CB 2.183 34.619 32.500 -0.106 0.000 1.099 362 K HN 0.212 nan 8.250 nan 0.000 0.435 363 I N 1.465 122.053 120.570 0.030 0.000 2.418 363 I HA 0.124 4.294 4.170 0.000 0.000 0.287 363 I C -0.215 175.913 176.117 0.018 0.000 1.008 363 I CA -0.754 60.560 61.300 0.023 0.000 1.104 363 I CB 2.083 40.100 38.000 0.028 0.000 1.264 363 I HN 0.474 nan 8.210 nan 0.000 0.438 364 S N 4.421 120.127 115.700 0.010 0.000 2.546 364 S HA 0.297 4.767 4.470 0.000 0.000 0.290 364 S C 1.069 175.678 174.600 0.015 0.000 1.262 364 S CA 0.859 59.064 58.200 0.009 0.000 1.083 364 S CB 0.485 63.689 63.200 0.006 0.000 0.859 364 S HN 1.141 nan 8.310 nan 0.000 0.495 365 G N 2.194 111.006 108.800 0.020 0.000 2.376 365 G HA2 -0.121 3.839 3.960 0.000 0.000 0.208 365 G HA3 -0.121 3.839 3.960 0.000 0.000 0.208 365 G C 0.257 175.174 174.900 0.028 0.000 1.032 365 G CA -0.167 44.947 45.100 0.023 0.000 0.641 365 G HN 1.140 nan 8.290 nan 0.000 0.503 366 A N 0.741 123.581 122.820 0.033 0.000 2.386 366 A HA 0.643 4.963 4.320 0.000 0.000 0.246 366 A C 0.874 178.494 177.584 0.060 0.000 1.089 366 A CA 1.349 53.410 52.037 0.041 0.000 0.790 366 A CB 0.085 19.115 19.000 0.049 0.000 1.042 366 A HN 1.716 nan 8.150 nan 0.000 0.497 367 T N -0.579 114.010 114.554 0.059 0.000 2.749 367 T HA 0.466 4.816 4.350 0.000 0.000 0.287 367 T C -0.403 174.360 174.700 0.106 0.000 0.970 367 T CA -0.300 61.844 62.100 0.074 0.000 0.980 367 T CB 0.529 69.425 68.868 0.047 0.000 0.924 367 T HN 0.646 nan 8.240 nan 0.000 0.456 368 H N 2.164 121.248 119.070 0.023 0.000 2.620 368 H HA 0.533 5.089 4.556 0.000 0.000 0.313 368 H C -0.809 174.540 175.328 0.035 0.000 1.075 368 H CA -0.352 55.713 56.048 0.029 0.000 1.397 368 H CB 0.683 30.464 29.762 0.032 0.000 1.446 368 H HN 0.526 nan 8.280 nan 0.000 0.493 369 V N 8.574 128.289 119.914 -0.331 0.000 2.380 369 V HA 0.222 4.342 4.120 0.000 0.000 0.272 369 V C -2.257 173.673 176.094 -0.273 0.000 1.011 369 V CA -1.708 60.479 62.300 -0.187 0.000 0.826 369 V CB 0.977 32.755 31.823 -0.075 0.000 1.040 369 V HN 0.839 nan 8.190 nan 0.000 0.441 370 P HA -0.050 nan 4.420 nan 0.000 0.260 370 P C -0.614 176.705 177.300 0.031 0.000 1.172 370 P CA 0.296 63.343 63.100 -0.089 0.000 0.760 370 P CB 0.076 31.800 31.700 0.041 0.000 0.773 371 F N 4.654 124.551 119.950 -0.089 0.000 2.368 371 F HA 0.197 4.724 4.527 0.000 0.000 0.362 371 F C 0.219 176.015 175.800 -0.007 0.000 1.137 371 F CA -0.723 57.251 58.000 -0.043 0.000 1.161 371 F CB 0.122 39.095 39.000 -0.045 0.000 1.265 371 F HN 0.173 nan 8.300 nan 0.000 0.530 372 D N 5.274 125.434 120.400 -0.399 0.000 2.359 372 D HA 0.073 4.713 4.640 0.000 0.000 0.230 372 D C 0.689 176.642 176.300 -0.578 0.000 1.118 372 D CA -0.073 53.722 54.000 -0.341 0.000 0.844 372 D CB 1.180 41.904 40.800 -0.126 0.000 1.059 372 D HN 0.623 nan 8.370 nan 0.000 0.493 373 E N 1.911 121.774 120.200 -0.562 0.000 2.130 373 E HA -0.220 4.130 4.350 0.000 0.000 0.196 373 E C 1.273 177.759 176.600 -0.190 0.000 0.998 373 E CA 1.440 57.609 56.400 -0.386 0.000 0.806 373 E CB -0.280 29.310 29.700 -0.184 0.000 0.738 373 E HN 0.641 nan 8.360 nan 0.000 0.459 374 H N -0.089 118.913 119.070 -0.114 0.000 2.543 374 H HA 0.040 4.596 4.556 0.000 0.000 0.286 374 H C 0.348 175.617 175.328 -0.098 0.000 1.037 374 H CA 1.011 57.005 56.048 -0.091 0.000 1.250 374 H CB 0.183 29.887 29.762 -0.098 0.000 1.373 374 H HN -0.030 nan 8.280 nan 0.000 0.580 375 K N -0.536 119.831 120.400 -0.055 0.000 3.012 375 K HA 0.338 4.658 4.320 0.000 0.000 0.207 375 K C 0.862 177.389 176.600 -0.123 0.000 1.130 375 K CA 0.163 56.412 56.287 -0.062 0.000 1.021 375 K CB 1.304 33.779 32.500 -0.041 0.000 0.736 375 K HN 0.117 nan 8.250 nan 0.000 0.448 376 A N 0.727 123.443 122.820 -0.174 0.000 1.848 376 A HA -0.186 4.134 4.320 0.000 0.000 0.217 376 A C 2.044 179.667 177.584 0.066 0.000 1.220 376 A CA 2.012 53.992 52.037 -0.095 0.000 0.645 376 A CB -0.791 18.165 19.000 -0.073 0.000 0.842 376 A HN 0.111 nan 8.150 nan 0.000 0.451 377 V N 0.243 120.155 119.914 -0.004 0.000 2.370 377 V HA -0.338 3.782 4.120 0.000 0.000 0.252 377 V C 2.429 178.538 176.094 0.026 0.000 1.068 377 V CA 2.546 64.853 62.300 0.011 0.000 1.061 377 V CB -1.102 30.710 31.823 -0.019 0.000 0.656 377 V HN 0.653 nan 8.190 nan 0.000 0.455 378 E N -0.218 119.991 120.200 0.015 0.000 2.077 378 E HA -0.176 4.174 4.350 0.000 0.000 0.193 378 E C 2.332 178.953 176.600 0.035 0.000 0.989 378 E CA 1.786 58.197 56.400 0.017 0.000 0.800 378 E CB -0.283 29.421 29.700 0.006 0.000 0.746 378 E HN 0.600 nan 8.360 nan 0.000 0.452 379 T N 0.819 115.407 114.554 0.056 0.000 2.857 379 T HA -0.084 4.266 4.350 0.000 0.000 0.266 379 T C 1.971 176.745 174.700 0.123 0.000 1.048 379 T CA 0.967 63.127 62.100 0.100 0.000 1.139 379 T CB -0.171 68.793 68.868 0.161 0.000 0.874 379 T HN 0.228 nan 8.240 nan 0.000 0.455 380 A N 2.131 125.038 122.820 0.146 0.000 1.883 380 A HA -0.189 4.131 4.320 0.000 0.000 0.217 380 A C 2.249 179.856 177.584 0.038 0.000 1.186 380 A CA 1.774 53.864 52.037 0.088 0.000 0.624 380 A CB -0.502 18.545 19.000 0.078 0.000 0.822 380 A HN 0.462 nan 8.150 nan 0.000 0.444 381 K N -0.965 119.455 120.400 0.033 0.000 2.063 381 K HA -0.118 4.202 4.320 0.000 0.000 0.208 381 K C 2.148 178.759 176.600 0.018 0.000 1.048 381 K CA 1.810 58.107 56.287 0.017 0.000 0.928 381 K CB -0.488 32.020 32.500 0.014 0.000 0.713 381 K HN 0.517 nan 8.250 nan 0.000 0.442 382 T N 1.787 116.356 114.554 0.025 0.000 2.652 382 T HA -0.138 4.212 4.350 0.000 0.000 0.267 382 T C 1.935 176.646 174.700 0.018 0.000 1.039 382 T CA 1.382 63.496 62.100 0.023 0.000 1.153 382 T CB -0.259 68.625 68.868 0.026 0.000 0.863 382 T HN 0.140 nan 8.240 nan 0.000 0.428 383 I N 0.650 121.231 120.570 0.017 0.000 2.127 383 I HA -0.147 4.023 4.170 0.000 0.000 0.241 383 I C 2.327 178.443 176.117 -0.002 0.000 1.075 383 I CA 1.443 62.744 61.300 0.003 0.000 1.334 383 I CB -0.491 37.504 38.000 -0.009 0.000 1.040 383 I HN 0.205 nan 8.210 nan 0.000 0.405 384 I N 0.203 120.771 120.570 -0.005 0.000 2.361 384 I HA -0.272 3.898 4.170 0.000 0.000 0.251 384 I C 2.691 178.809 176.117 0.002 0.000 1.133 384 I CA 1.104 62.398 61.300 -0.010 0.000 1.413 384 I CB -0.354 37.636 38.000 -0.017 0.000 1.073 384 I HN 0.165 nan 8.210 nan 0.000 0.424 385 R N 0.628 121.133 120.500 0.009 0.000 2.081 385 R HA -0.078 4.263 4.340 0.000 0.000 0.235 385 R C 2.243 178.561 176.300 0.030 0.000 1.131 385 R CA 1.533 57.644 56.100 0.018 0.000 0.960 385 R CB -0.527 29.784 30.300 0.019 0.000 0.856 385 R HN 0.284 nan 8.270 nan 0.000 0.436 386 M N -0.660 118.956 119.600 0.027 0.000 2.202 386 M HA -0.176 4.304 4.480 0.000 0.000 0.262 386 M C 2.117 178.446 176.300 0.048 0.000 1.063 386 M CA 1.916 57.236 55.300 0.034 0.000 1.097 386 M CB -0.261 32.352 32.600 0.022 0.000 1.382 386 M HN 0.248 nan 8.290 nan 0.000 0.413 387 A N 0.539 123.383 122.820 0.041 0.000 1.874 387 A HA -0.040 4.280 4.320 0.000 0.000 0.214 387 A C 1.978 179.627 177.584 0.108 0.000 1.189 387 A CA 1.035 53.108 52.037 0.060 0.000 0.615 387 A CB -0.743 18.272 19.000 0.026 0.000 0.830 387 A HN 0.449 nan 8.150 nan 0.000 0.443 388 I N 0.027 120.639 120.570 0.070 0.000 2.657 388 I HA -0.273 3.897 4.170 0.000 0.000 0.261 388 I C 2.655 178.869 176.117 0.162 0.000 1.212 388 I CA 0.841 62.189 61.300 0.081 0.000 1.453 388 I CB -0.261 37.752 38.000 0.022 0.000 1.092 388 I HN 0.388 nan 8.210 nan 0.000 0.452 389 A N 0.781 123.680 122.820 0.131 0.000 1.862 389 A HA 0.126 4.446 4.320 0.000 0.000 0.211 389 A C 2.553 180.229 177.584 0.153 0.000 1.220 389 A CA 0.992 53.103 52.037 0.124 0.000 0.616 389 A CB -0.818 18.232 19.000 0.082 0.000 0.878 389 A HN 0.333 nan 8.150 nan 0.000 0.453 390 A N -1.141 121.774 122.820 0.158 0.000 2.084 390 A HA -0.098 4.223 4.320 0.000 0.000 0.221 390 A C 1.906 179.661 177.584 0.285 0.000 1.161 390 A CA 1.627 53.783 52.037 0.199 0.000 0.653 390 A CB -0.796 18.301 19.000 0.161 0.000 0.802 390 A HN 0.685 nan 8.150 nan 0.000 0.457 391 F N 1.079 121.103 119.950 0.123 0.000 2.075 391 F HA -0.031 4.496 4.527 0.000 0.000 0.297 391 F C 2.165 177.990 175.800 0.041 0.000 1.113 391 F CA 1.655 59.713 58.000 0.097 0.000 1.218 391 F CB -0.762 38.272 39.000 0.058 0.000 0.984 391 F HN 0.185 nan 8.300 nan 0.000 0.472 392 G N -0.553 108.228 108.800 -0.032 0.000 2.776 392 G HA2 -0.166 3.794 3.960 0.000 0.000 0.209 392 G HA3 -0.166 3.794 3.960 0.000 0.000 0.209 392 G C 1.590 176.407 174.900 -0.138 0.000 1.145 392 G CA 0.246 45.257 45.100 -0.148 0.000 0.791 392 G HN 0.387 nan 8.290 nan 0.000 0.530 393 R N -0.318 120.122 120.500 -0.099 0.000 2.437 393 R HA 0.216 4.557 4.340 0.000 0.000 0.257 393 R C 1.100 177.285 176.300 -0.191 0.000 0.927 393 R CA -0.609 55.453 56.100 -0.064 0.000 1.078 393 R CB 0.132 30.464 30.300 0.053 0.000 1.161 393 R HN 0.238 nan 8.270 nan 0.000 0.529 394 R N 0.902 121.153 120.500 -0.416 0.000 2.491 394 R HA -0.011 4.329 4.340 0.000 0.000 0.283 394 R C -0.751 175.271 176.300 -0.464 0.000 1.072 394 R CA -0.103 55.501 56.100 -0.827 0.000 1.048 394 R CB 0.592 30.449 30.300 -0.737 0.000 0.983 394 R HN -0.088 nan 8.270 nan 0.000 0.450 395 D N 5.765 125.940 120.400 -0.375 0.000 2.338 395 D HA 0.065 4.706 4.640 0.000 0.000 0.255 395 D C -1.471 174.741 176.300 -0.148 0.000 1.237 395 D CA -2.064 51.824 54.000 -0.186 0.000 0.883 395 D CB 1.518 42.249 40.800 -0.114 0.000 1.087 395 D HN 0.488 nan 8.370 nan 0.000 0.485 396 P HA -0.074 nan 4.420 nan 0.000 0.223 396 P C 0.400 177.670 177.300 -0.049 0.000 1.151 396 P CA 0.592 63.636 63.100 -0.094 0.000 0.787 396 P CB 0.542 32.186 31.700 -0.093 0.000 0.788 397 N N -0.186 118.485 118.700 -0.048 0.000 2.270 397 N HA 0.083 