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 3eh2_1_C DATA FIRST_RESID 4 DATA SEQUENCE QVIEDDRNNR GTEPFVTGVR GQVPPLVTTN FLVKDQGNAS PRYIRCTSYN DATA SEQUENCE IPCTSDMAKQ AQVPLAAVIK PLARLPPEEA SPYVVDHGES GPLRCNRCKA DATA SEQUENCE YMCPFMQFIE GGRRFQCCFC SCINDVPPQY FQHLDHTGKR VDAYDRPELS DATA SEQUENCE LGSYEFLATV DYCKNNKFPS PPAFIFMIDV SYNAIRTGLV RLLCEELKSL DATA SEQUENCE LDFLPREGGA EESAIRVGFV TYNKVLHFYN VKSSLAQPQM MVVSDVADMF DATA SEQUENCE VPLLDGFLVN VNESRAVITS LLDQIPEMFX XXXXTETVFV PVIQAGMEAL DATA SEQUENCE KAAECAGKLF LFHTSLPIAE APGKLKNRDD RKLINTDKEK TLFQPQTGAY DATA SEQUENCE QTLAKECVAQ GCCVDLFLFP NQYVDVATLS VVPQLTGGSV YKYASFQVEN DATA SEQUENCE DQERFLSDLR RDVQKVVGFD AVMRVRTSTG IRAVDFFGAF YMSNTTDVEL DATA SEQUENCE AGLDGDKTVT VEFKHDDRLN EESGALLQCA LLYTSCAGQR RLRIHNLALN DATA SEQUENCE CCTQLADLYR NCETDTLINY MAKFAYRGVL NSPVKAVRDT LITQCAQILA DATA SEQUENCE CYRKNCXXXX XXGQLILPEC MKLLPVYLNC VLKSDVLQPG AEVTTDDRAY DATA SEQUENCE VRQLVTSMDV TETNVFFYPR LLPLTXXXXE STTEPPAVRA SEERLSNGDI DATA SEQUENCE YLLENGLNLF LWVGASVQQG VVXXXXXXXX XXQITSGLSV LPVLDNPLSK DATA SEQUENCE KVRGLIDSLR AQRSRYMKLT VVKQEDKMEM LFKHFLVEDK SLSGGASYVD DATA SEQUENCE FLCHMHKEIR QLLS 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.999 176.000 -0.002 0.000 1.003 4 Q CA 0.000 55.764 55.803 -0.065 0.000 1.022 4 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 5 V N 1.810 121.723 119.914 -0.001 0.000 3.461 5 V HA -0.063 4.059 4.120 0.004 0.000 0.267 5 V C 2.205 178.301 176.094 0.004 0.000 1.186 5 V CA 0.665 62.971 62.300 0.011 0.000 1.154 5 V CB -0.271 31.558 31.823 0.011 0.000 0.802 5 V HN 0.327 nan 8.190 nan 0.000 0.474 6 I N 0.491 121.055 120.570 -0.010 0.000 2.286 6 I HA -0.187 3.986 4.170 0.004 0.000 0.248 6 I C 2.446 178.564 176.117 0.002 0.000 1.115 6 I CA 1.588 62.882 61.300 -0.011 0.000 1.392 6 I CB -0.819 37.167 38.000 -0.023 0.000 1.065 6 I HN 0.465 nan 8.210 nan 0.000 0.418 7 E N 0.438 120.646 120.200 0.014 0.000 2.051 7 E HA -0.219 4.134 4.350 0.004 0.000 0.192 7 E C 1.790 178.406 176.600 0.027 0.000 0.991 7 E CA 1.164 57.581 56.400 0.028 0.000 0.799 7 E CB -0.031 29.697 29.700 0.048 0.000 0.748 7 E HN 0.435 nan 8.360 nan 0.000 0.449 8 D N 0.875 121.292 120.400 0.028 0.000 2.092 8 D HA -0.155 4.488 4.640 0.004 0.000 0.193 8 D C 1.624 177.934 176.300 0.018 0.000 0.994 8 D CA 1.121 55.137 54.000 0.027 0.000 0.828 8 D CB -0.316 40.500 40.800 0.027 0.000 0.963 8 D HN 0.048 nan 8.370 nan 0.000 0.450 9 D N -0.008 120.398 120.400 0.011 0.000 2.103 9 D HA -0.174 4.469 4.640 0.004 0.000 0.190 9 D C 2.080 178.379 176.300 -0.002 0.000 0.997 9 D CA 1.039 55.041 54.000 0.004 0.000 0.833 9 D CB -0.134 40.665 40.800 -0.002 0.000 0.961 9 D HN -0.044 nan 8.370 nan 0.000 0.447 10 R N 0.766 121.261 120.500 -0.007 0.000 2.105 10 R HA -0.072 4.270 4.340 0.004 0.000 0.239 10 R C 1.629 177.926 176.300 -0.004 0.000 1.135 10 R CA 1.267 57.354 56.100 -0.021 0.000 0.967 10 R CB -0.685 29.594 30.300 -0.034 0.000 0.861 10 R HN 0.132 nan 8.270 nan 0.000 0.442 11 N N 0.366 119.075 118.700 0.016 0.000 2.043 11 N HA -0.120 4.622 4.740 0.004 0.000 0.193 11 N C 1.261 176.788 175.510 0.028 0.000 1.037 11 N CA 1.736 54.806 53.050 0.033 0.000 0.851 11 N CB -0.375 38.134 38.487 0.037 0.000 1.027 11 N HN 0.296 nan 8.380 nan 0.000 0.422 12 N N 0.495 119.207 118.700 0.020 0.000 2.142 12 N HA -0.044 4.698 4.740 0.004 0.000 0.186 12 N C 1.217 176.735 175.510 0.014 0.000 1.023 12 N CA 0.777 53.838 53.050 0.018 0.000 0.852 12 N CB -0.074 38.423 38.487 0.016 0.000 0.998 12 N HN 0.297 nan 8.380 nan 0.000 0.424 13 R N -0.078 120.425 120.500 0.005 0.000 2.313 13 R HA 0.136 4.478 4.340 0.004 0.000 0.199 13 R C 0.615 176.911 176.300 -0.006 0.000 0.958 13 R CA 0.243 56.342 56.100 -0.002 0.000 1.047 13 R CB 0.357 30.650 30.300 -0.010 0.000 0.955 13 R HN 0.025 nan 8.270 nan 0.000 0.481 14 G N -0.116 108.684 108.800 -0.001 0.000 3.582 14 G HA2 0.108 4.070 3.960 0.004 0.000 0.302 14 G HA3 0.108 4.070 3.960 0.004 0.000 0.302 14 G C -0.262 174.665 174.900 0.045 0.000 1.418 14 G CA -0.364 44.734 45.100 -0.003 0.000 0.718 14 G HN -0.039 nan 8.290 nan 0.000 0.479 15 T N 0.558 115.148 114.554 0.061 0.000 3.266 15 T HA 0.290 4.643 4.350 0.004 0.000 0.278 15 T C 0.589 175.347 174.700 0.096 0.000 1.010 15 T CA -0.030 62.123 62.100 0.089 0.000 0.909 15 T CB 0.489 69.394 68.868 0.062 0.000 1.122 15 T HN 0.517 nan 8.240 nan 0.000 0.536 16 E N 2.020 122.280 120.200 0.100 0.000 2.390 16 E HA 0.419 4.771 4.350 0.004 0.000 0.249 16 E C -2.511 174.181 176.600 0.154 0.000 0.981 16 E CA -2.480 53.981 56.400 0.101 0.000 0.860 16 E CB 0.825 30.566 29.700 0.069 0.000 1.278 16 E HN 0.068 nan 8.360 nan 0.000 0.416 17 P HA 0.089 nan 4.420 nan 0.000 0.278 17 P C -1.224 176.212 177.300 0.226 0.000 1.238 17 P CA -0.087 63.124 63.100 0.186 0.000 0.794 17 P CB 0.453 32.224 31.700 0.118 0.000 0.955 18 F N 3.414 123.427 119.950 0.104 0.000 2.332 18 F HA 0.281 4.811 4.527 0.004 0.000 0.368 18 F C -0.724 175.114 175.800 0.064 0.000 1.110 18 F CA -1.071 56.949 58.000 0.033 0.000 1.087 18 F CB 0.632 39.627 39.000 -0.009 0.000 1.235 18 F HN -0.040 nan 8.300 nan 0.000 0.470 19 V N 5.163 124.879 119.914 -0.329 0.000 2.406 19 V HA 0.165 4.287 4.120 0.004 0.000 0.272 19 V C 0.762 176.538 176.094 -0.530 0.000 1.043 19 V CA -0.254 61.874 62.300 -0.287 0.000 0.915 19 V CB 1.023 32.760 31.823 -0.144 0.000 0.988 19 V HN 0.800 nan 8.190 nan 0.000 0.466 20 T N 0.809 115.141 114.554 -0.370 0.000 3.467 20 T HA 0.186 4.539 4.350 0.004 0.000 0.232 20 T C 1.295 175.932 174.700 -0.105 0.000 0.876 20 T CA 0.257 62.178 62.100 -0.298 0.000 0.939 20 T CB 0.071 68.894 68.868 -0.076 0.000 1.165 20 T HN 0.735 nan 8.240 nan 0.000 0.615 21 G N 0.664 109.394 108.800 -0.116 0.000 2.656 21 G HA2 0.255 4.218 3.960 0.004 0.000 0.211 21 G HA3 0.255 4.218 3.960 0.004 0.000 0.211 21 G C 0.360 175.260 174.900 0.000 0.000 1.137 21 G CA -0.183 44.899 45.100 -0.030 0.000 0.802 21 G HN 0.555 nan 8.290 nan 0.000 0.527 22 V N 1.498 121.389 119.914 -0.038 0.000 2.614 22 V HA 0.167 4.290 4.120 0.004 0.000 0.291 22 V C 1.724 177.847 176.094 0.049 0.000 1.049 22 V CA -0.433 61.868 62.300 0.001 0.000 1.038 22 V CB 1.414 33.222 31.823 -0.025 0.000 0.980 22 V HN 0.417 nan 8.190 nan 0.000 0.481 23 R N 3.652 124.197 120.500 0.075 0.000 2.235 23 R HA -0.146 4.196 4.340 0.004 0.000 0.222 23 R C 1.220 177.576 176.300 0.093 0.000 1.095 23 R CA 2.021 58.176 56.100 0.091 0.000 0.863 23 R CB -0.554 29.782 30.300 0.060 0.000 0.824 23 R HN 0.875 nan 8.270 nan 0.000 0.432 24 G N 1.120 109.973 108.800 0.088 0.000 4.232 24 G HA2 0.136 4.098 3.960 0.004 0.000 0.304 24 G HA3 0.136 4.098 3.960 0.004 0.000 0.304 24 G C -0.919 174.051 174.900 0.116 0.000 1.295 24 G CA -0.393 44.799 45.100 0.153 0.000 1.398 24 G HN 0.379 nan 8.290 nan 0.000 0.571 25 Q N 0.913 120.760 119.800 0.080 0.000 2.314 25 Q HA 0.278 4.620 4.340 0.004 0.000 0.257 25 Q C -0.109 175.762 176.000 -0.215 0.000 0.975 25 Q CA -0.403 55.409 55.803 0.015 0.000 0.933 25 Q CB 1.814 30.604 28.738 0.086 0.000 1.195 25 Q HN 0.218 nan 8.270 nan 0.000 0.426 26 V N 7.755 127.426 119.914 -0.405 0.000 2.446 26 V HA 0.108 4.230 4.120 0.004 0.000 0.276 26 V C -1.515 174.265 176.094 -0.523 0.000 1.030 26 V CA -0.911 60.922 62.300 -0.779 0.000 1.033 26 V CB 0.142 31.701 31.823 -0.440 0.000 0.993 26 V HN 0.755 nan 8.190 nan 0.000 0.477 27 P HA 0.370 nan 4.420 nan 0.000 0.277 27 P C -2.685 174.145 177.300 -0.784 0.000 1.276 27 P CA -1.494 60.956 63.100 -1.084 0.000 0.788 27 P CB 0.183 31.311 31.700 -0.954 0.000 1.114 28 P HA 0.208 nan 4.420 nan 0.000 0.277 28 P C -0.057 177.045 177.300 -0.331 0.000 1.276 28 P CA -0.298 62.425 63.100 -0.628 0.000 0.788 28 P CB 0.215 31.391 31.700 -0.873 0.000 1.114 29 L N -0.115 121.016 121.223 -0.153 0.000 2.472 29 L HA 0.053 4.395 4.340 0.004 0.000 0.260 29 L C 1.780 178.685 176.870 0.060 0.000 1.209 29 L CA -0.357 54.458 54.840 -0.043 0.000 0.817 29 L CB 0.163 42.212 42.059 -0.017 0.000 1.106 29 L HN 0.210 nan 8.230 nan 0.000 0.479 30 V N -2.918 117.027 119.914 0.052 0.000 3.217 30 V HA -0.112 4.010 4.120 0.004 0.000 0.264 30 V C 1.841 177.976 176.094 0.068 0.000 1.135 30 V CA 1.341 63.687 62.300 0.077 0.000 1.142 30 V CB -0.981 30.861 31.823 0.032 0.000 0.754 30 V HN 1.040 nan 8.190 nan 0.000 0.484 31 T N -2.778 111.813 114.554 0.062 0.000 3.081 31 T HA 0.087 4.439 4.350 0.004 0.000 0.255 31 T C 0.884 175.628 174.700 0.074 0.000 1.113 31 T CA 0.717 62.852 62.100 0.059 0.000 1.082 31 T CB -0.502 68.398 68.868 0.054 0.000 0.939 31 T HN 0.515 nan 8.240 nan 0.000 0.506 32 T N 2.975 117.600 114.554 0.119 0.000 2.922 32 T HA 0.370 4.722 4.350 0.004 0.000 0.285 32 T C -0.286 174.540 174.700 0.209 0.000 1.005 32 T CA -0.632 61.567 62.100 0.165 0.000 1.061 32 T CB 0.868 69.843 68.868 0.179 0.000 1.007 32 T HN 0.343 nan 8.240 nan 0.000 0.502 33 N N 1.391 120.182 118.700 0.153 0.000 2.372 33 N HA 0.646 5.389 4.740 0.004 0.000 0.285 33 N C -1.169 174.407 175.510 0.110 0.000 1.008 33 N CA -0.616 52.433 53.050 -0.002 0.000 0.880 33 N CB 1.333 39.803 38.487 -0.027 0.000 1.239 33 N HN 0.566 nan 8.380 nan 0.000 0.484 34 F N -0.409 119.536 119.950 -0.007 0.000 2.711 34 F HA 0.584 5.113 4.527 0.004 0.000 0.313 34 F C -1.697 174.121 175.800 0.031 0.000 1.141 34 F CA -1.367 56.641 58.000 0.012 0.000 0.941 34 F CB 0.835 39.838 39.000 0.004 0.000 1.349 34 F HN 0.108 nan 8.300 nan 0.000 0.464 35 L N 2.556 123.925 121.223 0.243 0.000 2.287 35 L HA 0.731 5.074 4.340 0.004 0.000 0.287 35 L C -1.106 175.938 176.870 0.290 0.000 1.022 35 L CA -0.760 54.173 54.840 0.156 0.000 0.814 35 L CB 1.449 43.575 42.059 0.111 0.000 1.217 35 L HN 0.578 nan 8.230 nan 0.000 0.420 36 V N 5.492 125.550 119.914 0.239 0.000 2.432 36 V HA 0.392 4.515 4.120 0.004 0.000 0.275 36 V C 0.130 176.328 176.094 0.174 0.000 1.043 36 V CA -0.645 61.835 62.300 0.300 0.000 0.925 36 V CB 1.039 33.046 31.823 0.307 0.000 0.985 36 V HN 0.648 nan 8.190 nan 0.000 0.466 37 K N 3.731 124.211 120.400 0.133 0.000 2.389 37 K HA 0.229 4.551 4.320 0.004 0.000 0.261 37 K C 0.549 177.184 176.600 0.057 0.000 1.014 37 K CA -0.492 55.842 56.287 0.079 0.000 0.920 37 K CB 1.214 33.741 32.500 0.044 0.000 1.149 37 K HN 0.758 nan 8.250 nan 0.000 0.444 38 D N 2.342 122.798 120.400 0.094 0.000 2.248 38 D HA -0.282 4.360 4.640 0.004 0.000 0.245 38 D C 0.448 176.781 176.300 0.054 0.000 1.217 38 D CA 1.874 55.936 54.000 0.103 0.000 1.039 38 D CB 0.291 41.177 40.800 0.143 0.000 1.615 38 D HN 0.755 nan 8.370 nan 0.000 0.568 39 Q N -1.632 118.203 119.800 0.059 0.000 2.506 39 Q HA -0.233 4.109 4.340 0.004 0.000 0.268 39 Q C 0.507 176.523 176.000 0.027 0.000 1.002 39 Q CA 1.233 57.062 55.803 0.044 0.000 1.052 39 Q CB -1.465 27.285 28.738 0.021 0.000 1.383 39 Q HN 0.676 nan 8.270 nan 0.000 0.537 40 G N -1.399 107.425 108.800 0.040 0.000 3.465 40 G HA2 -0.152 3.810 3.960 0.004 0.000 