4.823 4.740 0.000 0.000 0.198 397 N C 1.371 176.871 175.510 -0.016 0.000 1.117 397 N CA 0.167 53.200 53.050 -0.028 0.000 0.845 397 N CB 0.252 38.719 38.487 -0.033 0.000 0.980 397 N HN 0.304 nan 8.380 nan 0.000 0.486 398 R N -0.057 120.438 120.500 -0.009 0.000 2.446 398 R HA 0.228 4.568 4.340 0.000 0.000 0.254 398 R C 0.229 176.582 176.300 0.088 0.000 0.918 398 R CA -0.125 55.989 56.100 0.023 0.000 1.069 398 R CB 0.876 31.172 30.300 -0.008 0.000 1.194 398 R HN -0.100 nan 8.270 nan 0.000 0.534 399 V N 1.611 121.565 119.914 0.066 0.000 3.032 399 V HA 0.211 4.331 4.120 0.000 0.000 0.307 399 V C 0.378 176.521 176.094 0.083 0.000 1.097 399 V CA 0.408 62.759 62.300 0.086 0.000 1.191 399 V CB 1.238 33.093 31.823 0.053 0.000 0.964 399 V HN 0.357 nan 8.190 nan 0.000 0.494 400 A N 5.702 128.577 122.820 0.091 0.000 2.480 400 A HA 0.541 4.861 4.320 0.000 0.000 0.302 400 A C -1.008 176.624 177.584 0.081 0.000 1.151 400 A CA -0.500 51.586 52.037 0.081 0.000 0.907 400 A CB 0.174 19.225 19.000 0.086 0.000 1.487 400 A HN 0.629 nan 8.150 nan 0.000 0.396 401 I N 2.925 123.543 120.570 0.080 0.000 2.359 401 I HA 0.328 4.498 4.170 0.000 0.000 0.284 401 I C -2.134 174.051 176.117 0.112 0.000 1.018 401 I CA -1.949 59.402 61.300 0.084 0.000 1.173 401 I CB 1.503 39.548 38.000 0.076 0.000 1.326 401 I HN 0.349 nan 8.210 nan 0.000 0.462 402 P HA -0.017 nan 4.420 nan 0.000 0.266 402 P C 0.622 178.084 177.300 0.270 0.000 1.186 402 P CA 0.062 63.339 63.100 0.296 0.000 0.767 402 P CB 0.889 32.795 31.700 0.343 0.000 0.820 403 A N 2.732 125.660 122.820 0.180 0.000 1.968 403 A HA -0.038 4.282 4.320 0.000 0.000 0.217 403 A C 0.673 178.273 177.584 0.026 0.000 1.169 403 A CA 0.279 52.324 52.037 0.013 0.000 0.638 403 A CB -1.179 17.742 19.000 -0.133 0.000 0.812 403 A HN 0.588 nan 8.150 nan 0.000 0.446 404 F N 0.600 120.559 119.950 0.016 0.000 2.374 404 F HA -0.033 4.494 4.527 0.000 0.000 0.405 404 F C 0.964 176.777 175.800 0.022 0.000 0.976 404 F CA 1.062 59.074 58.000 0.018 0.000 1.037 404 F CB -0.007 39.002 39.000 0.015 0.000 0.888 404 F HN 0.171 nan 8.300 nan 0.000 0.519 405 K N 3.476 123.961 120.400 0.141 0.000 2.992 405 K HA 0.144 4.465 4.320 0.000 0.000 0.178 405 K C -0.648 176.005 176.600 0.089 0.000 1.122 405 K CA -0.780 55.571 56.287 0.106 0.000 0.926 405 K CB 0.494 33.036 32.500 0.070 0.000 1.121 405 K HN 0.483 nan 8.250 nan 0.000 0.610 406 Q N 2.694 122.559 119.800 0.109 0.000 2.311 406 Q HA 0.085 4.425 4.340 0.000 0.000 0.272 406 Q C -0.945 175.107 176.000 0.087 0.000 1.012 406 Q CA 0.542 56.403 55.803 0.096 0.000 0.891 406 Q CB 0.769 29.572 28.738 0.109 0.000 1.201 406 Q HN 0.182 nan 8.270 nan 0.000 0.391 407 K N 1.439 121.886 120.400 0.077 0.000 2.185 407 K HA 0.534 4.855 4.320 0.000 0.000 0.271 407 K C -0.895 175.760 176.600 0.091 0.000 1.013 407 K CA -0.071 56.262 56.287 0.077 0.000 0.943 407 K CB 1.216 33.756 32.500 0.065 0.000 0.998 407 K HN 0.668 nan 8.250 nan 0.000 0.468 408 S N 1.322 117.083 115.700 0.102 0.000 2.536 408 S HA 0.532 5.002 4.470 0.000 0.000 0.271 408 S C -0.757 173.927 174.600 0.140 0.000 1.134 408 S CA -0.799 57.476 58.200 0.124 0.000 0.897 408 S CB 0.999 64.289 63.200 0.150 0.000 1.094 408 S HN 0.387 nan 8.310 nan 0.000 0.473 409 I N 3.083 123.751 120.570 0.164 0.000 2.330 409 I HA 0.454 4.624 4.170 0.000 0.000 0.286 409 I C -0.055 176.270 176.117 0.346 0.000 1.025 409 I CA -0.584 60.851 61.300 0.224 0.000 1.197 409 I CB 0.866 39.006 38.000 0.234 0.000 1.358 409 I HN 0.522 nan 8.210 nan 0.000 0.467 410 V N 2.008 122.108 119.914 0.310 0.000 3.182 410 V HA 0.972 5.092 4.120 0.000 0.000 0.311 410 V C 0.620 176.836 176.094 0.204 0.000 1.221 410 V CA -0.308 62.199 62.300 0.346 0.000 1.060 410 V CB 1.298 33.215 31.823 0.157 0.000 1.164 410 V HN 0.887 nan 8.190 nan 0.000 0.466 411 G N -0.366 108.504 108.800 0.117 0.000 2.167 411 G HA2 -0.168 3.792 3.960 0.000 0.000 0.194 411 G HA3 -0.168 3.792 3.960 0.000 0.000 0.194 411 G C -0.601 174.200 174.900 -0.165 0.000 1.027 411 G CA 0.067 45.129 45.100 -0.065 0.000 0.717 411 G HN 0.952 nan 8.290 nan 0.000 0.501 412 F N 3.126 123.086 119.950 0.017 0.000 2.509 412 F HA 0.463 4.990 4.527 0.000 0.000 0.344 412 F C 1.453 177.274 175.800 0.035 0.000 1.197 412 F CA -0.326 57.695 58.000 0.034 0.000 1.294 412 F CB 0.190 39.221 39.000 0.052 0.000 1.643 412 F HN 0.313 nan 8.300 nan 0.000 0.596 413 S N 0.263 116.007 115.700 0.072 0.000 2.589 413 S HA 0.408 4.879 4.470 0.000 0.000 0.265 413 S C 1.530 176.178 174.600 0.081 0.000 1.342 413 S CA -0.322 57.920 58.200 0.069 0.000 1.005 413 S CB 1.292 64.508 63.200 0.026 0.000 0.909 413 S HN 0.525 nan 8.310 nan 0.000 0.555 414 A N 0.785 123.648 122.820 0.072 0.000 1.978 414 A HA -0.088 4.232 4.320 0.000 0.000 0.220 414 A C 2.007 179.621 177.584 0.051 0.000 1.170 414 A CA 1.831 53.907 52.037 0.066 0.000 0.636 414 A CB -1.093 17.939 19.000 0.053 0.000 0.810 414 A HN 0.890 nan 8.150 nan 0.000 0.448 415 E N 0.098 120.319 120.200 0.036 0.000 2.017 415 E HA -0.032 4.318 4.350 0.000 0.000 0.193 415 E C 2.354 178.959 176.600 0.009 0.000 0.997 415 E CA 1.440 57.853 56.400 0.021 0.000 0.804 415 E CB -0.650 29.058 29.700 0.012 0.000 0.757 415 E HN 0.531 nan 8.360 nan 0.000 0.448 416 A N 0.652 123.463 122.820 -0.014 0.000 1.927 416 A HA -0.257 4.064 4.320 0.000 0.000 0.220 416 A C 2.526 180.111 177.584 0.001 0.000 1.185 416 A CA 1.992 53.994 52.037 -0.060 0.000 0.639 416 A CB -1.049 17.849 19.000 -0.170 0.000 0.820 416 A HN 0.161 nan 8.150 nan 0.000 0.451 417 V N -0.611 119.348 119.914 0.075 0.000 2.343 417 V HA -0.223 3.897 4.120 0.000 0.000 0.247 417 V C 2.535 178.674 176.094 0.075 0.000 1.051 417 V CA 2.014 64.390 62.300 0.127 0.000 1.036 417 V CB -0.627 31.282 31.823 0.142 0.000 0.654 417 V HN 0.400 nan 8.190 nan 0.000 0.451 418 V N 0.149 120.093 119.914 0.050 0.000 2.667 418 V HA -0.149 3.971 4.120 0.000 0.000 0.252 418 V C 2.602 178.711 176.094 0.025 0.000 1.065 418 V CA 1.570 63.891 62.300 0.035 0.000 1.083 418 V CB -0.941 30.898 31.823 0.027 0.000 0.692 418 V HN 0.542 nan 8.190 nan 0.000 0.468 419 A N 0.218 123.048 122.820 0.017 0.000 1.898 419 A HA -0.050 4.270 4.320 0.000 0.000 0.216 419 A C 2.422 180.013 177.584 0.010 0.000 1.181 419 A CA 1.888 53.927 52.037 0.004 0.000 0.620 419 A CB -0.626 18.365 19.000 -0.014 0.000 0.819 419 A HN 0.532 nan 8.150 nan 0.000 0.442 420 A N -0.175 122.659 122.820 0.024 0.000 1.898 420 A HA 0.014 4.334 4.320 0.000 0.000 0.216 420 A C 2.052 179.658 177.584 0.038 0.000 1.181 420 A CA 1.341 53.400 52.037 0.038 0.000 0.620 420 A CB -0.622 18.424 19.000 0.077 0.000 0.819 420 A HN 0.452 nan 8.150 nan 0.000 0.442 421 L N -0.609 120.639 121.223 0.041 0.000 2.353 421 L HA -0.176 4.164 4.340 0.000 0.000 0.220 421 L C 2.883 179.766 176.870 0.023 0.000 1.133 421 L CA 0.620 55.480 54.840 0.033 0.000 0.798 421 L CB -0.455 41.624 42.059 0.033 0.000 0.922 421 L HN 0.473 nan 8.230 nan 0.000 0.445 422 A N -0.155 122.676 122.820 0.019 0.000 1.897 422 A HA -0.145 4.175 4.320 0.000 0.000 0.215 422 A C 1.930 179.520 177.584 0.011 0.000 1.181 422 A CA 1.057 53.102 52.037 0.012 0.000 0.620 422 A CB -0.198 18.807 19.000 0.008 0.000 0.821 422 A HN 0.120 nan 8.150 nan 0.000 0.443 423 K N -0.647 119.761 120.400 0.013 0.000 2.699 423 K HA 0.166 4.486 4.320 0.000 0.000 0.205 423 K C 0.636 177.245 176.600 0.015 0.000 1.008 423 K CA 0.631 56.925 56.287 0.013 0.000 1.100 423 K CB 0.003 32.511 32.500 0.014 0.000 0.878 423 K HN 0.278 nan 8.250 nan 0.000 0.496 424 V N -1.281 118.641 119.914 0.015 0.000 3.400 424 V HA 0.245 4.365 4.120 0.000 0.000 0.281 424 V C -1.135 174.967 176.094 0.012 0.000 1.617 424 V CA -0.138 62.171 62.300 0.015 0.000 1.044 424 V CB -0.016 31.818 31.823 0.019 0.000 0.858 424 V HN 0.504 nan 8.190 nan 0.000 0.425 425 N N -0.320 118.387 118.700 0.011 0.000 4.193 425 N HA 0.218 4.958 4.740 0.000 0.000 0.161 425 N C 0.450 175.964 175.510 0.008 0.000 1.406 425 N CA 0.608 53.663 53.050 0.009 0.000 0.884 425 N CB 0.635 39.127 38.487 0.009 0.000 1.738 425 N HN 0.147 nan 8.380 nan 0.000 0.780 426 A N 1.409 124.233 122.820 0.006 0.000 2.121 426 A HA -0.111 4.209 4.320 0.000 0.000 0.218 426 A C 1.453 179.039 177.584 0.003 0.000 1.154 426 A CA 1.309 53.348 52.037 0.004 0.000 0.679 426 A CB -0.073 18.929 19.000 0.002 0.000 0.795 426 A HN 0.728 nan 8.150 nan 0.000 0.458 427 D N 0.118 120.520 120.400 0.003 0.000 2.149 427 D HA -0.020 4.620 4.640 0.000 0.000 0.206 427 D C -0.252 176.050 176.300 0.004 0.000 0.967 427 D CA 0.830 54.831 54.000 0.003 0.000 0.848 427 D CB -0.021 40.780 40.800 0.002 0.000 0.998 427 D HN 0.373 nan 8.370 nan 0.000 0.474 428 D N 0.417 120.820 120.400 0.005 0.000 2.400 428 D HA 0.166 4.806 4.640 0.000 0.000 0.272 428 D C -1.936 174.369 176.300 0.009 0.000 1.220 428 D CA -1.348 52.656 54.000 0.006 0.000 0.897 428 D CB 2.351 43.154 40.800 0.005 0.000 1.134 428 D HN -0.122 nan 8.370 nan 0.000 0.507 429 P HA -0.123 nan 4.420 nan 0.000 0.218 429 P C 1.524 178.833 177.300 0.015 0.000 1.148 429 P CA 0.526 63.634 63.100 0.014 0.000 0.822 429 P CB 0.508 32.217 31.700 0.015 0.000 0.784 430 L N -0.846 120.385 121.223 0.013 0.000 2.313 430 L HA -0.062 4.278 4.340 0.000 0.000 0.214 430 L C 2.286 179.162 176.870 0.011 0.000 1.119 430 L CA 1.488 56.336 54.840 0.013 0.000 0.809 430 L CB -1.359 40.706 42.059 0.011 0.000 0.933 430 L HN -0.112 nan 8.230 nan 0.000 0.449 431 K N 1.215 121.620 120.400 0.009 0.000 1.988 431 K HA -0.184 4.136 4.320 0.000 0.000 0.221 431 K C -0.641 175.964 176.600 0.009 0.000 1.053 431 K CA 2.293 58.585 56.287 0.008 0.000 0.959 431 K CB -1.585 30.919 32.500 0.007 0.000 0.728 431 K HN 