0.196 40 G HA3 -0.152 3.810 3.960 0.004 0.000 0.196 40 G C -0.194 174.780 174.900 0.123 0.000 1.170 40 G CA -0.087 45.017 45.100 0.005 0.000 0.887 40 G HN 0.241 nan 8.290 nan 0.000 0.444 41 N N 1.105 119.909 118.700 0.173 0.000 2.404 41 N HA 0.643 5.385 4.740 0.004 0.000 0.297 41 N C 0.218 175.872 175.510 0.241 0.000 1.163 41 N CA 0.301 53.505 53.050 0.256 0.000 0.864 41 N CB 1.848 40.475 38.487 0.232 0.000 1.247 41 N HN 0.653 nan 8.380 nan 0.000 0.510 42 A N 0.798 123.782 122.820 0.272 0.000 2.511 42 A HA 0.122 4.444 4.320 0.004 0.000 0.242 42 A C 0.782 178.560 177.584 0.324 0.000 1.069 42 A CA 0.035 52.256 52.037 0.307 0.000 0.763 42 A CB 0.019 19.171 19.000 0.253 0.000 1.001 42 A HN 0.552 nan 8.150 nan 0.000 0.498 43 S N 2.846 118.781 115.700 0.392 0.000 2.568 43 S HA 0.238 4.710 4.470 0.004 0.000 0.282 43 S C -0.998 173.758 174.600 0.260 0.000 1.338 43 S CA -0.701 57.685 58.200 0.311 0.000 1.045 43 S CB 0.446 63.751 63.200 0.175 0.000 0.873 43 S HN 0.585 nan 8.310 nan 0.000 0.516 44 P HA -0.052 nan 4.420 nan 0.000 0.234 44 P C 0.659 178.021 177.300 0.103 0.000 1.167 44 P CA 0.741 63.966 63.100 0.209 0.000 0.763 44 P CB 0.053 31.859 31.700 0.176 0.000 0.835 45 R N -1.591 118.911 120.500 0.003 0.000 2.193 45 R HA -0.005 4.337 4.340 0.004 0.000 0.213 45 R C 2.026 178.232 176.300 -0.158 0.000 1.055 45 R CA 1.000 57.017 56.100 -0.140 0.000 0.995 45 R CB -0.385 29.733 30.300 -0.303 0.000 0.893 45 R HN 0.355 nan 8.270 nan 0.000 0.459 46 Y N -0.055 120.217 120.300 -0.047 0.000 2.353 46 Y HA 0.248 4.800 4.550 0.004 0.000 0.294 46 Y C 0.947 176.750 175.900 -0.161 0.000 1.135 46 Y CA -0.041 57.934 58.100 -0.209 0.000 1.176 46 Y CB 0.766 38.915 38.460 -0.519 0.000 1.124 46 Y HN -0.168 nan 8.280 nan 0.000 0.537 47 I N 0.351 120.981 120.570 0.101 0.000 2.569 47 I HA 0.407 4.579 4.170 0.004 0.000 0.290 47 I C -0.927 175.266 176.117 0.127 0.000 1.088 47 I CA -0.790 60.561 61.300 0.086 0.000 1.047 47 I CB 2.474 40.517 38.000 0.073 0.000 1.237 47 I HN -0.117 nan 8.210 nan 0.000 0.421 48 R N 3.825 124.385 120.500 0.101 0.000 2.575 48 R HA 0.718 5.060 4.340 0.004 0.000 0.293 48 R C -1.476 174.842 176.300 0.029 0.000 0.983 48 R CA -0.461 55.722 56.100 0.137 0.000 0.887 48 R CB 2.289 32.656 30.300 0.112 0.000 1.184 48 R HN 0.657 nan 8.270 nan 0.000 0.445 49 C N 0.591 119.836 119.300 -0.092 0.000 2.486 49 C HA 0.351 4.813 4.460 0.004 0.000 0.348 49 C C 2.065 176.906 174.990 -0.248 0.000 1.203 49 C CA -0.564 58.235 59.018 -0.364 0.000 1.911 49 C CB 1.805 29.034 27.740 -0.853 0.000 2.340 49 C HN 0.965 nan 8.230 nan 0.000 0.511 50 T N -1.703 112.715 114.554 -0.227 0.000 2.978 50 T HA 0.018 4.370 4.350 0.004 0.000 0.262 50 T C 0.634 175.257 174.700 -0.128 0.000 1.063 50 T CA 0.835 62.855 62.100 -0.135 0.000 1.140 50 T CB 0.012 68.781 68.868 -0.165 0.000 0.886 50 T HN 0.645 nan 8.240 nan 0.000 0.470 51 S N -0.669 114.884 115.700 -0.245 0.000 2.571 51 S HA 0.564 5.036 4.470 0.004 0.000 0.284 51 S C -0.929 173.476 174.600 -0.324 0.000 1.128 51 S CA -0.855 57.239 58.200 -0.176 0.000 0.970 51 S CB 1.187 64.290 63.200 -0.162 0.000 1.039 51 S HN 0.266 nan 8.310 nan 0.000 0.485 52 Y N 2.635 122.894 120.300 -0.067 0.000 2.442 52 Y HA 0.444 4.997 4.550 0.004 0.000 0.250 52 Y C 1.219 177.087 175.900 -0.054 0.000 1.113 52 Y CA -0.252 57.817 58.100 -0.053 0.000 1.273 52 Y CB 0.586 39.033 38.460 -0.023 0.000 1.138 52 Y HN 0.544 nan 8.280 nan 0.000 0.522 53 N N 1.338 120.070 118.700 0.053 0.000 2.841 53 N HA 0.153 4.895 4.740 0.004 0.000 0.257 53 N C -1.125 174.369 175.510 -0.026 0.000 1.396 53 N CA -0.091 52.969 53.050 0.017 0.000 0.823 53 N CB 0.116 38.624 38.487 0.034 0.000 1.162 53 N HN -0.069 nan 8.380 nan 0.000 0.503 54 I N 2.766 123.303 120.570 -0.054 0.000 2.710 54 I HA 0.116 4.288 4.170 0.004 0.000 0.286 54 I C -1.742 174.379 176.117 0.007 0.000 1.181 54 I CA -1.738 59.531 61.300 -0.050 0.000 1.430 54 I CB -0.134 37.808 38.000 -0.097 0.000 1.367 54 I HN 0.222 nan 8.210 nan 0.000 0.577 55 P HA 0.091 nan 4.420 nan 0.000 0.271 55 P C 0.471 177.850 177.300 0.132 0.000 1.216 55 P CA -0.193 62.930 63.100 0.038 0.000 0.776 55 P CB 0.810 32.499 31.700 -0.018 0.000 0.881 56 C N 1.517 120.857 119.300 0.067 0.000 2.435 56 C HA -0.019 4.443 4.460 0.004 0.000 0.279 56 C C 1.562 176.594 174.990 0.069 0.000 1.321 56 C CA 1.472 60.552 59.018 0.102 0.000 1.752 56 C CB -1.174 26.588 27.740 0.038 0.000 1.959 56 C HN 0.679 nan 8.230 nan 0.000 0.500 57 T N -2.980 111.480 114.554 -0.157 0.000 2.908 57 T HA 0.371 4.724 4.350 0.004 0.000 0.290 57 T C 0.771 175.076 174.700 -0.659 0.000 1.034 57 T CA 0.184 62.106 62.100 -0.297 0.000 1.010 57 T CB 1.614 70.402 68.868 -0.133 0.000 1.068 57 T HN 0.064 nan 8.240 nan 0.000 0.481 58 S N 0.964 116.331 115.700 -0.555 0.000 2.374 58 S HA -0.184 4.289 4.470 0.004 0.000 0.227 58 S C 1.401 175.866 174.600 -0.226 0.000 1.037 58 S CA 1.929 59.890 58.200 -0.397 0.000 1.024 58 S CB -0.864 62.274 63.200 -0.104 0.000 0.861 58 S HN 0.770 nan 8.310 nan 0.000 0.456 59 D N 0.945 121.252 120.400 -0.154 0.000 2.117 59 D HA -0.137 4.505 4.640 0.004 0.000 0.197 59 D C 1.929 178.177 176.300 -0.087 0.000 0.987 59 D CA 1.446 55.392 54.000 -0.089 0.000 0.829 59 D CB -0.394 40.370 40.800 -0.060 0.000 0.961 59 D HN 0.554 nan 8.370 nan 0.000 0.460 60 M N 0.850 120.380 119.600 -0.118 0.000 2.132 60 M HA -0.106 4.376 4.480 0.004 0.000 0.263 60 M C 2.155 178.404 176.300 -0.084 0.000 