0.177 nan 8.250 nan 0.000 0.447 432 P HA -0.223 nan 4.420 nan 0.000 0.216 432 P C 1.658 178.965 177.300 0.012 0.000 1.153 432 P CA 1.336 64.443 63.100 0.012 0.000 0.858 432 P CB -0.213 31.496 31.700 0.014 0.000 0.789 433 L N 0.016 121.247 121.223 0.014 0.000 2.046 433 L HA -0.093 4.247 4.340 0.000 0.000 0.208 433 L C 2.377 179.252 176.870 0.009 0.000 1.077 433 L CA 1.791 56.639 54.840 0.013 0.000 0.747 433 L CB -1.137 40.931 42.059 0.016 0.000 0.896 433 L HN -0.129 nan 8.230 nan 0.000 0.432 434 V N 0.671 120.589 119.914 0.007 0.000 2.261 434 V HA -0.290 3.830 4.120 0.000 0.000 0.246 434 V C 2.438 178.534 176.094 0.004 0.000 1.047 434 V CA 2.010 64.313 62.300 0.004 0.000 1.015 434 V CB -0.636 31.190 31.823 0.004 0.000 0.642 434 V HN 0.436 nan 8.190 nan 0.000 0.446 435 D N 0.467 120.870 120.400 0.005 0.000 2.156 435 D HA -0.207 4.433 4.640 0.000 0.000 0.190 435 D C 1.986 178.290 176.300 0.005 0.000 0.998 435 D CA 1.638 55.641 54.000 0.005 0.000 0.842 435 D CB -0.668 40.136 40.800 0.006 0.000 0.974 435 D HN 0.377 nan 8.370 nan 0.000 0.447 436 N N 0.502 119.207 118.700 0.007 0.000 2.247 436 N HA -0.132 4.609 4.740 0.000 0.000 0.189 436 N C 1.920 177.434 175.510 0.007 0.000 1.009 436 N CA 0.561 53.617 53.050 0.009 0.000 0.872 436 N CB -0.119 38.375 38.487 0.011 0.000 0.980 436 N HN 0.108 nan 8.380 nan 0.000 0.436 437 V N 0.411 120.327 119.914 0.004 0.000 2.719 437 V HA -0.073 4.047 4.120 0.000 0.000 0.252 437 V C 2.301 178.393 176.094 -0.003 0.000 1.065 437 V CA 0.718 63.018 62.300 -0.000 0.000 1.086 437 V CB -0.000 31.820 31.823 -0.004 0.000 0.700 437 V HN 0.039 nan 8.190 nan 0.000 0.467 438 V N 2.024 121.938 119.914 -0.001 0.000 2.488 438 V HA -0.169 3.951 4.120 0.000 0.000 0.246 438 V C 2.265 178.359 176.094 0.001 0.000 1.046 438 V CA 2.108 64.407 62.300 -0.002 0.000 1.053 438 V CB -0.918 30.904 31.823 -0.001 0.000 0.679 438 V HN 0.865 nan 8.190 nan 0.000 0.458 439 N N 0.629 119.332 118.700 0.004 0.000 2.300 439 N HA 0.163 4.903 4.740 0.000 0.000 0.179 439 N C 1.376 176.891 175.510 0.009 0.000 1.016 439 N CA 1.630 54.684 53.050 0.006 0.000 0.876 439 N CB 0.088 38.580 38.487 0.008 0.000 0.979 439 N HN 0.416 nan 8.380 nan 0.000 0.432 440 G N -0.982 107.824 108.800 0.011 0.000 2.367 440 G HA2 -0.231 3.729 3.960 0.000 0.000 0.181 440 G HA3 -0.231 3.729 3.960 0.000 0.000 0.181 440 G C 0.794 175.710 174.900 0.026 0.000 1.000 440 G CA 0.132 45.242 45.100 0.018 0.000 0.693 440 G HN 0.223 nan 8.290 nan 0.000 0.480 441 N N 0.311 119.024 118.700 0.021 0.000 2.094 441 N HA -0.060 4.680 4.740 0.000 0.000 0.191 441 N C 0.851 176.378 175.510 0.028 0.000 1.023 441 N CA 1.290 54.353 53.050 0.023 0.000 0.857 441 N CB 0.124 38.621 38.487 0.017 0.000 1.013 441 N HN 0.497 nan 8.380 nan 0.000 0.426 442 I N 1.755 122.339 120.570 0.023 0.000 2.405 442 I HA 0.087 4.257 4.170 0.000 0.000 0.280 442 I C 0.961 177.091 176.117 0.021 0.000 1.027 442 I CA -0.401 60.913 61.300 0.023 0.000 1.161 442 I CB 1.806 39.813 38.000 0.012 0.000 1.300 442 I HN -0.129 nan 8.210 nan 0.000 0.463 443 Q N 3.857 123.683 119.800 0.043 0.000 2.084 443 Q HA 0.032 4.373 4.340 0.000 0.000 0.202 443 Q C 0.946 176.930 176.000 -0.026 0.000 0.978 443 Q CA 0.938 56.755 55.803 0.023 0.000 0.844 443 Q CB 0.298 29.105 28.738 0.114 0.000 0.898 443 Q HN 0.899 nan 8.270 nan 0.000 0.426 444 G N -1.188 107.608 108.800 -0.006 0.000 2.427 444 G HA2 0.490 4.451 3.960 0.000 0.000 0.306 444 G HA3 0.490 4.451 3.960 0.000 0.000 0.306 444 G C -1.634 173.252 174.900 -0.023 0.000 1.280 444 G CA -0.852 44.229 45.100 -0.032 0.000 0.837 444 G HN 0.037 nan 8.290 nan 0.000 0.482 445 I N 0.083 120.626 120.570 -0.045 0.000 2.533 445 I HA 0.560 4.730 4.170 0.000 0.000 0.290 445 I C -0.719 175.337 176.117 -0.101 0.000 1.056 445 I CA -1.183 60.083 61.300 -0.058 0.000 1.057 445 I CB 2.212 40.185 38.000 -0.045 0.000 1.240 445 I HN 0.355 nan 8.210 nan 0.000 0.423 446 V N 7.376 127.200 119.914 -0.150 0.000 2.417 446 V HA 0.469 4.589 4.120 0.000 0.000 0.291 446 V C -0.783 175.108 176.094 -0.339 0.000 1.024 446 V CA -0.531 61.594 62.300 -0.292 0.000 0.861 446 V CB 2.000 33.565 31.823 -0.430 0.000 0.985 446 V HN 0.538 nan 8.190 nan 0.000 0.436 447 L N 7.447 128.485 121.223 -0.308 0.000 2.276 447 L HA 0.555 4.895 4.340 0.000 0.000 0.286 447 L C -1.180 175.560 176.870 -0.217 0.000 1.024 447 L CA -0.329 54.399 54.840 -0.186 0.000 0.826 447 L CB 1.076 43.088 42.059 -0.078 0.000 1.211 447 L HN 0.618 nan 8.230 nan 0.000 0.422 448 F N 5.237 125.216 119.950 0.048 0.000 2.411 448 F HA 0.412 4.939 4.527 0.000 0.000 0.355 448 F C 0.459 176.252 175.800 -0.011 0.000 1.117 448 F CA -0.482 57.561 58.000 0.072 0.000 1.139 448 F CB 1.593 40.709 39.000 0.195 0.000 1.120 448 F HN 0.297 nan 8.300 nan 0.000 0.493 449 V N 1.122 121.139 119.914 0.172 0.000 3.102 449 V HA 1.088 5.208 4.120 0.000 0.000 0.312 449 V C -0.278 175.872 176.094 0.093 0.000 1.135 449 V CA -0.428 61.911 62.300 0.066 0.000 1.022 449 V CB 1.353 33.187 31.823 0.019 0.000 1.056 449 V HN 1.109 nan 8.190 nan 0.000 0.436 450 G N -0.026 108.812 108.800 0.063 0.000 2.353 450 G HA2 0.263 4.223 3.960 0.000 0.000 0.424 450 G HA3 0.263 4.223 3.960 0.000 0.000 0.424 450 G C -0.553 174.421 174.900 0.124 0.000 1.320 450 G CA -0.081 45.089 45.100 0.115 0.000 0.995 450 G HN 1.519 nan 8.290 nan 0.000 0.580 451 C N -0.957 118.411 119.300 0.113 0.000 2.522 451 C HA 0.871 5.331 4.460 0.000 0.000 0.301 451 C C 0.134 175.200 174.990 0.127 0.000 2.987 451 C CA -0.827 58.230 59.018 0.064 0.000 1.903 451 C CB 0.815 28.495 27.740 -0.101 0.000 2.744 451 C HN 0.765 nan 8.230 nan 0.000 0.376 452 N N 0.594 119.335 118.700 0.068 0.000 2.577 452 N HA 0.327 5.067 4.740 0.000 0.000 0.275 452 N C -1.046 174.475 175.510 0.019 0.000 1.091 452 N CA 0.149 53.238 53.050 0.066 0.000 0.843 452 N CB 1.604 40.182 38.487 0.153 0.000 1.295 452 N HN 0.657 nan 8.380 nan 0.000 0.530 453 T N -0.423 114.083 114.554 -0.079 0.000 2.922 453 T HA 0.282 4.632 4.350 0.000 0.000 0.285 453 T C 1.424 176.009 174.700 -0.192 0.000 1.005 453 T CA -0.211 61.818 62.100 -0.118 0.000 1.061 453 T CB 0.648 69.441 68.868 -0.125 0.000 1.007 453 T HN 0.525 nan 8.240 nan 0.000 0.502 454 T N 1.235 115.596 114.554 -0.321 0.000 3.067 454 T HA 0.128 4.478 4.350 0.000 0.000 0.261 454 T C 1.357 175.691 174.700 -0.611 0.000 1.110 454 T CA 0.428 62.195 62.100 -0.555 0.000 1.113 454 T CB -0.104 68.196 68.868 -0.947 0.000 0.917 454 T HN 0.654 nan 8.240 nan 0.000 0.499 455 K N 0.976 121.142 120.400 -0.389 0.000 2.551 455 K HA 0.295 4.615 4.320 0.000 0.000 0.192 455 K C -0.381 176.156 176.600 -0.106 0.000 1.027 455 K CA 0.023 56.199 56.287 -0.185 0.000 1.059 455 K CB 0.134 32.594 32.500 -0.067 0.000 0.831 455 K HN 0.255 nan 8.250 nan 0.000 0.508 456 V N 0.967 120.803 119.914 -0.130 0.000 2.932 456 V HA 0.055 4.175 4.120 0.000 0.000 0.307 456 V C -0.759 175.296 176.094 -0.065 0.000 1.147 456 V CA -1.167 61.079 62.300 -0.091 0.000 0.951 456 V CB 2.169 33.915 31.823 -0.128 0.000 1.031 456 V HN 0.106 nan 8.190 nan 0.000 0.426 457 Q N 3.218 122.997 119.800 -0.035 0.000 2.247 457 Q HA 0.034 4.374 4.340 0.000 0.000 0.288 457 Q C 0.971 176.970 176.000 -0.001 0.000 1.079 457 Q CA 0.099 55.904 55.803 0.004 0.000 0.932 457 Q CB 0.447 29.178 28.738 -0.012 0.000 1.133 457 Q HN 0.617 nan 8.270 nan 0.000 0.377 458 Q N 1.959 121.819 119.800 0.100 0.000 2.473 458 Q HA -0.334 4.006 4.340 0.000 0.000 0.238 458 Q C -0.002 176.003 176.000 0.007 0.000 1.088 458 Q CA 2.228 58.101 55.803 0.117 0.000 0.989 458 Q CB -0.167 28.664 28.738 0.155 0.000 0.972 458 Q HN 0.752 nan 8.270 nan 0.000 0.543 459 D N -0.880 119.515 120.400 -0.008 0.000 2.696 459 D HA 0.154 4.794 4.640 0.000 0.000 0.269 459 D C 0.856 177.116 176.300 -0.067 0.000 1.319 459 D CA 0.193 54.178 54.000 -0.024 0.000 0.826 459 D CB 0.376 41.188 40.800 0.021 0.000 1.086 459 D HN 0.152 nan 8.370 nan 0.000 0.481 460 S N 1.012 116.654 115.700 -0.097 0.000 2.349 460 S HA -0.170 4.300 4.470 0.000 0.000 0.216 460 S C 2.161 176.709 174.600 -0.088 0.000 1.033 460 S CA 1.620 59.775 58.200 -0.075 0.000 1.021 460 S CB 0.095 63.256 63.200 -0.064 0.000 0.968 460 S HN 0.295 nan 8.310 nan 0.000 0.426 461 A N 0.326 123.054 122.820 -0.152 0.000 1.892 461 A HA -0.102 4.218 4.320 0.000 0.000 0.218 461 A C 1.975 179.519 177.584 -0.066 0.000 1.188 461 A CA 1.913 53.881 52.037 -0.114 0.000 0.631 461 A CB -1.446 17.460 19.000 -0.156 0.000 0.822 461 A HN 0.793 nan 8.150 nan 0.000 0.447 462 Y N -0.378 119.820 120.300 -0.169 0.000 2.040 462 Y HA -0.297 4.253 4.550 0.000 0.000 0.275 462 Y C 2.660 178.485 175.900 -0.126 0.000 1.171 462 Y CA 1.226 59.115 58.100 -0.351 0.000 1.123 462 Y CB -0.480 37.578 38.460 -0.669 0.000 0.963 462 Y HN 0.154 nan 8.280 nan 0.000 0.493 463 V N 0.185 120.161 119.914 0.103 0.000 2.295 463 V HA -0.296 3.824 4.120 0.000 0.000 0.246 463 V C 1.661 177.767 176.094 0.019 0.000 1.049 463 V CA 2.105 64.466 62.300 0.102 0.000 1.024 463 V CB -0.539 31.305 31.823 0.035 0.000 0.648 463 V HN 0.460 nan 8.190 nan 0.000 0.447 464 D N -0.295 120.111 120.400 0.010 0.000 2.149 464 D HA -0.090 4.550 4.640 0.000 0.000 0.201 464 D C 2.122 178.440 176.300 0.030 0.000 0.972 464 D CA 0.961 54.963 54.000 0.003 0.000 0.835 464 D CB -0.037 40.767 40.800 0.006 0.000 0.966 464 D HN 0.337 nan 8.370 nan 0.000 0.476 465 L N 0.650 121.914 121.223 0.069 0.000 2.109 465 L HA -0.104 4.236 4.340 0.000 0.000 0.207 465 L C 2.396 179.400 176.870 0.225 0.000 1.086 465 L CA 0.842 55.778 54.840 0.160 0.000 0.760 465 L CB -0.121 42.096 42.059 0.263 0.000 0.910 465 L HN -0.051 nan 8.230 nan 0.000 0.437 466 A N 0.050 122.929 122.820 0.099 0.000 1.855 466 A HA -0.230 4.090 4.320 0.000 0.000 0.215 466 A C 2.252 179.834 177.584 -0.002 0.000 1.191 466 A CA 1.728 53.795 52.037 0.051 0.000 0.613 466 A CB -0.375 18.461 19.000 -0.273 0.000 0.829 466 A HN 0.310 nan 8.150 nan 0.000 0.442 467 K N -0.272 120.080 120.400 -0.080 0.000 2.063 467 K HA -0.134 4.186 4.320 0.000 0.000 0.208 467 K C 2.452 179.046 176.600 -0.011 0.000 1.048 467 K CA 1.370 57.596 56.287 -0.102 0.000 0.928 467 K CB -0.313 32.073 32.500 -0.191 0.000 0.713 467 K HN 0.447 nan 8.250 nan 0.000 0.442 468 S N 1.287 116.992 115.700 0.008 0.000 2.369 468 S HA -0.171 4.299 4.470 0.000 0.000 0.225 468 S C 1.905 176.496 174.600 -0.015 0.000 1.043 468 S CA 1.394 59.596 58.200 0.005 0.000 1.074 468 S CB -0.240 62.975 63.200 0.025 0.000 0.962 468 S HN 0.229 nan 8.310 nan 0.000 0.433 469 L N 0.792 122.038 121.223 0.037 0.000 2.179 469 L HA 0.118 4.458 4.340 0.000 0.000 0.208 469 L C 2.885 179.773 176.870 0.031 0.000 1.096 469 L CA 0.862 55.725 54.840 0.038 0.000 0.779 469 L CB -0.615 41.509 42.059 0.108 0.000 0.922 469 L HN 0.409 nan 8.230 nan 0.000 0.443 470 A N 0.165 123.004 122.820 0.032 0.000 2.019 470 A HA -0.231 4.089 4.320 0.000 0.000 0.219 470 A C 2.292 179.891 177.584 0.025 0.000 1.164 470 A CA 1.743 53.795 52.037 0.024 0.000 0.644 470 A CB -0.293 18.712 19.000 0.007 0.000 0.805 470 A HN 0.196 nan 8.150 nan 0.000 0.449 471 K N -0.130 120.276 120.400 0.010 0.000 2.062 471 K HA -0.005 4.315 4.320 0.000 0.000 0.205 471 K C 1.543 178.119 176.600 -0.039 0.000 1.051 471 K CA 1.020 57.308 56.287 0.000 0.000 0.941 471 K CB -0.167 32.329 32.500 -0.007 0.000 0.719 471 K HN 0.220 nan 8.250 nan 0.000 0.440 472 R N 1.555 121.989 120.500 -0.109 0.000 2.386 472 R HA 0.123 4.463 4.340 0.000 0.000 0.216 472 R C -0.482 175.856 176.300 0.064 0.000 1.119 472 R CA 0.293 56.281 56.100 -0.186 0.000 1.158 472 R CB -0.814 29.034 30.300 -0.753 0.000 1.057 472 R HN 0.302 nan 8.270 nan 0.000 0.489 473 N N -0.828 117.906 118.700 0.056 0.000 2.758 473 N HA -0.156 4.584 4.740 0.000 0.000 0.248 473 N C -1.328 174.242 175.510 0.101 0.000 1.076 473 N CA 0.866 53.963 53.050 0.079 0.000 0.696 473 N CB -1.271 37.268 38.487 0.087 0.000 0.979 473 N HN -0.017 nan 8.380 nan 0.000 0.550 474 V N 1.198 121.167 119.914 0.091 0.000 2.384 474 V HA 0.380 4.500 4.120 0.000 0.000 0.287 474 V C 0.828 176.936 176.094 0.023 0.000 1.020 474 V CA -0.840 61.505 62.300 0.075 0.000 0.850 474 V CB 2.111 34.002 31.823 0.112 0.000 0.987 474 V HN 0.277 nan 8.190 nan 0.000 0.436 475 L N 6.004 127.227 121.223 -0.000 0.000 2.416 475 L HA 0.456 4.796 4.340 0.000 0.000 0.272 475 L C -0.493 176.349 176.870 -0.047 0.000 1.161 475 L CA 0.152 54.977 54.840 -0.025 0.000 0.845 475 L CB 1.101 43.146 42.059 -0.024 0.000 1.119 475 L HN 0.483 nan 8.230 nan 0.000 0.464 476 V N 6.611 126.486 119.914 -0.065 0.000 2.384 476 V HA 0.414 4.534 4.120 0.000 0.000 0.287 476 V C 0.023 176.069 176.094 -0.081 0.000 1.020 476 V CA -0.504 61.756 62.300 -0.068 0.000 0.850 476 V CB 1.373 33.153 31.823 -0.072 0.000 0.987 476 V HN 0.589 nan 8.190 nan 0.000 0.436 477 L N 4.154 125.354 121.223 -0.040 0.000 2.346 477 L HA 0.986 5.326 4.340 0.000 0.000 0.274 477 L C -0.003 176.912 176.870 0.075 0.000 1.007 477 L CA -0.581 54.254 54.840 -0.008 0.000 0.818 477 L CB 2.018 44.075 42.059 -0.003 0.000 1.284 477 L HN 0.743 nan 8.230 nan 0.000 0.424 478 A N 1.198 124.067 122.820 0.081 0.000 2.549 478 A HA 0.880 5.200 4.320 0.000 0.000 0.297 478 A C -0.537 177.051 177.584 0.006 0.000 1.061 478 A CA -0.407 51.708 52.037 0.129 0.000 0.690 478 A CB 2.099 21.276 19.000 0.295 0.000 1.287 478 A HN 0.706 nan 8.150 nan 0.000 0.402 479 T N -1.557 112.975 114.554 -0.037 0.000 2.742 479 T HA 0.856 5.206 4.350 0.000 0.000 0.282 479 T C 0.948 175.518 174.700 -0.217 0.000 1.025 479 T CA 0.240 62.292 62.100 -0.081 0.000 1.020 479 T CB 0.809 69.697 68.868 0.035 0.000 1.317 479 T HN 2.614 nan 8.240 nan 0.000 0.538 480 G N -0.276 108.387 108.800 -0.228 0.000 2.602 480 G HA2 -0.305 3.655 3.960 0.000 0.000 0.306 480 G HA3 -0.305 3.655 3.960 0.000 0.000 0.306 480 G C 1.204 175.914 174.900 -0.317 0.000 1.301 480 G CA 0.389 45.359 45.100 -0.217 0.000 0.974 480 G HN 1.264 nan 8.290 nan 0.000 0.547 481 C N 1.084 120.358 119.300 -0.044 0.000 2.446 481 C HA 0.285 4.745 4.460 0.000 0.000 0.279 481 C C 3.477 178.332 174.990 -0.224 0.000 1.366 481 C CA 1.656 60.685 59.018 0.018 0.000 1.763 481 C CB -1.673 26.137 27.740 0.116 0.000 1.929 481 C HN 1.035 nan 8.230 nan 0.000 0.509 482 A N 1.073 123.623 122.820 -0.450 0.000 1.865 482 A HA -0.037 4.283 4.320 0.000 0.000 0.217 482 A C 2.408 179.394 177.584 -0.997 0.000 1.191 482 A CA 2.263 53.563 52.037 -1.229 0.000 0.623 482 A CB -1.103 17.316 19.000 -0.968 0.000 0.826 482 A HN 0.568 nan 8.150 nan 0.000 0.444 483 A N -0.693 121.788 122.820 -0.565 0.000 1.978 483 A HA 0.106 4.426 4.320 0.000 0.000 0.220 483 A C 2.371 179.712 177.584 -0.404 0.000 1.170 483 A CA 1.961 53.716 52.037 -0.469 0.000 0.636 483 A CB -1.335 17.193 19.000 -0.787 0.000 0.810 483 A HN 0.786 nan 8.150 nan 0.000 0.448 484 G N -0.487 108.145 108.800 -0.280 0.000 2.418 484 G HA2 0.019 3.979 3.960 0.000 0.000 0.217 484 G HA3 0.019 3.979 3.960 0.000 0.000 0.217 484 G C 1.735 176.596 174.900 -0.064 0.000 1.158 484 G CA 1.429 46.551 45.100 0.037 0.000 0.771 484 G HN 0.760 nan 8.290 nan 0.000 0.545 485 A N 1.008 123.686 122.820 -0.236 0.000 1.841 485 A HA 0.013 4.333 4.320 0.000 0.000 0.216 485 A C 2.190 179.667 177.584 -0.178 0.000 1.199 485 A CA 1.616 53.509 52.037 -0.240 0.000 0.621 485 A CB -0.882 17.884 19.000 -0.389 0.000 0.835 485 A HN 0.365 nan 8.150 nan 0.000 0.445 486 F N 0.288 120.147 119.950 -0.152 0.000 2.147 486 F HA -0.255 4.272 4.527 0.000 0.000 0.301 486 F C 2.822 178.583 175.800 -0.066 0.000 1.084 486 F CA 0.676 58.595 58.000 -0.136 0.000 1.268 486 F CB -0.370 38.511 39.000 -0.198 0.000 1.009 486 F HN 0.319 nan 8.300 nan 0.000 0.486 487 A N 0.700 123.592 122.820 0.119 0.000 1.841 487 A HA -0.241 4.079 4.320 0.000 0.000 0.216 487 A C 2.127 179.775 177.584 0.106 0.000 1.199 487 A CA 1.998 54.109 52.037 0.123 0.000 0.621 487 A CB -0.731 18.355 19.000 0.142 0.000 0.835 487 A HN 0.324 nan 8.150 nan 0.000 0.445 488 K N -0.190 120.258 120.400 0.081 0.000 2.103 488 K HA -0.047 4.273 4.320 0.000 0.000 0.207 488 K C 2.190 178.840 176.600 0.084 0.000 1.048 488 K CA 1.200 57.533 56.287 0.077 0.000 0.930 488 K CB -0.356 32.173 32.500 0.050 0.000 0.716 488 K HN 0.454 nan 8.250 nan 0.000 0.444 489 A N 0.349 123.216 122.820 0.078 0.000 1.972 489 A HA 0.010 4.330 4.320 0.000 0.000 0.219 489 A C 1.704 179.342 177.584 0.090 0.000 1.169 489 A CA 1.561 53.647 52.037 0.082 0.000 0.635 489 A CB -0.584 18.470 19.000 0.091 0.000 0.810 489 A HN 0.463 nan 8.150 nan 0.000 0.446 490 G N -1.972 106.886 108.800 0.097 0.000 2.134 490 G HA2 -0.179 3.781 3.960 0.000 0.000 0.209 490 G HA3 -0.179 3.781 3.960 0.000 0.000 0.209 490 G C 0.565 175.511 174.900 0.077 0.000 0.993 490 G CA 0.280 45.435 45.100 0.092 0.000 0.669 490 G HN 0.432 nan 8.290 nan 0.000 0.519 491 L N -0.157 121.102 121.223 0.060 0.000 2.558 491 L HA 0.328 4.669 4.340 0.000 0.000 0.225 491 L C 1.899 178.751 176.870 -0.031 0.000 1.128 491 L CA 0.371 55.204 54.840 -0.012 0.000 0.868 491 L CB -0.077 41.919 42.059 -0.104 0.000 1.006 491 L HN 0.323 nan 8.230 nan 0.000 0.454 492 M N 0.381 119.994 119.600 0.022 0.000 3.590 492 M HA 0.191 4.671 4.480 0.000 0.000 0.214 492 M C -0.521 175.806 176.300 0.045 0.000 1.306 492 M CA 0.310 55.618 55.300 0.015 0.000 1.479 492 M CB -0.036 32.612 32.600 0.079 0.000 1.083 492 M HN -0.077 nan 8.290 nan 0.000 0.617 493 T N -0.994 113.578 114.554 0.030 0.000 2.916 493 T HA 0.247 4.598 4.350 0.000 0.000 0.305 493 T C 0.975 175.699 174.700 0.041 0.000 1.119 493 T CA -0.593 61.538 62.100 0.052 0.000 1.008 493 T CB 1.970 70.878 68.868 0.067 0.000 1.129 493 T HN 0.513 nan 8.240 nan 0.000 0.480 494 S N 1.891 117.620 115.700 0.049 0.000 2.348 494 S HA -0.171 4.299 4.470 0.000 0.000 0.221 494 S C 1.857 176.479 174.600 0.037 0.000 1.033 494 S CA 1.367 59.592 58.200 0.041 0.000 1.010 494 S CB -0.411 62.818 63.200 0.048 0.000 0.891 494 S HN 0.873 nan 8.310 nan 0.000 0.442 495 E N 2.930 123.154 120.200 0.039 0.000 2.110 495 E HA -0.122 4.228 4.350 0.000 0.000 0.193 495 E C 2.225 178.853 176.600 0.047 0.000 0.988 495 E CA 1.161 57.579 56.400 0.031 0.000 0.804 495 E CB -0.819 28.897 29.700 0.026 0.000 0.745 495 E HN 0.588 nan 8.360 nan 0.000 0.458 496 A N 1.504 124.376 122.820 0.086 0.000 1.997 496 A HA -0.222 4.098 4.320 0.000 0.000 0.221 496 A C 2.409 180.100 177.584 0.179 0.000 1.172 496 A CA 2.424 54.565 52.037 0.173 0.000 0.645 496 A CB -1.137 17.940 19.000 0.128 0.000 0.813 496 A HN 0.375 nan 8.150 nan 0.000 0.454 497 T N -0.330 114.272 114.554 0.081 0.000 2.812 497 T HA -0.100 4.250 4.350 0.000 0.000 0.264 497 T C 2.178 176.900 174.700 0.037 0.000 1.042 497 T CA 1.986 64.121 62.100 0.057 0.000 1.140 497 T CB -0.609 68.271 68.868 0.020 0.000 0.870 497 T HN 0.848 nan 8.240 nan 0.000 0.445 498 T N 0.185 114.747 114.554 0.012 0.000 2.977 498 T HA -0.091 4.259 4.350 0.000 0.000 0.271 498 T C 1.770 176.430 174.700 -0.067 0.000 1.105 498 T CA 1.102 63.191 62.100 -0.018 0.000 1.116 498 T CB -0.199 68.658 68.868 -0.017 0.000 0.878 498 T HN 0.402 nan 8.240 nan 0.000 0.509 499 Q N -1.217 118.517 119.800 -0.110 0.000 2.352 499 Q HA 0.190 4.531 4.340 0.000 0.000 0.212 499 Q C 0.513 176.179 176.000 -0.557 0.000 0.888 499 Q CA 0.168 55.761 55.803 -0.349 0.000 0.934 499 Q CB 0.393 28.839 28.738 -0.487 0.000 1.093 499 Q HN 0.785 