1.065 60 M CA 1.547 56.798 55.300 -0.082 0.000 1.122 60 M CB 0.087 32.637 32.600 -0.084 0.000 1.365 60 M HN -0.038 nan 8.290 nan 0.000 0.411 61 A N 0.972 123.701 122.820 -0.151 0.000 1.883 61 A HA -0.202 4.120 4.320 0.004 0.000 0.217 61 A C 2.100 179.650 177.584 -0.055 0.000 1.186 61 A CA 2.085 54.061 52.037 -0.102 0.000 0.624 61 A CB -0.722 18.210 19.000 -0.114 0.000 0.822 61 A HN 0.607 nan 8.150 nan 0.000 0.444 62 K N -0.785 119.582 120.400 -0.055 0.000 2.209 62 K HA -0.189 4.133 4.320 0.004 0.000 0.204 62 K C 2.344 178.941 176.600 -0.005 0.000 1.048 62 K CA 1.419 57.693 56.287 -0.022 0.000 0.940 62 K CB -0.123 32.365 32.500 -0.020 0.000 0.729 62 K HN 0.689 nan 8.250 nan 0.000 0.451 63 Q N 0.296 120.093 119.800 -0.005 0.000 2.046 63 Q HA -0.130 4.213 4.340 0.004 0.000 0.200 63 Q C 1.967 178.000 176.000 0.055 0.000 0.975 63 Q CA 1.513 57.329 55.803 0.021 0.000 0.836 63 Q CB -0.017 28.732 28.738 0.019 0.000 0.896 63 Q HN 0.333 nan 8.270 nan 0.000 0.428 64 A N -0.503 122.349 122.820 0.053 0.000 1.970 64 A HA -0.093 4.229 4.320 0.004 0.000 0.216 64 A C 0.917 178.543 177.584 0.069 0.000 1.170 64 A CA 0.952 53.050 52.037 0.102 0.000 0.645 64 A CB 0.168 19.167 19.000 -0.001 0.000 0.816 64 A HN 0.522 nan 8.150 nan 0.000 0.447 65 Q N -2.066 117.742 119.800 0.014 0.000 2.424 65 Q HA -0.140 4.203 4.340 0.004 0.000 0.234 65 Q C -0.302 175.685 176.000 -0.023 0.000 0.748 65 Q CA 0.948 56.754 55.803 0.005 0.000 1.286 65 Q CB -2.549 26.209 28.738 0.035 0.000 1.494 65 Q HN 0.436 nan 8.270 nan 0.000 0.683 66 V N 3.426 123.298 119.914 -0.071 0.000 2.427 66 V HA 0.192 4.315 4.120 0.004 0.000 0.268 66 V C -1.353 174.674 176.094 -0.111 0.000 1.046 66 V CA -0.706 61.527 62.300 -0.112 0.000 0.970 66 V CB 0.746 32.436 31.823 -0.223 0.000 1.001 66 V HN 0.033 nan 8.190 nan 0.000 0.476 67 P HA 0.200 nan 4.420 nan 0.000 0.276 67 P C -1.094 176.047 177.300 -0.265 0.000 1.235 67 P CA -0.384 62.603 63.100 -0.189 0.000 0.772 67 P CB 1.022 32.616 31.700 -0.177 0.000 0.871 68 L N 3.042 124.126 121.223 -0.232 0.000 2.255 68 L HA 0.646 4.988 4.340 0.004 0.000 0.289 68 L C 0.663 177.407 176.870 -0.210 0.000 1.046 68 L CA -0.412 54.315 54.840 -0.189 0.000 0.816 68 L CB -0.049 41.955 42.059 -0.093 0.000 1.197 68 L HN 0.498 nan 8.230 nan 0.000 0.427 69 A N 3.049 125.708 122.820 -0.268 0.000 2.587 69 A HA 0.946 5.268 4.320 0.004 0.000 0.293 69 A C -1.044 176.487 177.584 -0.088 0.000 1.087 69 A CA -0.444 51.440 52.037 -0.255 0.000 0.692 69 A CB 1.943 20.494 19.000 -0.748 0.000 1.291 69 A HN 0.711 nan 8.150 nan 0.000 0.407 70 A N 0.675 123.524 122.820 0.048 0.000 2.335 70 A HA 0.628 4.950 4.320 0.004 0.000 0.304 70 A C -0.883 176.740 177.584 0.064 0.000 1.118 70 A CA -0.419 51.660 52.037 0.069 0.000 0.757 70 A CB 0.973 20.094 19.000 0.202 0.000 1.188 70 A HN 1.302 nan 8.150 nan 0.000 0.460 71 V N 4.651 124.592 119.914 0.044 0.000 2.353 71 V HA 0.265 4.387 4.120 0.004 0.000 0.264 71 V C -0.071 176.068 176.094 0.075 0.000 1.049 71 V CA 0.205 62.544 62.300 0.064 0.000 0.896 71 V CB 0.045 31.895 31.823 0.044 0.000 1.025 71 V HN 0.684 nan 8.190 nan 0.000 0.475 72 I N 4.892 125.519 120.570 0.096 0.000 2.377 72 I HA 0.481 4.654 4.170 0.004 0.000 0.293 72 I C 0.239 176.409 176.117 0.089 0.000 0.987 72 I CA -0.495 60.859 61.300 0.089 0.000 1.185 72 I CB 1.680 39.745 38.000 0.110 0.000 1.341 72 I HN 0.457 nan 8.210 nan 0.000 0.455 73 K N 7.646 128.093 120.400 0.079 0.000 2.679 73 K HA 0.342 4.665 4.320 0.004 0.000 0.188 73 K C -2.148 174.536 176.600 0.140 0.000 1.055 73 K CA -1.601 54.741 56.287 0.093 0.000 1.006 73 K CB 1.208 33.753 32.500 0.074 0.000 1.317 73 K HN 0.196 nan 8.250 nan 0.000 0.584 74 P HA -0.211 nan 4.420 nan 0.000 0.219 74 P C 0.191 177.622 177.300 0.219 0.000 1.158 74 P CA 1.367 64.568 63.100 0.169 0.000 0.895 74 P CB 0.231 31.992 31.700 0.101 0.000 0.792 75 L N -2.518 118.787 121.223 0.137 0.000 3.108 75 L HA 0.397 4.739 4.340 0.004 0.000 0.251 75 L C 0.591 177.563 176.870 0.171 0.000 1.315 75 L CA -1.020 53.897 54.840 0.127 0.000 1.048 75 L CB -0.364 41.669 42.059 -0.043 0.000 1.432 75 L HN -0.131 nan 8.230 nan 0.000 0.543 76 A N 0.841 123.812 122.820 0.252 0.000 2.586 76 A HA 0.157 4.479 4.320 0.004 0.000 0.231 76 A C 0.483 178.098 177.584 0.053 0.000 1.055 76 A CA 0.222 52.315 52.037 0.093 0.000 0.756 76 A CB 0.117 19.094 19.000 -0.038 0.000 0.988 76 A HN 0.511 nan 8.150 nan 0.000 0.509 77 R N 1.168 121.671 120.500 0.005 0.000 2.298 77 R HA 0.409 4.752 4.340 0.004 0.000 0.310 77 R C -0.726 175.546 176.300 -0.046 0.000 1.068 77 R CA -0.140 55.961 56.100 0.002 0.000 0.957 77 R CB 0.439 30.742 30.300 0.006 0.000 1.003 77 R HN 0.625 nan 8.270 nan 0.000 0.454 78 L N 4.390 125.593 121.223 -0.033 0.000 2.360 78 L HA 0.464 4.806 4.340 0.004 0.000 0.271 78 L C -1.933 174.912 176.870 -0.042 0.000 1.057 78 L CA -2.369 52.433 54.840 -0.063 0.000 0.803 78 L CB 1.160 43.200 42.059 -0.032 0.000 1.207 78 L HN 0.287 nan 8.230 nan 0.000 0.445 79 P HA 0.164 nan 4.420 nan 0.000 0.271 79 P C -2.085 175.204 177.300 -0.020 0.000 1.218 79 P CA -1.081 61.991 63.100 -0.047 0.000 0.780 79 P CB 0.237 31.893 31.700 -0.073 0.000 0.901 80 P HA -0.248 nan 4.420 nan 0.000 0.218 80 P C 0.916 178.222 177.300 0.010 0.000 1.152 80 P CA 1.598 64.699 63.100 0.002 0.000 0.857 80 P CB 0.081 31.782 31.700 0.001 0.000 0.787 81 E N -0.526 119.678 120.200 0.007 0.000 2.152 81 E HA -0.082 4.270 4.350 0.004 0.000 0.192 