nan 8.270 nan 0.000 0.523 500 Y N -1.940 118.352 120.300 -0.013 0.000 2.459 500 Y HA 0.428 4.978 4.550 0.000 0.000 0.271 500 Y C 0.271 176.159 175.900 -0.020 0.000 1.063 500 Y CA -0.270 57.821 58.100 -0.016 0.000 1.216 500 Y CB 0.642 39.091 38.460 -0.018 0.000 1.335 500 Y HN 0.001 nan 8.280 nan 0.000 0.550 501 A N 1.936 124.827 122.820 0.118 0.000 2.476 501 A HA 0.456 4.776 4.320 0.000 0.000 0.275 501 A C 1.039 178.645 177.584 0.036 0.000 1.133 501 A CA 0.391 52.465 52.037 0.062 0.000 0.797 501 A CB -0.700 18.323 19.000 0.038 0.000 1.081 501 A HN 0.386 nan 8.150 nan 0.000 0.510 502 G N 2.521 111.340 108.800 0.032 0.000 2.321 502 G HA2 0.186 4.146 3.960 0.000 0.000 0.237 502 G HA3 0.186 4.146 3.960 0.000 0.000 0.237 502 G C 0.657 175.567 174.900 0.016 0.000 1.282 502 G CA 0.318 45.429 45.100 0.018 0.000 0.886 502 G HN 0.893 nan 8.290 nan 0.000 0.528 503 E N 1.750 121.956 120.200 0.010 0.000 2.160 503 E HA -0.329 4.021 4.350 0.000 0.000 0.237 503 E C 2.682 179.291 176.600 0.014 0.000 1.069 503 E CA 1.766 58.171 56.400 0.009 0.000 0.950 503 E CB -0.508 29.196 29.700 0.007 0.000 0.832 503 E HN 0.645 nan 8.360 nan 0.000 0.496 504 G N 1.918 110.729 108.800 0.019 0.000 2.624 504 G HA2 -0.338 3.622 3.960 0.000 0.000 0.221 504 G HA3 -0.338 3.622 3.960 0.000 0.000 0.221 504 G C 1.389 176.301 174.900 0.022 0.000 1.169 504 G CA 1.235 46.348 45.100 0.022 0.000 0.771 504 G HN 0.169 nan 8.290 nan 0.000 0.598 505 L N 1.037 122.275 121.223 0.024 0.000 1.973 505 L HA 0.012 4.352 4.340 0.000 0.000 0.208 505 L C 2.673 179.552 176.870 0.015 0.000 1.073 505 L CA 2.773 57.625 54.840 0.021 0.000 0.746 505 L CB -1.147 40.927 42.059 0.025 0.000 0.891 505 L HN 0.396 nan 8.230 nan 0.000 0.433 506 K N -0.534 119.875 120.400 0.015 0.000 2.207 506 K HA -0.224 4.096 4.320 0.000 0.000 0.208 506 K C 1.776 178.382 176.600 0.011 0.000 1.046 506 K CA 1.721 58.015 56.287 0.012 0.000 0.929 506 K CB -0.382 32.123 32.500 0.010 0.000 0.720 506 K HN 0.568 nan 8.250 nan 0.000 0.463 507 G N 0.751 109.558 108.800 0.011 0.000 2.575 507 G HA2 -0.284 3.676 3.960 0.000 0.000 0.215 507 G HA3 -0.284 3.676 3.960 0.000 0.000 0.215 507 G C 1.399 176.306 174.900 0.013 0.000 1.262 507 G CA 0.922 46.028 45.100 0.011 0.000 0.807 507 G HN 0.291 nan 8.290 nan 0.000 0.567 508 V N 0.703 120.625 119.914 0.014 0.000 2.380 508 V HA -0.128 3.992 4.120 0.000 0.000 0.251 508 V C 2.590 178.694 176.094 0.017 0.000 1.063 508 V CA 1.798 64.107 62.300 0.015 0.000 1.055 508 V CB -0.355 31.477 31.823 0.015 0.000 0.657 508 V HN 0.276 nan 8.190 nan 0.000 0.455 509 L N 1.096 122.326 121.223 0.013 0.000 2.013 509 L HA -0.142 4.198 4.340 0.000 0.000 0.212 509 L C 2.827 179.708 176.870 0.018 0.000 1.073 509 L CA 2.926 57.772 54.840 0.011 0.000 0.753 509 L CB -1.301 40.759 42.059 0.002 0.000 0.890 509 L HN 0.756 nan 8.230 nan 0.000 0.432 510 S N -0.982 114.728 115.700 0.018 0.000 2.414 510 S HA -0.018 4.452 4.470 0.000 0.000 0.227 510 S C 2.135 176.749 174.600 0.024 0.000 1.022 510 S CA 0.671 58.883 58.200 0.021 0.000 0.958 510 S CB -0.342 62.868 63.200 0.016 0.000 0.797 510 S HN 0.384 nan 8.310 nan 0.000 0.493 511 A N 2.908 125.741 122.820 0.021 0.000 1.841 511 A HA -0.003 4.317 4.320 0.000 0.000 0.216 511 A C 2.207 179.808 177.584 0.028 0.000 1.199 511 A CA 1.713 53.763 52.037 0.022 0.000 0.621 511 A CB -1.091 17.921 19.000 0.019 0.000 0.835 511 A HN 0.536 nan 8.150 nan 0.000 0.445 512 I N -0.193 120.397 120.570 0.033 0.000 2.118 512 I HA -0.264 3.906 4.170 0.000 0.000 0.241 512 I C 2.744 178.894 176.117 0.055 0.000 1.070 512 I CA 1.340 62.666 61.300 0.044 0.000 1.327 512 I CB -1.024 37.008 38.000 0.053 0.000 1.034 512 I HN 0.418 nan 8.210 nan 0.000 0.405 513 G N 0.524 109.359 108.800 0.059 0.000 2.476 513 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 513 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 513 G C 1.651 176.584 174.900 0.054 0.000 1.164 513 G CA 1.655 46.798 45.100 0.071 0.000 0.768 513 G HN 0.352 nan 8.290 nan 0.000 0.560 514 T N 1.705 116.283 114.554 0.039 0.000 2.737 514 T HA 0.057 4.407 4.350 0.000 0.000 0.265 514 T C 2.796 177.513 174.700 0.028 0.000 1.038 514 T CA 1.437 63.556 62.100 0.031 0.000 1.144 514 T CB -0.425 68.457 68.868 0.023 0.000 0.866 514 T HN 0.381 nan 8.240 nan 0.000 0.434 515 A N 1.279 124.116 122.820 0.028 0.000 2.024 515 A HA 0.227 4.547 4.320 0.000 0.000 0.220 515 A C 2.227 179.825 177.584 0.023 0.000 1.164 515 A CA 1.518 53.569 52.037 0.023 0.000 0.643 515 A CB -0.645 18.369 19.000 0.023 0.000 0.806 515 A HN 0.515 nan 8.150 nan 0.000 0.451 516 A N -1.324 121.514 122.820 0.031 0.000 2.415 516 A HA 0.510 4.830 4.320 0.000 0.000 0.248 516 A C 1.330 178.927 177.584 0.022 0.000 1.299 516 A CA 0.949 53.002 52.037 0.027 0.000 0.899 516 A CB -1.170 17.853 19.000 0.038 0.000 0.997 516 A HN 2.032 nan 8.150 nan 0.000 0.506 517 G N -0.550 108.263 108.800 0.023 0.000 2.693 517 G HA2 -0.060 3.900 3.960 0.000 0.000 0.226 517 G HA3 -0.060 3.900 3.960 0.000 0.000 0.226 517 G C 0.119 175.037 174.900 0.030 0.000 1.354 517 G CA -0.490 44.622 45.100 0.020 0.000 0.873 517 G HN 1.284 nan 8.290 nan 0.000 0.562 518 L N -0.719 120.520 121.223 0.026 0.000 3.760 518 L HA -0.105 4.235 4.340 0.000 0.000 0.604 518 L C 1.715 178.612 176.870 0.044 0.000 1.108 518 L CA 0.434 55.295 54.840 0.036 0.000 0.941 518 L CB -1.527 40.559 42.059 0.045 0.000 1.244 518 L HN 2.241 nan 8.230 nan 0.000 0.789 519 G N 1.970 110.790 108.800 0.034 0.000 2.227 519 G HA2 0.318 4.278 3.960 0.000 0.000 0.250 519 G HA3 0.318 4.278 3.960 0.000 0.000 0.250 519 G C 0.916 175.838 174.900 0.036 0.000 0.910 519 G CA 0.601 45.720 45.100 0.032 0.000 0.922 519 G HN 1.519 nan 8.290 nan 0.000 0.385 520 G N 3.531 112.351 108.800 0.033 0.000 2.549 520 G HA2 0.088 4.049 3.960 0.000 0.000 0.404 520 G HA3 0.088 4.049 3.960 0.000 0.000 0.404 520 G C -2.818 172.105 174.900 0.039 0.000 1.292 520 G CA -0.207 44.912 45.100 0.032 0.000 0.935 520 G HN 0.909 nan 8.290 nan 0.000 0.512 521 P HA 0.578 nan 4.420 nan 0.000 0.281 521 P C 0.467 177.793 177.300 0.042 0.000 1.264 521 P CA -0.638 62.482 63.100 0.035 0.000 0.824 521 P CB 0.932 32.645 31.700 0.022 0.000 1.092 522 L N 1.184 122.430 121.223 0.037 0.000 2.479 522 L HA 0.148 4.488 4.340 0.000 0.000 0.270 522 L C -1.885 174.956 176.870 -0.047 0.000 1.236 522 L CA -1.514 53.336 54.840 0.017 0.000 0.823 522 L CB -0.804 41.248 42.059 -0.011 0.000 1.098 522 L HN 0.249 nan 8.230 nan 0.000 0.500 523 P HA -0.048 nan 4.420 nan 0.000 0.271 523 P C 0.605 177.817 177.300 -0.146 0.000 1.216 523 P CA -0.325 62.700 63.100 -0.124 0.000 0.776 523 P CB 0.562 32.157 31.700 -0.175 0.000 0.881 524 L N 3.679 124.847 121.223 -0.092 0.000 2.137 524 L HA -0.088 4.252 4.340 0.000 0.000 0.213 524 L C -0.011 176.750 176.870 -0.181 0.000 1.085 524 L CA 2.268 57.051 54.840 -0.096 0.000 0.760 524 L CB -0.135 41.891 42.059 -0.056 0.000 0.893 524 L HN 0.070 nan 8.230 nan 0.000 0.434 525 V N 0.953 120.725 119.914 -0.236 0.000 2.483 525 V HA 0.301 4.421 4.120 0.000 0.000 0.297 525 V C 0.127 176.060 176.094 -0.269 0.000 1.027 525 V CA -0.447 61.668 62.300 -0.308 0.000 0.855 525 V CB 1.692 33.205 31.823 -0.517 0.000 0.995 525 V HN 0.094 nan 8.190 nan 0.000 0.424 526 M N 4.504 123.939 119.600 -0.275 0.000 2.080 526 M HA 0.384 4.864 4.480 0.000 0.000 0.350 526 M C -0.202 176.061 176.300 -0.061 0.000 1.173 526 M CA -0.541 54.538 55.300 -0.369 0.000 1.052 526 M CB 0.576 32.908 32.600 -0.447 0.000 1.577 526 M HN 0.650 nan 8.290 nan 0.000 0.455 527 H N 5.269 124.316 119.070 -0.038 0.000 3.086 527 H HA 0.164 4.720 4.556 0.000 0.000 0.265 527 H C 0.086 175.503 175.328 0.148 0.000 1.092 527 H CA 0.576 56.674 56.048 0.084 0.000 1.487 527 H CB 0.572 30.414 29.762 0.133 0.000 1.514 527 H HN 0.756 nan 8.280 nan 0.000 0.497 528 M N 3.691 123.522 119.600 0.385 0.000 2.431 528 M HA 0.179 4.659 4.480 0.000 0.000 0.237 528 M C 0.940 177.377 176.300 0.227 0.000 1.130 528 M CA 0.510 55.968 55.300 0.263 0.000 1.002 528 M CB 0.479 33.181 32.600 0.170 0.000 1.524 528 M HN 0.826 nan 8.290 nan 0.000 0.482 529 G N 0.428 109.434 108.800 0.344 0.000 2.396 529 G HA2 -0.166 3.794 3.960 0.000 0.000 0.254 529 G HA3 -0.166 3.794 3.960 0.000 0.000 0.254 529 G C -0.367 174.655 174.900 0.204 0.000 1.248 529 G CA -0.406 44.812 45.100 0.195 0.000 1.033 529 G HN 0.402 nan 8.290 nan 0.000 0.502 530 S N -1.134 114.666 115.700 0.168 0.000 2.633 530 S HA 0.363 4.833 4.470 0.000 0.000 0.257 530 S C 1.805 176.492 174.600 0.145 0.000 1.265 530 S CA 0.518 58.818 58.200 0.166 0.000 0.980 530 S CB 0.555 63.872 63.200 0.195 0.000 1.017 530 S HN 1.472 nan 8.310 nan 0.000 0.577 531 C N 0.492 119.914 119.300 0.203 0.000 2.413 531 C HA -0.097 4.363 4.460 0.000 0.000 0.277 531 C C 2.944 178.006 174.990 0.119 0.000 1.228 531 C CA 0.862 60.016 59.018 0.226 0.000 1.731 531 C CB -1.966 26.044 27.740 0.450 0.000 2.042 531 C HN 0.811 nan 8.230 nan 0.000 0.468 532 V N 0.278 120.231 119.914 0.064 0.000 2.469 532 V HA -0.166 3.954 4.120 0.000 0.000 0.251 532 V C 1.375 177.449 176.094 -0.034 0.000 1.064 532 V CA 2.430 64.664 62.300 -0.111 0.000 1.066 532 V CB -1.006 30.757 31.823 -0.100 0.000 0.667 532 V HN 0.371 nan 8.190 nan 0.000 0.461 533 D N 1.014 121.441 120.400 0.044 0.000 2.379 533 D HA -0.048 4.592 4.640 0.000 0.000 0.243 533 D C 1.635 177.981 176.300 0.076 0.000 1.088 533 D CA 0.445 54.477 54.000 0.053 0.000 0.925 533 D CB -0.628 40.224 40.800 0.087 0.000 0.888 533 D HN 0.498 nan 8.370 nan 0.000 0.529 534 N N -0.281 118.482 118.700 0.104 0.000 2.512 534 N HA -0.077 4.663 4.740 0.000 0.000 0.183 534 N C 1.470 177.071 175.510 0.151 0.000 1.073 534 N CA 0.329 53.490 53.050 0.185 0.000 0.911 534 N CB 0.222 38.910 38.487 0.336 0.000 0.964 534 N HN 0.186 nan 8.380 nan 0.000 0.447 535 S N 0.136 115.850 115.700 0.024 0.000 2.461 535 S HA 0.092 4.562 4.470 0.000 0.000 0.228 535 S C 1.789 176.384 174.600 -0.008 0.000 1.005 535 S CA 0.137 58.296 58.200 -0.069 0.000 0.942 535 S CB 0.099 63.204 63.200 -0.158 0.000 0.776 535 S HN 0.163 nan 8.310 nan 0.000 0.514 536 R N 1.728 122.245 120.500 0.028 0.000 2.096 536 R HA 0.077 4.418 4.340 0.000 0.000 0.235 536 R C 2.533 178.866 176.300 0.055 0.000 1.127 536 R CA 1.425 57.553 56.100 0.046 0.000 0.968 536 R CB -1.048 29.293 30.300 0.068 0.000 0.861 536 R HN 0.592 nan 8.270 nan 0.000 0.440 537 A N 0.457 123.319 122.820 0.070 0.000 1.930 537 A HA -0.043 4.277 4.320 0.000 0.000 0.215 537 A C 2.397 180.017 177.584 0.059 0.000 1.176 537 A CA 0.924 53.004 52.037 0.071 0.000 0.632 537 A CB -0.313 18.740 19.000 0.087 0.000 0.819 537 A HN 0.088 nan 8.150 nan 0.000 0.445 538 V N 0.095 120.043 119.914 0.057 0.000 2.407 538 V HA -0.237 3.883 4.120 0.000 0.000 0.248 538 V C 2.984 179.084 176.094 0.008 0.000 1.055 538 V CA 1.794 64.111 62.300 0.028 0.000 1.049 538 V CB -1.276 30.517 31.823 -0.051 0.000 0.662 538 V HN 0.595 nan 8.190 nan 0.000 0.455 539 A N -0.259 122.567 122.820 0.009 0.000 1.858 539 A HA -0.163 4.157 4.320 0.000 0.000 0.216 539 A C 2.284 179.881 177.584 0.021 0.000 1.190 539 A CA 1.889 53.934 52.037 0.015 0.000 0.617 539 A CB -0.618 18.397 19.000 0.024 0.000 0.827 539 A HN 0.446 nan 8.150 nan 0.000 0.443 540 L N -0.734 120.507 121.223 0.029 0.000 2.042 540 L HA -0.231 4.109 4.340 0.000 0.000 0.210 540 L C 2.996 179.879 176.870 0.022 0.000 1.076 540 L CA 1.419 56.276 54.840 0.030 0.000 0.749 540 L CB -0.453 41.630 42.059 0.039 0.000 0.893 540 L HN 0.468 nan 8.230 nan 0.000 0.432 541 A N -0.241 122.591 122.820 0.021 0.000 1.865 541 A HA -0.270 4.050 4.320 0.000 0.000 0.217 541 A C 2.314 179.904 177.584 0.010 0.000 1.191 541 A CA 2.577 54.623 52.037 0.014 0.000 0.623 541 A CB -1.198 17.813 19.000 0.019 0.000 0.826 541 A HN 0.591 nan 8.150 nan 0.000 0.444 542 T N -1.827 112.733 114.554 0.009 0.000 2.833 542 T HA 0.048 4.399 4.350 0.000 0.000 0.269 542 T C 1.906 176.608 174.700 0.004 0.000 1.054 542 T CA 1.715 63.817 62.100 0.004 0.000 1.135 542 T CB -0.602 68.266 68.868 -0.001 0.000 0.869 542 T HN 0.597 nan 8.240 nan 0.000 0.466 543 A N 1.772 124.596 122.820 0.008 0.000 1.858 543 A HA 0.154 4.474 4.320 0.000 0.000 0.216 543 A C 2.398 179.986 177.584 0.007 0.000 1.190 543 A CA 1.436 53.477 52.037 0.008 0.000 0.617 543 A CB -1.049 17.959 19.000 0.013 0.000 0.827 543 A HN 0.533 nan 8.150 nan 0.000 0.443 544 L N -0.658 120.570 121.223 0.008 0.000 2.042 544 L HA -0.183 4.157 4.340 0.000 0.000 0.210 544 L C 2.794 179.665 176.870 0.003 0.000 1.076 544 L CA 1.657 56.500 54.840 0.006 0.000 0.749 544 L CB -0.439 41.624 42.059 0.006 0.000 0.893 544 L HN 0.411 nan 8.230 nan 0.000 0.432 545 A N 0.197 123.018 122.820 0.002 0.000 1.908 545 A HA -0.248 4.072 4.320 0.000 0.000 0.218 545 A C 1.926 179.510 177.584 -0.001 0.000 1.181 545 A CA 2.018 54.055 52.037 -0.000 0.000 0.627 545 A CB -0.706 18.294 19.000 -0.000 0.000 0.818 545 A HN 0.604 nan 8.150 nan 0.000 0.445 546 N N -0.274 118.426 118.700 -0.000 0.000 2.188 546 N HA -0.135 4.605 4.740 0.000 0.000 0.184 546 N C 1.654 177.164 175.510 -0.001 0.000 1.018 546 N CA 1.569 54.618 53.050 -0.001 0.000 0.858 546 N CB -0.317 38.169 38.487 -0.002 0.000 0.989 546 N HN 0.466 nan 8.380 nan 0.000 0.426 547 K N 1.496 121.897 120.400 0.001 0.000 2.032 547 K HA 0.026 4.346 4.320 0.000 0.000 0.209 547 K C 1.650 178.250 176.600 0.000 0.000 1.048 547 K CA 1.006 57.294 56.287 0.001 0.000 0.927 547 K CB -0.386 32.116 32.500 0.003 0.000 0.712 547 K HN 0.158 nan 8.250 nan 0.000 0.441 548 L N -0.391 120.832 121.223 -0.000 0.000 2.599 548 L HA 0.160 4.500 4.340 0.000 0.000 0.230 548 L C 0.949 177.818 176.870 -0.002 0.000 1.141 548 L CA 0.348 55.188 54.840 -0.001 0.000 0.877 548 L CB -0.597 41.461 42.059 -0.002 0.000 1.009 548 L HN 0.529 nan 8.230 nan 0.000 0.447 549 G N 0.916 109.715 108.800 -0.002 0.000 2.305 549 G HA2 -0.257 3.704 3.960 0.000 0.000 0.287 549 G HA3 -0.257 3.704 3.960 0.000 0.000 0.287 549 G C -0.101 174.798 174.900 -0.002 0.000 1.036 549 G CA 0.669 45.768 45.100 -0.002 0.000 0.887 549 G HN 0.251 nan 8.290 nan 0.000 0.505 550 V N -1.327 118.586 119.914 -0.002 0.000 3.145 550 V HA 0.861 4.981 4.120 0.000 0.000 0.311 550 V C -0.702 175.391 176.094 -0.001 0.000 1.238 550 V CA -0.417 61.882 62.300 -0.002 0.000 1.066 550 V CB 2.140 33.962 31.823 -0.002 0.000 1.144 550 V HN 0.276 nan 8.190 nan 0.000 0.465 551 D N -0.441 119.958 120.400 -0.001 0.000 2.340 551 D HA 0.384 5.024 4.640 0.000 0.000 0.243 551 D C 0.771 177.071 176.300 0.000 0.000 0.988 551 D CA -0.338 53.663 54.000 0.000 0.000 0.959 551 D CB 1.950 42.752 40.800 0.002 0.000 1.226 551 D HN 0.289 nan 8.370 nan 0.000 0.509 552 L N 1.179 122.403 121.223 0.001 0.000 2.127 552 L HA -0.134 4.207 4.340 0.000 0.000 0.211 552 L C 2.212 179.079 176.870 -0.005 0.000 1.089 552 L CA 1.517 56.357 54.840 -0.001 0.000 0.757 552 L CB -0.829 41.233 42.059 0.005 0.000 0.899 552 L HN 0.421 nan 8.230 nan 0.000 0.434 553 S N -1.761 113.939 115.700 0.001 0.000 2.595 553 S HA -0.086 4.384 4.470 0.000 0.000 0.235 553 S C 1.080 175.684 174.600 0.008 0.000 0.974 553 S CA 0.935 59.138 58.200 0.006 0.000 0.942 553 S CB -0.370 62.839 63.200 0.015 0.000 0.766 553 S HN 0.494 nan 8.310 nan 0.000 0.536 554 D N 0.450 120.850 120.400 0.001 0.000 2.473 554 D HA 0.276 4.916 4.640 0.000 0.000 0.230 554 D C 0.505 176.800 176.300 -0.009 0.000 1.097 554 D CA -0.042 53.957 54.000 -0.001 0.000 0.861 554 D CB 0.241 41.040 40.800 -0.001 0.000 1.114 554 D HN 0.374 nan 8.370 nan 0.000 0.500 555 L N 2.791 124.006 121.223 -0.013 0.000 2.464 555 L HA 0.163 4.503 4.340 0.000 0.000 0.264 555 L C -1.753 175.099 176.870 -0.030 0.000 1.199 555 L CA -1.306 53.522 54.840 -0.019 0.000 0.818 555 L CB 0.315 42.364 42.059 -0.017 0.000 1.102 555 L HN -0.226 nan 8.230 nan 0.000 0.473 556 P HA 0.098 nan 4.420 nan 0.000 0.220 556 P C -0.731 176.533 177.300 -0.060 0.000 1.778 556 P CA -0.149 62.917 63.100 -0.057 0.000 0.912 556 P CB 0.179 31.840 31.700 -0.066 0.000 1.861 557 L N 1.537 122.726 121.223 -0.056 0.000 2.296 557 L HA 0.574 4.914 4.340 0.000 0.000 0.286 557 L C -0.851 175.966 176.870 -0.088 0.000 1.023 557 L CA -0.619 54.183 54.840 -0.063 0.000 0.812 557 L CB 1.879 43.911 42.059 -0.044 0.000 1.223 557 L HN -0.107 nan 8.230 nan 0.000 0.421 558 V N 4.971 124.819 119.914 -0.110 0.000 2.841 558 V HA 0.929 5.050 4.120 0.000 0.000 0.310 558 V C -0.674 175.322 176.094 -0.164 0.000 1.090 558 V CA -0.073 62.143 62.300 -0.139 0.000 0.930 558 V CB 1.992 33.739 31.823 -0.127 0.000 1.014 558 V HN 1.081 nan 8.190 nan 0.000 0.425 559 A N 3.980 126.701 122.820 -0.165 0.000 2.337 559 A HA 0.908 5.228 4.320 0.000 0.000 0.329 559 A C -0.361 177.166 177.584 -0.095 0.000 1.146 559 A CA -0.170 51.772 52.037 -0.157 0.000 0.800 559 A CB 1.721 20.623 19.000 -0.163 0.000 1.220 559 A HN 1.367 nan 8.150 nan 0.000 0.472 560 S N 0.779 116.441 115.700 -0.064 0.000 2.619 560 S HA 0.637 5.107 4.470 0.000 0.000 0.280 560 S C -0.694 174.074 174.600 0.279 0.000 1.150 560 S CA 0.201 58.505 58.200 0.173 0.000 0.978 560 S CB 1.307 64.637 63.200 0.217 0.000 1.041 560 S HN 1.937 nan 8.310 nan 0.000 0.485 561 A N 6.541 129.465 122.820 0.173 0.000 3.064 561 A HA 0.614 4.934 4.320 0.000 0.000 0.339 561 A C -2.135 175.487 177.584 0.063 0.000 1.078 561 A CA -1.524 50.607 52.037 0.156 0.000 0.869 561 A CB 0.181 19.201 19.000 0.033 0.000 1.067 561 A HN 0.635 nan 8.150 nan 0.000 0.480 562 P HA -0.200 nan 4.420 nan 0.000 0.216 562 P C 0.514 177.706 177.300 -0.179 0.000 1.154 562 P CA 1.593 64.727 63.100 0.056 0.000 0.865 562 P CB 0.281 31.993 31.700 0.019 0.000 0.789 563 E N -1.668 118.372 120.200 -0.267 0.000 2.995 563 E HA 0.123 4.473 4.350 0.000 0.000 0.203 563 E C -0.007 176.534 176.600 -0.098 0.000 0.980 563 E CA -0.418 55.834 56.400 -0.247 0.000 1.172 563 E CB -0.360 29.081 29.700 -0.432 0.000 1.088 563 E HN 0.287 nan 8.360 nan 0.000 0.463 564 C N -0.057 119.212 119.300 -0.052 0.000 2.702 564 C HA 0.252 4.712 4.460 0.000 0.000 0.411 564 C C 1.283 176.224 174.990 -0.081 0.000 1.286 564 C CA -0.260 58.731 59.018 -0.044 0.000 1.979 564 C CB 0.616 28.327 27.740 -0.047 0.000 2.728 564 C HN 0.554 nan 8.230 nan 0.000 0.652 565 M N 1.876 121.417 119.600 -0.099 0.000 1.824 565 M HA 0.148 4.628 4.480 0.000 0.000 0.252 565 M C 0.655 176.878 176.300 -0.128 0.000 1.108 565 M CA 0.649 55.879 55.300 -0.117 0.000 1.017 565 M CB -0.664 31.850 32.600 -0.143 0.000 1.847 565 M HN 0.951 nan 8.290 nan 0.000 0.652 566 S N 0.914 116.521 115.700 -0.156 0.000 2.632 566 S HA 0.281 4.751 4.470 0.000 0.000 0.267 566 S C 0.675 175.201 174.600 -0.124 0.000 1.276 566 S CA -0.210 57.897 58.200 -0.156 0.000 0.998 566 S CB 1.124 64.208 63.200 -0.192 0.000 0.953 566 S HN 0.407 nan 8.310 nan 0.000 0.547 567 E N 0.694 120.818 120.200 -0.126 0.000 2.150 567 E HA -0.115 4.236 4.350 0.000 0.000 0.193 567 E C 1.886 178.417 176.600 -0.116 0.000 0.985 567 E CA 0.930 57.261 56.400 -0.116 0.000 0.814 567 E CB -0.113 29.517 29.700 -0.116 0.000 0.752 567 E HN 0.613 nan 8.360 nan 0.000 0.466 568 K N 0.584 120.887 120.400 -0.161 0.000 2.026 568 K HA -0.139 4.181 4.320 0.000 0.000 0.208 568 K C 2.247 178.812 176.600 -0.059 0.000 1.048 568 K CA 1.127 57.295 56.287 -0.197 0.000 0.929 568 K CB -0.169 32.096 32.500 -0.391 0.000 0.713 568 K HN 0.052 