81 E C 0.490 177.109 176.600 0.033 0.000 0.983 81 E CA 0.767 57.178 56.400 0.018 0.000 0.818 81 E CB -0.643 29.065 29.700 0.014 0.000 0.758 81 E HN 0.456 nan 8.360 nan 0.000 0.467 82 E N 0.728 120.944 120.200 0.026 0.000 2.180 82 E HA 0.370 4.722 4.350 0.004 0.000 0.283 82 E C -0.640 176.004 176.600 0.073 0.000 1.061 82 E CA -0.478 55.951 56.400 0.048 0.000 0.861 82 E CB 1.039 30.752 29.700 0.021 0.000 1.056 82 E HN 0.170 nan 8.360 nan 0.000 0.407 83 A N 3.434 126.323 122.820 0.114 0.000 2.540 83 A HA 0.066 4.388 4.320 0.004 0.000 0.239 83 A C 0.321 178.005 177.584 0.166 0.000 1.061 83 A CA -0.005 52.123 52.037 0.152 0.000 0.758 83 A CB 0.357 19.510 19.000 0.255 0.000 0.991 83 A HN 0.552 nan 8.150 nan 0.000 0.502 84 S N 2.400 118.158 115.700 0.097 0.000 2.632 84 S HA 0.435 4.908 4.470 0.004 0.000 0.267 84 S C -2.292 172.389 174.600 0.134 0.000 1.276 84 S CA -0.644 57.619 58.200 0.106 0.000 0.998 84 S CB 0.278 63.494 63.200 0.026 0.000 0.953 84 S HN 0.626 nan 8.310 nan 0.000 0.547 85 P HA 0.131 nan 4.420 nan 0.000 0.267 85 P C -1.076 176.295 177.300 0.117 0.000 1.205 85 P CA 0.110 63.316 63.100 0.176 0.000 0.765 85 P CB 0.099 31.829 31.700 0.051 0.000 0.828 86 Y N 1.257 121.580 120.300 0.037 0.000 2.346 86 Y HA 0.174 4.726 4.550 0.004 0.000 0.330 86 Y C 0.792 176.677 175.900 -0.025 0.000 1.178 86 Y CA -0.311 57.798 58.100 0.014 0.000 1.331 86 Y CB 0.496 38.963 38.460 0.011 0.000 1.253 86 Y HN 0.069 nan 8.280 nan 0.000 0.529 87 V N 5.287 125.243 119.914 0.070 0.000 2.368 87 V HA 0.216 4.338 4.120 0.004 0.000 0.266 87 V C -0.104 176.013 176.094 0.038 0.000 1.045 87 V CA -0.713 61.598 62.300 0.019 0.000 0.899 87 V CB 0.429 32.255 31.823 0.006 0.000 1.006 87 V HN 0.492 nan 8.190 nan 0.000 0.470 88 V N 3.906 123.809 119.914 -0.017 0.000 2.617 88 V HA 0.439 4.561 4.120 0.004 0.000 0.298 88 V C -0.231 175.961 176.094 0.163 0.000 1.048 88 V CA -0.469 61.864 62.300 0.054 0.000 0.964 88 V CB 2.001 33.787 31.823 -0.061 0.000 1.004 88 V HN 0.894 nan 8.190 nan 0.000 0.466 89 D N 0.887 121.415 120.400 0.214 0.000 2.481 89 D HA 0.352 4.994 4.640 0.004 0.000 0.246 89 D C 0.037 176.547 176.300 0.349 0.000 1.109 89 D CA -0.368 53.761 54.000 0.215 0.000 0.845 89 D CB 1.045 41.927 40.800 0.138 0.000 1.160 89 D HN 0.512 nan 8.370 nan 0.000 0.534 90 H N 2.424 121.565 119.070 0.119 0.000 2.529 90 H HA 0.405 4.963 4.556 0.004 0.000 0.277 90 H C 1.306 176.663 175.328 0.048 0.000 1.004 90 H CA 0.511 56.597 56.048 0.064 0.000 1.167 90 H CB 0.145 29.876 29.762 -0.051 0.000 1.445 90 H HN 0.688 nan 8.280 nan 0.000 0.554 91 G N 0.748 109.649 108.800 0.169 0.000 2.598 91 G HA2 -0.338 3.624 3.960 0.004 0.000 0.244 91 G HA3 -0.338 3.624 3.960 0.004 0.000 0.244 91 G C 1.169 176.131 174.900 0.103 0.000 1.302 91 G CA 0.208 45.376 45.100 0.114 0.000 0.903 91 G HN 0.395 nan 8.290 nan 0.000 0.575 92 E N 0.140 120.393 120.200 0.087 0.000 2.065 92 E HA -0.235 4.117 4.350 0.004 0.000 0.201 92 E C 2.923 179.570 176.600 0.078 0.000 1.016 92 E CA 2.505 58.955 56.400 0.083 0.000 0.818 92 E CB -0.322 29.417 29.700 0.065 0.000 0.749 92 E HN 0.813 nan 8.360 nan 0.000 0.453 93 S N 0.179 115.919 115.700 0.066 0.000 2.440 93 S HA -0.037 4.435 4.470 0.004 0.000 0.238 93 S C 1.205 175.848 174.600 0.073 0.000 1.010 93 S CA 0.464 58.697 58.200 0.055 0.000 0.972 93 S CB -0.681 62.539 63.200 0.033 0.000 0.774 93 S HN 0.528 nan 8.310 nan 0.000 0.501 94 G N 1.690 110.543 108.800 0.087 0.000 2.829 94 G HA2 -0.116 3.847 3.960 0.004 0.000 0.628 94 G HA3 -0.116 3.847 3.960 0.004 0.000 0.628 94 G C -2.995 171.915 174.900 0.015 0.000 1.412 94 G CA -0.617 44.526 45.100 0.072 0.000 0.864 94 G HN 0.393 nan 8.290 nan 0.000 0.544 95 P HA 0.247 nan 4.420 nan 0.000 0.261 95 P C 0.262 177.469 177.300 -0.156 0.000 1.183 95 P CA -0.160 62.660 63.100 -0.467 0.000 0.761 95 P CB 0.808 31.896 31.700 -1.020 0.000 0.785 96 L N 5.681 126.916 121.223 0.019 0.000 2.477 96 L HA 0.103 4.445 4.340 0.004 0.000 0.272 96 L C 0.431 177.272 176.870 -0.047 0.000 1.157 96 L CA 0.831 55.654 54.840 -0.028 0.000 0.889 96 L CB -0.388 41.576 42.059 -0.159 0.000 1.158 96 L HN 0.365 nan 8.230 nan 0.000 0.473 97 R N 3.410 123.894 120.500 -0.027 0.000 2.867 97 R HA 0.445 4.788 4.340 0.004 0.000 0.268 97 R C -1.113 175.233 176.300 0.077 0.000 1.014 97 R CA -0.896 55.167 56.100 -0.060 0.000 0.946 97 R CB 1.205 31.331 30.300 -0.289 0.000 1.208 97 R HN 0.724 nan 8.270 nan 0.000 0.477 98 C N 2.381 121.738 119.300 0.095 0.000 2.634 98 C HA -0.019 4.443 4.460 0.004 0.000 0.418 98 C C 1.631 176.612 174.990 -0.014 0.000 1.373 98 C CA -0.134 58.944 59.018 0.100 0.000 1.756 98 C CB -0.933 26.868 27.740 0.102 0.000 2.589 98 C HN 1.026 nan 8.230 nan 0.000 0.602 99 N N 3.972 122.646 118.700 -0.044 0.000 2.364 99 N HA -0.130 4.612 4.740 0.004 0.000 0.183 99 N C 1.741 177.216 175.510 -0.059 0.000 1.022 99 N CA 1.463 54.478 53.050 -0.059 0.000 0.883 99 N CB -0.167 38.278 38.487 -0.071 0.000 0.965 99 N HN 0.835 nan 8.380 nan 0.000 0.438 100 R N -0.216 120.254 120.500 -0.050 0.000 2.064 100 R HA 0.109 4.452 4.340 0.004 0.000 0.210 100 R C 1.723 177.998 176.300 -0.042 0.000 1.221 100 R CA 1.004 57.078 56.100 -0.043 0.000 1.055 100 R CB -0.672 29.608 30.300 -0.032 0.000 0.946 100 R HN 0.459 nan 8.270 nan 0.000 0.459 101 C N 1.552 120.835 119.300 -0.028 0.000 2.562 101 C HA 0.328 4.790 4.460 0.004 0.000 0.266 101 C C 0.527 175.462 174.990 -0.092 0.000 1.382 101 C CA -0.236 58.758 59.018 -0.039 0.000 1.742 101 C CB -0.382 27.357 27.740 -0.001 0.000 1.812 101 C HN 0.515 nan 8.230 nan 0.000 0.559 102 K N -0.206 120.132 120.400 -0.103 0.000 3.209 102 K HA -0.192 4.131 4.320 0.004 0.000 0.289 102 K C 0.433 176.864 176.600 -0.283 0.000 1.191 102 K CA 0.871 57.049 56.287 -0.182 0.000 0.851 102 K CB -2.297 30.093 32.500 -0.183 0.000 1.242 102 K HN 0.910 nan 8.250 nan 0.000 0.480 103 A N 0.628 123.324 122.820 -0.206 0.000 2.462 103 A HA 0.346 4.668 4.320 0.004 0.000 0.243 103 A C -0.002 177.491 177.584 -0.151 0.000 1.076 103 A CA -0.063 51.824 52.037 -0.250 0.000 0.773 103 A CB -0.004 18.818 19.000 -0.297 0.000 1.010 103 A HN 0.201 nan 8.150 nan 0.000 0.493 104 Y N 1.163 121.492 120.300 0.048 0.000 2.411 104 Y HA 0.250 4.803 4.550 0.004 0.000 0.333 104 Y C 0.908 176.938 175.900 0.216 0.000 1.186 104 Y CA 0.103 58.286 58.100 0.139 0.000 1.381 104 Y CB 0.560 39.175 38.460 0.257 0.000 1.273 104 Y HN 0.746 nan 8.280 nan 0.000 0.546 105 M N 5.042 124.810 119.600 0.280 0.000 2.240 105 M HA 0.195 4.677 4.480 0.004 0.000 0.346 105 M C -0.428 176.080 176.300 0.346 0.000 1.236 105 M CA -0.172 55.226 55.300 0.164 0.000 0.986 105 M CB -0.683 31.969 32.600 0.087 0.000 1.786 105 M HN 0.792 nan 8.290 nan 0.000 0.457 106 C N 3.857 123.321 119.300 0.272 0.000 3.314 106 C HA 0.680 5.142 4.460 0.004 0.000 0.344 106 C C -2.200 172.880 174.990 0.149 0.000 1.461 106 C CA -1.040 58.184 59.018 0.344 0.000 1.249 106 C CB 0.833 28.898 27.740 0.542 0.000 1.632 106 C HN 0.722 nan 8.230 nan 0.000 0.452 107 P HA 0.033 nan 4.420 nan 0.000 0.225 107 P C 0.749 177.801 177.300 -0.412 0.000 1.148 107 P CA 1.314 64.244 63.100 -0.283 0.000 0.779 107 P CB -0.143 31.262 31.700 -0.491 0.000 0.780 108 F N -2.765 117.246 119.950 0.102 0.000 2.776 108 F HA 0.147 4.676 4.527 0.004 0.000 0.300 108 F C 1.269 177.091 175.800 0.036 0.000 1.116 108 F CA 0.150 58.175 58.000 0.041 0.000 1.375 108 F CB -0.600 38.382 39.000 -0.030 0.000 1.109 108 F HN -0.168 nan 8.300 nan 0.000 0.585 109 M N 1.440 121.137 119.600 0.162 0.000 2.217 109 M HA 0.080 4.562 4.480 0.004 0.000 0.352 109 M C 0.229 176.565 176.300 0.060 0.000 1.376 109 M CA 0.333 55.680 55.300 0.078 0.000 1.107 109 M CB 0.199 32.705 32.600 -0.158 0.000 1.723 109 M HN 0.007 nan 8.290 nan 0.000 0.461 110 Q N 3.074 122.930 119.800 0.093 0.000 2.337 110 Q HA 0.331 4.673 4.340 0.004 0.000 0.255 110 Q C -1.269 174.801 176.000 0.117 0.000 0.997 110 Q CA -0.120 55.759 55.803 0.127 0.000 0.925 110 Q CB 0.360 29.166 28.738 0.112 0.000 1.212 110 Q HN 0.404 nan 8.270 nan 0.000 0.436 111 F N 3.257 123.291 119.950 0.140 0.000 2.429 111 F HA 0.230 4.759 4.527 0.004 0.000 0.348 111 F C 0.625 176.511 175.800 0.143 0.000 1.109 111 F CA 0.016 58.122 58.000 0.176 0.000 1.232 111 F CB 0.545 39.612 39.000 0.112 0.000 1.157 111 F HN 0.427 nan 8.300 nan 0.000 0.564 112 I N 0.799 121.541 120.570 0.288 0.000 3.108 112 I HA 0.247 4.419 4.170 0.004 0.000 0.312 112 I C -0.521 175.709 176.117 0.188 0.000 1.095 112 I CA -1.064 60.349 61.300 0.189 0.000 1.000 112 I CB 1.755 39.822 38.000 0.112 0.000 1.229 112 I HN 0.631 nan 8.210 nan 0.000 0.454 113 E N 2.950 123.232 120.200 0.136 0.000 2.197 113 E HA -0.219 4.134 4.350 0.004 0.000 0.184 113 E C 0.874 177.572 176.600 0.163 0.000 1.439 113 E CA 0.644 57.117 56.400 0.121 0.000 0.688 113 E CB -1.530 28.223 29.700 0.089 0.000 1.090 113 E HN 1.101 nan 8.360 nan 0.000 0.341 114 G N -0.648 108.258 108.800 0.176 0.000 2.187 114 G HA2 -0.234 3.728 3.960 0.004 0.000 0.261 114 G HA3 -0.234 3.728 3.960 0.004 0.000 0.261 114 G C 0.973 176.058 174.900 0.308 0.000 1.000 114 G CA 0.943 46.176 45.100 0.222 0.000 0.718 114 G HN 1.634 nan 8.290 nan 0.000 0.519 115 G N -0.839 108.154 108.800 0.322 0.000 2.175 115 G HA2 -0.142 3.820 3.960 0.004 0.000 0.244 115 G HA3 -0.142 3.820 3.960 0.004 0.000 0.244 115 G C 1.039 176.289 174.900 0.583 0.000 0.982 115 G CA 1.193 46.541 45.100 0.413 0.000 0.641 115 G HN 1.971 nan 8.290 nan 0.000 0.527 116 R N 0.135 120.888 120.500 0.422 0.000 2.316 116 R HA 0.438 4.780 4.340 0.004 0.000 0.202 116 R C 1.069 177.515 176.300 0.244 0.000 1.029 116 R CA 0.906 57.162 56.100 0.261 0.000 1.018 116 R CB 0.070 30.383 30.300 0.022 0.000 0.888 116 R HN 0.473 nan 8.270 nan 0.000 0.471 117 R N -0.586 120.080 120.500 0.276 0.000 2.752 117 R HA 0.393 4.735 4.340 0.004 0.000 0.271 117 R C -1.587 174.833 176.300 0.201 0.000 1.026 117 R CA -0.911 55.289 56.100 0.167 0.000 0.901 117 R CB 1.696 32.014 30.300 0.031 0.000 1.243 117 R HN 0.151 nan 8.270 nan 0.000 0.463 118 F N -0.761 119.130 119.950 -0.097 0.000 2.591 118 F HA 0.457 4.986 4.527 0.004 0.000 0.309 118 F C -1.061 174.651 175.800 -0.146 0.000 1.098 118 F CA -0.979 56.863 58.000 -0.264 0.000 0.937 118 F CB 1.804 40.350 39.000 -0.756 0.000 1.250 118 F HN 0.319 nan 8.300 nan 0.000 0.447 119 Q N 3.485 123.320 119.800 0.060 0.000 2.303 119 Q HA 0.410 4.753 4.340 0.004 0.000 0.257 119 Q C -0.735 175.357 176.000 0.154 0.000 0.941 119 Q CA -0.754 55.061 55.803 0.020 0.000 0.931 119 Q CB 1.356 30.110 28.738 0.026 0.000 1.215 119 Q HN 1.097 nan 8.270 nan 0.000 0.437 120 C N 5.085 124.467 119.300 0.138 0.000 2.633 120 C HA 0.067 4.529 4.460 0.004 0.000 0.415 120 C C 1.966 177.052 174.990 0.161 0.000 1.393 120 C CA -0.387 58.776 59.018 0.241 0.000 1.700 120 C CB -1.178 26.694 27.740 0.221 0.000 2.541 120 C HN 1.096 nan 8.230 nan 0.000 0.603 121 C N 