nan 8.250 nan 0.000 0.439 569 A N 1.274 124.057 122.820 -0.061 0.000 1.908 569 A HA -0.181 4.139 4.320 0.000 0.000 0.218 569 A C 2.059 179.606 177.584 -0.062 0.000 1.181 569 A CA 1.294 53.306 52.037 -0.040 0.000 0.627 569 A CB -0.547 18.422 19.000 -0.051 0.000 0.818 569 A HN 0.200 nan 8.150 nan 0.000 0.445 570 L N -0.623 120.560 121.223 -0.067 0.000 2.131 570 L HA -0.064 4.276 4.340 0.000 0.000 0.210 570 L C 2.720 179.569 176.870 -0.036 0.000 1.092 570 L CA 1.747 56.551 54.840 -0.060 0.000 0.759 570 L CB -0.649 41.362 42.059 -0.080 0.000 0.903 570 L HN 0.388 nan 8.230 nan 0.000 0.435 571 A N -0.580 122.222 122.820 -0.030 0.000 1.872 571 A HA -0.128 4.193 4.320 0.000 0.000 0.214 571 A C 2.248 179.730 177.584 -0.171 0.000 1.187 571 A CA 1.598 53.644 52.037 0.015 0.000 0.614 571 A CB -0.668 18.401 19.000 0.116 0.000 0.826 571 A HN 0.367 nan 8.150 nan 0.000 0.442 572 I N -0.036 120.380 120.570 -0.256 0.000 2.118 572 I HA -0.295 3.876 4.170 0.000 0.000 0.241 572 I C 2.709 178.210 176.117 -1.027 0.000 1.070 572 I CA 1.427 62.227 61.300 -0.834 0.000 1.327 572 I CB -0.741 37.048 38.000 -0.351 0.000 1.034 572 I HN 0.421 nan 8.210 nan 0.000 0.405 573 G N -0.273 108.270 108.800 -0.427 0.000 2.442 573 G HA2 -0.234 3.726 3.960 0.000 0.000 0.219 573 G HA3 -0.234 3.726 3.960 0.000 0.000 0.219 573 G C 1.754 176.524 174.900 -0.216 0.000 1.141 573 G CA 1.031 45.985 45.100 -0.244 0.000 0.763 573 G HN 0.373 nan 8.290 nan 0.000 0.554 574 S N 0.141 115.817 115.700 -0.040 0.000 2.368 574 S HA -0.087 4.384 4.470 0.000 0.000 0.224 574 S C 1.973 176.574 174.600 0.001 0.000 1.029 574 S CA 1.382 59.632 58.200 0.084 0.000 0.988 574 S CB -0.392 62.908 63.200 0.166 0.000 0.838 574 S HN 0.852 nan 8.310 nan 0.000 0.462 575 W N 1.573 122.880 121.300 0.012 0.000 2.518 575 W HA 0.277 4.937 4.660 0.000 0.000 0.273 575 W C 2.027 178.509 176.519 -0.061 0.000 1.247 575 W CA 0.433 57.766 57.345 -0.021 0.000 1.288 575 W CB -0.693 28.761 29.460 -0.011 0.000 1.107 575 W HN 0.250 nan 8.180 nan 0.000 0.586 576 A N 1.932 124.619 122.820 -0.221 0.000 1.908 576 A HA -0.133 4.187 4.320 0.000 0.000 0.218 576 A C 2.225 179.730 177.584 -0.132 0.000 1.181 576 A CA 2.510 54.440 52.037 -0.177 0.000 0.627 576 A CB -1.038 17.683 19.000 -0.464 0.000 0.818 576 A HN 0.152 nan 8.150 nan 0.000 0.445 577 V N -0.390 119.358 119.914 -0.277 0.000 2.427 577 V HA -0.173 3.947 4.120 0.000 0.000 0.248 577 V C 2.645 178.674 176.094 -0.109 0.000 1.051 577 V CA 2.326 64.438 62.300 -0.313 0.000 1.048 577 V CB -0.952 30.515 31.823 -0.592 0.000 0.666 577 V HN 0.622 nan 8.190 nan 0.000 0.456 578 T N -0.251 114.298 114.554 -0.008 0.000 2.985 578 T HA 0.049 4.399 4.350 0.000 0.000 0.266 578 T C 1.832 176.567 174.700 0.057 0.000 1.076 578 T CA 0.967 63.095 62.100 0.046 0.000 1.135 578 T CB -0.114 68.809 68.868 0.092 0.000 0.890 578 T HN 0.301 nan 8.240 nan 0.000 0.480 579 I N 0.498 121.126 120.570 0.098 0.000 2.394 579 I HA -0.043 4.127 4.170 0.000 0.000 0.251 579 I C 2.103 178.242 176.117 0.036 0.000 1.136 579 I CA 1.346 62.697 61.300 0.084 0.000 1.425 579 I CB -0.072 38.021 38.000 0.156 0.000 1.079 579 I HN 0.533 nan 8.210 nan 0.000 0.425 580 G N -0.155 108.650 108.800 0.008 0.000 2.425 580 G HA2 -0.101 3.859 3.960 0.000 0.000 0.177 580 G HA3 -0.101 3.859 3.960 0.000 0.000 0.177 580 G C 0.218 175.085 174.900 -0.056 0.000 0.999 580 G CA -0.613 44.479 45.100 -0.013 0.000 0.723 580 G HN 0.111 nan 8.290 nan 0.000 0.491 581 L N 1.272 122.441 121.223 -0.090 0.000 2.371 581 L HA 0.422 4.762 4.340 0.000 0.000 0.272 581 L C -2.325 174.360 176.870 -0.308 0.000 1.124 581 L CA -1.823 52.922 54.840 -0.157 0.000 0.816 581 L CB 0.819 42.799 42.059 -0.131 0.000 1.129 581 L HN -0.134 nan 8.230 nan 0.000 0.448 582 P HA 0.145 nan 4.420 nan 0.000 0.281 582 P C -0.913 176.100 177.300 -0.478 0.000 1.286 582 P CA -0.046 62.601 63.100 -0.755 0.000 0.772 582 P CB 0.911 32.183 31.700 -0.713 0.000 0.862 583 T N 3.470 117.733 114.554 -0.486 0.000 2.794 583 T HA 0.249 4.599 4.350 0.000 0.000 0.280 583 T C -0.498 174.177 174.700 -0.041 0.000 0.987 583 T CA -0.370 61.561 62.100 -0.281 0.000 0.993 583 T CB 0.432 69.045 68.868 -0.424 0.000 0.939 583 T HN 0.412 nan 8.240 nan 0.000 0.449 584 H N 2.613 121.662 119.070 -0.036 0.000 2.459 584 H HA 0.594 5.150 4.556 0.000 0.000 0.332 584 H C -1.002 174.392 175.328 0.110 0.000 1.094 584 H CA -0.812 55.273 56.048 0.061 0.000 1.224 584 H CB 1.136 30.927 29.762 0.049 0.000 1.449 584 H HN 0.471 nan 8.280 nan 0.000 0.484 585 V N 2.477 122.141 119.914 -0.417 0.000 2.487 585 V HA 0.493 4.613 4.120 0.000 0.000 0.298 585 V C 0.741 176.518 176.094 -0.529 0.000 1.028 585 V CA -0.381 61.677 62.300 -0.404 0.000 0.860 585 V CB 1.383 33.126 31.823 -0.132 0.000 0.991 585 V HN 0.883 nan 8.190 nan 0.000 0.427 586 G N 1.859 110.391 108.800 -0.448 0.000 3.523 586 G HA2 0.292 4.252 3.960 0.000 0.000 0.270 586 G HA3 0.292 4.252 3.960 0.000 0.000 0.270 586 G C 0.594 175.437 174.900 -0.095 0.000 1.134 586 G CA 0.540 45.538 45.100 -0.170 0.000 0.825 586 G HN 0.703 nan 8.290 nan 0.000 0.534 587 S N -0.677 114.958 115.700 -0.108 0.000 2.593 587 S HA 0.224 4.694 4.470 0.000 0.000 0.235 587 S C 0.401 174.963 174.600 -0.063 0.000 1.059 587 S CA 0.179 58.331 58.200 -0.080 0.000 0.953 587 S CB 0.873 64.020 63.200 -0.088 0.000 0.897 587 S HN 0.494 nan 8.310 nan 0.000 0.507 588 V N 2.175 122.043 119.914 -0.076 0.000 3.765 588 V HA -0.111 4.010 4.120 0.000 0.000 0.447 588 V C -2.829 173.221 176.094 -0.073 0.000 0.680 588 V CA -0.668 61.592 62.300 -0.066 0.000 1.894 588 V CB -1.958 29.845 31.823 -0.034 0.000 2.321 588 V HN 0.244 nan 8.190 nan 0.000 0.492 589 P HA 0.350 nan 4.420 nan 0.000 0.274 589 P C -2.316 174.951 177.300 -0.055 0.000 1.246 589 P CA -1.462 61.581 63.100 -0.094 0.000 0.795 589 P CB 0.323 31.922 31.700 -0.168 0.000 1.006 590 P HA -0.029 nan 4.420 nan 0.000 0.232 590 P C 0.083 177.381 177.300 -0.004 0.000 1.606 590 P CA 0.741 63.845 63.100 0.007 0.000 1.105 590 P CB -0.423 31.313 31.700 0.060 0.000 1.919 591 V N 1.327 121.222 119.914 -0.031 0.000 3.090 591 V HA -0.062 4.059 4.120 0.000 0.000 0.237 591 V C 2.277 178.358 176.094 -0.022 0.000 1.209 591 V CA 0.346 62.626 62.300 -0.033 0.000 1.209 591 V CB -0.763 31.020 31.823 -0.067 0.000 0.971 591 V HN 0.271 nan 8.190 nan 0.000 0.477 592 I N 0.974 121.530 120.570 -0.024 0.000 2.290 592 I HA -0.188 3.983 4.170 0.000 0.000 0.253 592 I C 2.151 178.258 176.117 -0.017 0.000 1.112 592 I CA 2.154 63.446 61.300 -0.014 0.000 1.377 592 I CB -1.225 36.768 38.000 -0.012 0.000 1.060 592 I HN 0.324 nan 8.210 nan 0.000 0.428 593 G N 0.372 109.156 108.800 -0.027 0.000 2.586 593 G HA2 -0.123 3.837 3.960 0.000 0.000 0.215 593 G HA3 -0.123 3.837 3.960 0.000 0.000 0.215 593 G C 0.674 175.559 174.900 -0.024 0.000 1.128 593 G CA 0.749 45.827 45.100 -0.037 0.000 0.774 593 G HN 0.475 nan 8.290 nan 0.000 0.543 594 S N -1.084 114.610 115.700 -0.010 0.000 2.647 594 S HA 0.388 4.858 4.470 0.000 0.000 0.300 594 S C 0.809 175.413 174.600 0.008 0.000 1.129 594 S CA -0.608 57.592 58.200 0.001 0.000 1.029 594 S CB 1.570 64.775 63.200 0.009 0.000 1.007 594 S HN 0.314 nan 8.310 nan 0.000 0.484 595 Q N 3.083 122.890 119.800 0.012 0.000 2.137 595 Q HA -0.005 4.335 4.340 0.000 0.000 0.198 595 Q C 1.293 177.307 176.000 0.023 0.000 0.960 595 Q CA 1.192 57.005 55.803 0.018 0.000 0.847 595 Q CB -0.170 28.578 28.738 0.018 0.000 0.915 595 Q HN 0.775 nan 8.270 nan 0.000 0.448 596 I N 0.037 120.621 120.570 0.024 0.000 2.163 596 I HA -0.263 3.907 4.170 0.000 0.000 0.243 596 I C 2.182 178.319 176.117 0.033 0.000 1.085 596 I CA 1.153 62.471 61.300 0.029 0.000 1.347 596 I CB -0.631 37.387 38.000 0.031 0.000 1.044 596 I HN -0.010 nan 8.210 nan 0.000 0.408 597 V N -0.126 119.806 119.914 0.030 0.000 2.270 597 V HA -0.291 3.830 4.120 0.000 0.000 0.245 597 V C 2.454 178.569 176.094 0.034 0.000 1.043 597 V CA 2.443 64.762 62.300 0.032 0.000 1.014 597 V CB -1.243 30.593 31.823 0.022 0.000 0.645 597 V HN 0.445 nan 8.190 nan 0.000 0.447 598 T N -0.289 114.280 114.554 0.024 0.000 2.721 598 T HA -0.309 4.041 4.350 0.000 0.000 0.268 598 T C 1.905 176.637 174.700 0.053 0.000 1.038 598 T CA 2.125 64.242 62.100 0.029 0.000 1.145 598 T CB -0.234 68.647 68.868 0.022 0.000 0.858 598 T HN 0.499 nan 8.240 nan 0.000 0.459 599 K N 0.712 121.140 120.400 0.047 0.000 1.984 599 K HA 0.007 4.327 4.320 0.000 0.000 0.209 599 K C 2.319 178.959 176.600 0.066 0.000 1.046 599 K CA 0.985 57.301 56.287 0.050 0.000 0.934 599 K CB -0.353 32.169 32.500 0.036 0.000 0.717 599 K HN 0.259 nan 8.250 nan 0.000 0.438 600 L N 1.228 122.491 121.223 0.066 0.000 2.021 600 L HA -0.225 4.115 4.340 0.000 0.000 0.215 600 L C 2.401 179.343 176.870 0.120 0.000 1.074 600 L CA 1.757 56.645 54.840 0.079 0.000 0.760 600 L CB -0.621 41.481 42.059 0.072 0.000 0.889 600 L HN 0.261 nan 8.230 nan 0.000 0.433 601 V N -4.465 115.541 119.914 0.153 0.000 3.461 601 V HA -0.001 4.119 4.120 0.000 0.000 0.267 601 V C 1.689 177.989 176.094 0.343 0.000 1.186 601 V CA 1.368 63.833 62.300 0.275 0.000 1.154 601 V CB -0.506 31.491 31.823 0.290 0.000 0.802 601 V HN 0.614 nan 8.190 nan 0.000 0.474 602 T N -4.464 110.227 114.554 0.229 0.000 3.016 602 T HA 0.386 4.736 4.350 0.000 0.000 0.271 602 T C 1.021 175.792 174.700 0.118 0.000 0.968 602 T CA 0.532 62.779 62.100 0.244 0.000 0.891 602 T CB 0.471 69.462 68.868 0.205 0.000 1.149 602 T HN 0.539 nan 8.240 nan 0.000 0.524 603 E N 0.674 120.919 120.200 0.073 0.000 3.155 603 E HA 0.102 4.452 4.350 0.000 0.000 0.208 603 E C 1.468 178.075 176.600 0.012 0.000 1.060 603 E CA 0.512 56.911 56.400 -0.003 0.000 1.522 603 E CB 0.190 29.887 29.700 -0.005 0.000 1.433 603 E HN 0.223 nan 8.360 nan 0.000 0.709 604 T N 1.431 116.009 114.554 0.041 0.000 2.962 604 T HA -0.059 4.291 4.350 0.000 0.000 0.270 604 T C 1.874 176.607 174.700 0.055 0.000 1.088 604 T CA 1.087 63.212 62.100 0.041 0.000 1.127 604 T CB -0.086 68.810 68.868 0.047 0.000 0.883 604 T HN 0.180 nan 8.240 nan 0.000 0.493 605 A N 1.768 124.639 122.820 0.085 0.000 1.968 605 A HA -0.007 4.313 4.320 0.000 0.000 0.217 605 A C 2.246 179.889 177.584 0.098 0.000 1.169 605 A CA 1.041 53.137 52.037 0.097 0.000 0.638 605 A CB -0.343 18.734 19.000 0.129 0.000 0.812 605 A HN 0.404 nan 8.150 nan 0.000 0.446 606 K N -0.050 120.405 120.400 0.091 0.000 2.113 606 K HA -0.173 4.147 4.320 0.000 0.000 0.208 606 K C 1.198 177.825 176.600 0.045 0.000 1.047 606 K CA 1.689 58.018 56.287 0.071 0.000 0.928 606 K CB -0.153 32.292 32.500 -0.092 0.000 0.716 606 K HN 0.547 nan 8.250 nan 0.000 0.446 607 D N 0.579 120.996 120.400 0.027 0.000 2.278 607 D HA -0.050 4.590 4.640 0.000 0.000 0.228 607 D C 2.117 178.435 176.300 0.031 0.000 1.020 607 D CA 0.596 54.609 54.000 0.022 0.000 0.922 607 D CB -0.490 40.318 40.800 0.013 0.000 1.051 607 D HN 0.011 nan 8.370 nan 0.000 0.452 608 L N 0.580 121.823 121.223 0.034 0.000 2.058 608 L HA -0.213 4.127 4.340 0.000 0.000 0.226 608 L C 2.260 179.152 176.870 0.036 0.000 1.089 608 L CA 1.379 56.240 54.840 0.035 0.000 0.799 608 L CB -0.259 41.825 42.059 0.042 0.000 0.900 608 L HN -0.000 nan 8.230 nan 0.000 0.442 609 V N -1.717 118.223 119.914 0.042 0.000 3.398 609 V HA 0.325 4.445 4.120 0.000 0.000 0.298 609 V C 1.213 177.331 176.094 0.039 0.000 1.496 609 V CA 0.790 63.112 62.300 0.037 0.000 1.044 609 V CB 0.644 32.489 31.823 0.036 0.000 0.880 609 V HN 0.686 nan 8.190 nan 0.000 0.443 610 G N 0.367 109.200 108.800 0.055 0.000 2.396 610 G HA2 -0.235 3.725 3.960 0.000 0.000 0.242 610 G HA3 -0.235 3.725 3.960 0.000 0.000 0.242 610 G C 0.783 175.751 174.900 0.113 0.000 1.069 610 G CA 0.346 45.490 45.100 0.072 0.000 0.633 610 G HN 1.295 nan 8.290 nan 0.000 0.517 611 G N -0.612 108.221 108.800 0.056 0.000 2.522 611 G HA2 0.845 4.805 3.960 0.000 0.000 0.304 611 G HA3 0.845 4.805 3.960 0.000 0.000 0.304 611 G C -0.570 174.372 174.900 0.070 0.000 1.210 611 G CA -0.112 44.970 45.100 -0.030 0.000 0.960 611 G HN 1.704 nan 8.290 nan 0.000 0.497 612 Y N -3.021 117.186 120.300 -0.155 0.000 2.662 612 Y HA 0.618 5.168 4.550 0.000 0.000 0.334 612 Y C -1.544 174.258 175.900 -0.163 0.000 1.185 612 Y CA -2.094 55.938 58.100 -0.115 0.000 1.074 612 Y CB 0.642 39.094 38.460 -0.012 0.000 1.330 612 Y HN 0.441 nan 8.280 nan 0.000 0.458 613 F N 2.400 122.430 119.950 0.132 0.000 2.375 613 F HA 0.630 5.157 4.527 0.000 0.000 0.333 613 F C 0.154 176.048 175.800 0.158 0.000 1.104 613 F CA -0.534 57.501 58.000 0.057 0.000 1.149 613 F CB 1.212 40.236 39.000 0.040 0.000 1.190 613 F HN 0.390 nan 8.300 nan 0.000 0.533 614 I N 3.806 124.577 120.570 0.335 0.000 2.537 614 I HA 0.190 4.360 4.170 0.000 0.000 0.276 614 I C -1.169 175.122 176.117 0.289 0.000 1.063 614 I CA -0.587 60.894 61.300 0.301 0.000 1.144 614 I CB 1.029 39.186 38.000 0.263 0.000 1.252 614 I HN 0.156 nan 8.210 nan 0.000 0.480 615 V N 4.196 124.234 119.914 0.207 0.000 2.455 615 V HA 0.336 4.457 4.120 0.000 0.000 0.273 615 V C -0.060 176.127 176.094 0.156 0.000 1.045 615 V CA 0.041 62.419 62.300 0.130 0.000 0.976 615 V CB 0.857 32.713 31.823 0.055 0.000 0.993 615 V HN 0.623 nan 8.190 nan 0.000 0.475 616 D N 3.111 123.627 120.400 0.194 0.000 2.688 616 D HA 0.115 4.756 4.640 0.000 0.000 0.210 616 D C 0.631 177.049 176.300 0.195 0.000 1.333 616 D CA -0.130 53.979 54.000 0.183 0.000 0.920 616 D CB 2.352 43.264 40.800 0.186 0.000 1.554 616 D HN 0.608 nan 8.370 nan 0.000 0.579 617 T N 0.006 114.624 114.554 0.106 0.000 3.169 617 T HA 0.114 4.464 4.350 0.000 0.000 0.250 617 T C 0.433 175.175 174.700 0.070 0.000 1.111 617 T CA -0.223 61.923 62.100 0.077 0.000 1.010 617 T CB 0.123 69.014 68.868 0.038 0.000 0.984 617 T HN 0.201 nan 8.240 nan 0.000 0.537 618 D N 1.507 121.954 120.400 0.078 0.000 2.427 618 D HA 0.369 5.009 4.640 0.000 0.000 0.226 618 D C -1.817 174.513 176.300 0.050 0.000 1.076 618 D CA -2.681 51.349 54.000 0.051 0.000 0.849 618 D CB 1.835 42.658 40.800 0.039 0.000 1.052 618 D HN -0.145 nan 8.370 nan 0.000 0.515 619 P HA -0.263 nan 4.420 nan 0.000 0.217 619 P C 1.200 178.510 177.300 0.016 0.000 1.162 619 P CA 1.512 64.636 63.100 0.040 0.000 0.901 619 P CB 0.247 31.966 31.700 0.031 0.000 0.793 620 K N -0.639 119.770 120.400 0.016 0.000 2.009 620 K HA -0.133 4.187 4.320 0.000 0.000 0.210 620 K C 2.357 178.960 176.600 0.006 0.000 1.049 620 K CA 1.674 57.968 56.287 0.010 0.000 0.929 620 K CB -1.432 31.075 32.500 0.011 0.000 0.714 620 K HN 0.128 nan 8.250 nan 0.000 0.440 621 S N 0.630 116.337 115.700 0.011 0.000 2.368 621 S HA -0.138 4.332 4.470 0.000 0.000 0.225 621 S C 2.064 176.661 174.600 -0.006 0.000 1.030 621 S CA 1.403 59.611 58.200 0.014 0.000 0.999 621 S CB -0.187 63.030 63.200 0.028 0.000 0.844 621 S HN 0.361 nan 8.310 nan 0.000 0.459 622 A N 1.021 123.813 122.820 -0.047 0.000 1.865 622 A HA 0.070 4.390 4.320 0.000 0.000 0.217 622 A C 2.423 179.913 177.584 -0.157 0.000 1.191 622 A CA 1.972 53.893 52.037 -0.193 0.000 0.623 622 A CB -1.831 16.892 19.000 -0.462 0.000 0.826 622 A HN 0.652 nan 8.150 nan 0.000 0.444 623 G N -0.232 108.520 108.800 -0.080 0.000 2.469 623 G HA2 -0.310 3.650 3.960 0.000 0.000 0.219 623 G HA3 -0.310 3.650 3.960 0.000 0.000 0.219 623 G C 1.125 176.047 174.900 0.038 0.000 1.150 623 G CA 1.419 46.514 45.100 -0.007 0.000 0.763 623 G HN 0.480 nan 8.290 nan 0.000 0.561 624 D N 0.507 120.926 120.400 0.031 0.000 2.144 624 D HA -0.030 4.611 4.640 0.000 0.000 0.200 624 D C 2.538 178.894 176.300 0.092 0.000 0.978 624 D CA 0.833 54.875 54.000 0.070 0.000 0.833 624 D CB -0.123 40.704 40.800 0.045 0.000 0.961 624 D HN 0.337 nan 8.370 nan 0.000 0.470 625 K N 0.115 120.547 120.400 0.054 0.000 2.103 625 K HA 0.010 4.330 4.320 0.000 0.000 0.204 625 K C 2.278 178.919 176.600 0.067 0.000 1.052 625 K CA 0.378 56.705 56.287 0.066 0.000 0.945 625 K CB 0.011 32.549 32.500 0.063 0.000 0.722 625 K HN 0.155 nan 8.250 nan 0.000 0.443 626 L N -0.191 121.054 121.223 0.036 0.000 1.976 626 L HA -0.209 4.131 4.340 0.000 0.000 0.209 626 L C 2.512 179.418 176.870 0.060 0.000 1.071 626 L CA 1.471 56.325 54.840 0.022 0.000 0.746 626 L CB -0.560 41.489 42.059 -0.016 0.000 0.890 626 L HN 0.144 nan 8.230 nan 0.000 0.432 627 Y N 0.465 120.754 120.300 -0.018 0.000 2.256 627 Y HA -0.306 4.244 4.550 0.000 0.000 0.288 627 Y C 2.458 178.361 175.900 0.004 0.000 1.155 627 Y CA 1.345 59.439 58.100 -0.009 0.000 1.203 627 Y CB -0.093 38.366 38.460 -0.003 0.000 0.980 627 Y HN 0.165 nan 8.280 nan 0.000 0.530 628 A N 0.159 123.029 122.820 0.084 0.000 1.902 628 A HA -0.144 4.177 4.320 0.000 0.000 0.217 628 A C 2.370 179.941 177.584 -0.022 0.000 1.181 628 A CA 1.735 53.788 52.037 0.027 0.000 0.623 628 A CB -1.372 17.671 19.000 0.072 0.000 0.818 628 A HN 0.565 nan 8.150 nan 0.000 0.443 629 A N -0.135 122.693 122.820 0.013 0.000 1.898 629 A HA -0.028 4.292 4.320 0.000 0.000 0.216 629 A C 2.107 179.664 177.584 -0.045 0.000 1.181 629 A CA 1.378 53.437 52.037 0.037 0.000 0.620 629 A CB -0.562 18.488 19.000 0.084 0.000 0.819 629 A HN 0.485 nan 8.150 nan 0.000 0.442 630 I N -0.954 119.543 120.570 -0.121 0.000 2.226 630 I HA -0.283 3.887 4.170 0.000 0.000 0.245 630 I C 2.775 178.761 176.117 -0.219 0.000 1.100 630 I CA 1.664 62.856 61.300 -0.180 0.000 1.374 630 I CB -0.243 37.605 38.000 -0.254 0.000 1.057 630 I HN 0.325 nan 8.210 nan 0.000 0.413 631 Q N 0.554 120.172 119.800 -0.303 0.000 2.119 631 Q HA -0.214 4.126 4.340 0.000 0.000 0.201 631 Q C 2.096 178.025 176.000 -0.117 0.000 0.972 631 Q CA 1.430 57.084 55.803 -0.248 0.000 0.847 631 Q CB -0.187 28.393 28.738 -0.263 0.000 0.903 631 Q HN 0.286 nan 8.270 nan 0.000 0.433 632 E N -0.121 120.032 120.200 -0.078 0.000 2.072 632 E HA -0.170 4.180 4.350 0.000 0.000 0.191 632 E C 1.752 178.335 176.600 -0.027 0.000 0.985 632 E CA 0.862 57.242 56.400 -0.033 0.000 0.801 632 E CB 0.114 29.813 29.700 -0.002 0.000 0.750 632 E HN 0.151 nan 8.360 nan 0.000 0.452 633 R N 0.520 121.000 120.500 -0.033 0.000 2.096 633 R HA -0.038 4.303 4.340 0.000 0.000 0.235 633 R C 2.321 178.600 176.300 -0.035 0.000 1.127 633 R CA 0.641 56.726 56.100 -0.025 0.000 0.968 633 R CB -0.581 29.700 30.300 -0.032 0.000 0.861 633 R HN 0.119 nan 8.270 nan 0.000 0.440 634 R N 0.511 120.977 120.500 -0.057 0.000 2.094 634 R HA -0.094 4.246 4.340 0.000 0.000 0.239 634 R C 2.145 178.425 176.300 -0.034 0.000 1.137 634 R CA 1.663 57.732 56.100 -0.052 0.000 0.943 634 R CB -0.953 29.303 30.300 -0.074 0.000 0.850 634 R HN 0.245 nan 8.270 nan 0.000 0.433 635 A N 0.374 123.174 122.820 -0.033 0.000 1.903 635 A HA -0.167 4.153 4.320 0.000 0.000 0.219 635 A C 2.247 179.822 177.584 -0.015 0.000 1.191 635 A CA 2.111 54.136 52.037 -0.021 0.000 0.638 635 A CB -1.240 17.749 19.000 -0.019 0.000 0.823 635 A HN 0.489 nan 8.150 nan 0.000 0.451 636 G N -1.510 107.282 108.800 -0.014 0.000 2.740 636 G HA2 0.298 4.258 3.960 0.000 0.000 0.208 636 G HA3 0.298 4.258 3.960 0.000 0.000 0.208 636 G C 0.429 175.324 174.900 -0.009 0.000 1.148 636 G CA 0.476 45.571 45.100 -0.009 0.000 0.795 636 G HN 0.406 nan 8.290 nan 0.000 0.526 637 L N 0.000 121.216 121.223 -0.011 0.000 2.949 637 L HA 0.000 4.340 4.340 0.000 0.000 0.249 637 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 637 L CB 0.000 42.052 42.059 -0.012 0.000 0.961 637 L HN 0.000 nan 8.230 nan 0.000 0.502