3.513 122.895 119.300 0.136 0.000 2.522 121 C HA 0.180 4.642 4.460 0.004 0.000 0.271 121 C C 1.714 176.569 174.990 -0.224 0.000 1.425 121 C CA 0.104 59.082 59.018 -0.067 0.000 1.751 121 C CB -2.060 25.595 27.740 -0.141 0.000 1.775 121 C HN 0.877 nan 8.230 nan 0.000 0.557 122 F N 1.283 121.268 119.950 0.058 0.000 2.383 122 F HA 0.123 4.653 4.527 0.004 0.000 0.287 122 F C 2.442 178.252 175.800 0.017 0.000 1.069 122 F CA 1.029 59.046 58.000 0.028 0.000 1.402 122 F CB -0.330 38.694 39.000 0.039 0.000 1.116 122 F HN 0.439 nan 8.300 nan 0.000 0.549 123 C N -2.694 116.729 119.300 0.204 0.000 3.525 123 C HA 0.543 5.005 4.460 0.004 0.000 0.289 123 C C 1.272 176.298 174.990 0.060 0.000 1.496 123 C CA -0.376 58.707 59.018 0.108 0.000 1.804 123 C CB -0.447 27.348 27.740 0.091 0.000 2.708 123 C HN 0.355 nan 8.230 nan 0.000 0.642 124 S N -0.618 115.116 115.700 0.057 0.000 3.127 124 S HA -0.252 4.220 4.470 0.004 0.000 0.281 124 S C 0.435 175.037 174.600 0.004 0.000 1.293 124 S CA 0.965 59.181 58.200 0.027 0.000 1.156 124 S CB -2.439 60.770 63.200 0.015 0.000 1.389 124 S HN 1.156 nan 8.310 nan 0.000 0.672 125 C N 2.595 121.895 119.300 0.000 0.000 2.632 125 C HA 0.490 4.952 4.460 0.004 0.000 0.415 125 C C 0.641 175.561 174.990 -0.115 0.000 1.332 125 C CA -0.629 58.361 59.018 -0.048 0.000 1.874 125 C CB -1.109 26.603 27.740 -0.048 0.000 2.596 125 C HN 0.453 nan 8.230 nan 0.000 0.590 126 I N 7.734 128.222 120.570 -0.138 0.000 2.371 126 I HA 0.286 4.458 4.170 0.004 0.000 0.290 126 I C 0.384 176.308 176.117 -0.322 0.000 1.028 126 I CA 0.397 61.568 61.300 -0.215 0.000 1.345 126 I CB 0.307 38.230 38.000 -0.128 0.000 1.407 126 I HN 0.701 nan 8.210 nan 0.000 0.501 127 N N 5.110 123.442 118.700 -0.613 0.000 2.335 127 N HA 0.321 5.063 4.740 0.004 0.000 0.304 127 N C -1.208 174.008 175.510 -0.489 0.000 1.135 127 N CA -0.821 51.831 53.050 -0.664 0.000 0.817 127 N CB 1.878 39.681 38.487 -1.141 0.000 1.294 127 N HN 0.454 nan 8.380 nan 0.000 0.497 128 D N 0.620 120.884 120.400 -0.227 0.000 2.339 128 D HA 0.178 4.820 4.640 0.004 0.000 0.245 128 D C -0.240 176.115 176.300 0.091 0.000 1.115 128 D CA -0.007 53.961 54.000 -0.053 0.000 0.917 128 D CB 1.553 42.342 40.800 -0.019 0.000 1.192 128 D HN 0.019 nan 8.370 nan 0.000 0.428 129 V N 3.691 123.734 119.914 0.214 0.000 2.350 129 V HA 0.217 4.339 4.120 0.004 0.000 0.276 129 V C -1.989 174.272 176.094 0.277 0.000 1.028 129 V CA -1.540 60.992 62.300 0.386 0.000 0.860 129 V CB 1.232 33.380 31.823 0.541 0.000 0.990 129 V HN 0.399 nan 8.190 nan 0.000 0.453 130 P HA 0.067 nan 4.420 nan 0.000 0.265 130 P C -1.713 175.709 177.300 0.203 0.000 1.187 130 P CA -0.884 62.316 63.100 0.167 0.000 0.766 130 P CB 0.206 31.980 31.700 0.122 0.000 0.820 131 P HA -0.202 nan 4.420 nan 0.000 0.218 131 P C 1.030 178.421 177.300 0.152 0.000 1.148 131 P CA 1.700 64.871 63.100 0.119 0.000 0.822 131 P CB 0.148 31.877 31.700 0.049 0.000 0.784 132 Q N -2.076 117.805 119.800 0.134 0.000 2.297 132 Q HA -0.131 4.211 4.340 0.004 0.000 0.204 132 Q C 1.734 177.824 176.000 0.150 0.000 0.962 132 Q CA 0.890 56.764 55.803 0.118 0.000 0.879 132 Q CB -0.272 28.521 28.738 0.093 0.000 0.947 132 Q HN 0.323 nan 8.270 nan 0.000 0.462 133 Y N -0.630 119.693 120.300 0.038 0.000 2.458 133 Y HA 0.109 4.662 4.550 0.004 0.000 0.254 133 Y C 0.077 175.995 175.900 0.030 0.000 1.120 133 Y CA -0.961 57.137 58.100 -0.003 0.000 1.282 133 Y CB 0.450 38.894 38.460 -0.028 0.000 1.109 133 Y HN -0.035 nan 8.280 nan 0.000 0.526 134 F N 2.595 122.545 119.950 0.000 0.000 2.608 134 F HA 0.266 4.796 4.527 0.004 0.000 0.380 134 F C -0.240 175.433 175.800 -0.212 0.000 1.083 134 F CA 0.337 58.291 58.000 -0.075 0.000 1.266 134 F CB 0.339 39.308 39.000 -0.051 0.000 1.076 134 F HN 0.072 nan 8.300 nan 0.000 0.574 135 Q N 4.223 123.210 119.800 -1.355 0.000 2.345 135 Q HA 0.301 4.643 4.340 0.004 0.000 0.275 135 Q C -0.986 174.234 176.000 -1.300 0.000 1.063 135 Q CA -0.756 54.349 55.803 -1.163 0.000 0.819 135 Q CB 1.202 29.504 28.738 -0.727 0.000 1.356 135 Q HN 0.672 nan 8.270 nan 0.000 0.418 136 H N 2.468 121.058 119.070 -0.799 0.000 2.745 136 H HA 0.161 4.719 4.556 0.004 0.000 0.373 136 H C 0.437 175.585 175.328 -0.300 0.000 1.226 136 H CA 0.628 56.430 56.048 -0.411 0.000 1.435 136 H CB 0.826 30.482 29.762 -0.175 0.000 1.461 136 H HN 0.588 nan 8.280 nan 0.000 0.616 137 L N -0.462 120.769 121.223 0.013 0.000 2.540 137 L HA 0.073 4.415 4.340 0.004 0.000 0.188 137 L C 1.439 178.325 176.870 0.027 0.000 1.294 137 L CA 0.272 55.092 54.840 -0.034 0.000 2.669 137 L CB -0.046 42.033 42.059 0.034 0.000 2.507 137 L HN 0.665 nan 8.230 nan 0.000 1.090 138 D N -1.727 118.711 120.400 0.063 0.000 2.298 138 D HA -0.232 4.410 4.640 0.004 0.000 0.255 138 D C 0.878 177.220 176.300 0.071 0.000 0.710 138 D CA 0.735 54.773 54.000 0.064 0.000 1.585 138 D CB -1.094 39.748 40.800 0.069 0.000 1.372 138 D HN 0.390 nan 8.370 nan 0.000 0.725 139 H N 1.886 120.941 119.070 -0.026 0.000 5.111 139 H HA 0.264 4.822 4.556 0.004 0.000 0.153 139 H C 0.601 175.923 175.328 -0.009 0.000 0.964 139 H CA 2.458 58.494 56.048 -0.021 0.000 1.334 139 H CB -1.350 28.385 29.762 -0.045 0.000 1.518 139 H HN 0.408 nan 8.280 nan 0.000 0.947 140 T N -2.543 111.970 114.554 -0.069 0.000 4.093 140 T HA -0.279 4.073 4.350 0.004 0.000 0.334 140 T C 1.317 176.028 174.700 0.020 0.000 0.773 140 T CA 1.202 63.278 62.100 -0.040 0.000 1.900 140 T CB -2.053 66.763 68.868 -0.085 0.000 1.911 140 T HN 1.187 nan 8.240 nan 0.000 0.844 141 G N -0.202 108.630 108.800 0.053 0.000 2.211 141 G HA2 -0.196 3.766 3.960 0.004 0.000 0.201 141 G HA3 -0.196 3.766 3.960 0.004 0.000 0.201 141 G C -0.187 174.768 174.900 0.091 0.000 0.997 141 G CA 0.403 45.554 45.100 0.086 0.000 0.652 141 G HN 1.000 nan 8.290 nan 0.000 0.500 142 K N 0.723 121.169 120.400 0.077 0.000 2.143 142 K HA 0.573 4.896 4.320 0.004 0.000 0.272 142 K C 0.561 177.112 176.600 -0.083 0.000 1.001 142 K CA -0.889 55.412 56.287 0.024 0.000 0.915 142 K CB 0.579 33.133 32.500 0.090 0.000 1.047 142 K HN 0.110 nan 8.250 nan 0.000 0.458 143 R N 2.586 122.932 120.500 -0.257 0.000 2.502 143 R HA -0.061 4.281 4.340 0.004 0.000 0.292 143 R C 1.090 177.188 176.300 -0.336 0.000 0.998 143 R CA 0.279 56.127 56.100 -0.420 0.000 1.056 143 R CB 0.309 30.243 30.300 -0.611 0.000 0.939 143 R HN 0.567 nan 8.270 nan 0.000 0.411 144 V N 3.153 122.903 119.914 -0.274 0.000 2.688 144 V HA -0.185 3.938 4.120 0.004 0.000 0.256 144 V C 0.899 176.850 176.094 -0.237 0.000 1.084 144 V CA 2.463 64.636 62.300 -0.211 0.000 1.103 144 V CB -0.357 31.386 31.823 -0.133 0.000 0.688 144 V HN 0.963 nan 8.190 nan 0.000 0.480 145 D N -1.446 118.778 120.400 -0.294 0.000 2.462 145 D HA 0.222 4.864 4.640 0.004 0.000 0.221 145 D C 1.602 177.729 176.300 -0.288 0.000 1.173 145 D CA 0.651 54.498 54.000 -0.255 0.000 0.831 145 D CB 0.404 41.042 40.800 -0.270 0.000 1.001 145 D HN 0.325 nan 8.370 nan 0.000 0.499 146 A N 0.750 123.340 122.820 -0.385 0.000 1.896 146 A HA -0.277 4.045 4.320 0.004 0.000 0.220 146 A C 1.758 179.106 177.584 -0.394 0.000 1.206 146 A CA 1.464 53.230 52.037 -0.451 0.000 0.647 146 A CB -1.454 17.177 19.000 -0.614 0.000 0.828 146 A HN 0.391 nan 8.150 nan 0.000 0.455 147 Y N -0.089 120.097 120.300 -0.189 0.000 2.574 147 Y HA -0.126 4.426 4.550 0.004 0.000 0.294 147 Y C 1.534 177.335 175.900 -0.166 0.000 1.142 147 Y CA 0.870 58.870 58.100 -0.167 0.000 1.314 147 Y CB -0.099 38.268 38.460 -0.154 0.000 0.991 147 Y HN 0.337 nan 8.280 nan 0.000 0.555 148 D N -0.741 119.628 120.400 -0.051 0.000 2.354 148 D HA 0.037 4.679 4.640 0.004 0.000 0.209 148 D C 0.274 176.511 176.300 -0.104 0.000 1.015 148 D CA 0.449 54.404 54.000 -0.075 0.000 0.867 148 D CB 0.137 40.890 40.800 -0.080 0.000 0.933 148 D HN -0.032 nan 8.370 nan 0.000 0.520 149 R N 1.044 121.462 120.500 -0.136 0.000 2.275 149 R HA 0.260 4.602 4.340 0.004 0.000 0.326 149 R C -1.663 174.529 176.300 -0.179 0.000 0.973 149 R CA -1.896 54.128 56.100 -0.127 0.000 0.854 149 R CB 1.370 31.597 30.300 -0.122 0.000 1.156 149 R HN -0.086 nan 8.270 nan 0.000 0.487 150 P HA -0.229 nan 4.420 nan 0.000 0.216 150 P C 0.493 177.527 177.300 -0.444 0.000 1.150 150 P CA 1.228 64.174 63.100 -0.256 0.000 0.837 150 P CB 0.400 31.980 31.700 -0.201 0.000 0.786 151 E N 0.674 120.445 120.200 -0.715 0.000 2.338 151 E HA -0.116 4.236 4.350 0.004 0.000 0.197 151 E C 1.681 178.039 176.600 -0.404 0.000 1.007 151 E CA 0.850 56.546 56.400 -1.173 0.000 0.849 151 E CB -0.883 28.374 29.700 -0.740 0.000 0.774 151 E HN 0.348 nan 8.360 nan 0.000 0.506 152 L N 0.913 122.002 121.223 -0.224 0.000 2.640 152 L HA 0.181 4.523 4.340 0.004 0.000 0.230 152 L C 1.667 178.424 176.870 -0.187 0.000 1.123 152 L CA 0.644 55.405 54.840 -0.131 0.000 0.900 152 L CB 0.217 42.197 42.059 -0.132 0.000 1.146 152 L HN 0.141 nan 8.230 nan 0.000 0.484 153 S N -1.790 113.804 115.700 -0.176 0.000 2.648 153 S HA 0.330 4.803 4.470 0.004 0.000 0.270 153 S C 0.230 174.798 174.600 -0.054 0.000 1.080 153 S CA -0.451 57.656 58.200 -0.156 0.000 1.159 153 S CB 0.406 63.505 63.200 -0.169 0.000 1.091 153 S HN 0.076 nan 8.310 nan 0.000 0.605 154 L N 1.293 122.527 121.223 0.018 0.000 2.342 154 L HA 0.696 5.038 4.340 0.004 0.000 0.271 154 L C 1.564 178.584 176.870 0.250 0.000 1.008 154 L CA -0.666 54.252 54.840 0.129 0.000 0.818 154 L CB 1.457 43.608 42.059 0.153 0.000 1.296 154 L HN 0.261 nan 8.230 nan 0.000 0.427 155 G N 0.654 109.577 108.800 0.206 0.000 2.443 155 G HA2 -0.062 3.900 3.960 0.004 0.000 0.219 155 G HA3 -0.062 3.900 3.960 0.004 0.000 0.219 155 G C 0.469 175.428 174.900 0.098 0.000 1.131 155 G CA 0.330 45.565 45.100 0.225 0.000 0.775 155 G HN 0.490 nan 8.290 nan 0.000 0.547 156 S N -0.872 114.870 115.700 0.070 0.000 2.542 156 S HA 0.736 5.208 4.470 0.004 0.000 0.293 156 S C -1.064 173.442 174.600 -0.157 0.000 1.089 156 S CA -0.602 57.461 58.200 -0.228 0.000 0.961 156 S CB 1.832 65.000 63.200 -0.053 0.000 1.062 156 S HN 0.544 nan 8.310 nan 0.000 0.483 157 Y N -1.114 119.047 120.300 -0.231 0.000 2.851 157 Y HA 0.606 5.158 4.550 0.004 0.000 0.359 157 Y C -1.206 174.464 175.900 -0.384 0.000 1.231 157 Y CA -1.232 56.727 58.100 -0.235 0.000 1.106 157 Y CB 0.379 38.682 38.460 -0.262 0.000 1.409 157 Y HN 0.518 nan 8.280 nan 0.000 0.454 158 E N 0.275 120.386 120.200 -0.149 0.000 2.393 158 E HA 0.721 5.073 4.350 0.004 0.000 0.265 158 E C -1.949 174.396 176.600 -0.424 0.000 0.941 158 E CA -1.036 55.211 56.400 -0.255 0.000 0.801 158 E CB 2.745 32.386 29.700 -0.099 0.000 1.313 158 E HN 0.392 nan 8.360 nan 0.000 0.435 159 F N 0.450 120.335 119.950 -0.108 0.000 2.591 159 F HA 0.365 4.894 4.527 0.004 0.000 0.309 159 F C -0.494 175.193 175.800 -0.187 0.000 1.098 159 F CA -0.724 57.177 58.000 -0.165 0.000 0.937 159 F CB 1.157 40.011 39.000 -0.242 0.000 1.250 159 F HN 0.169 nan 8.300 nan 0.000 0.447 160 L N 2.894 124.165 121.223 0.080 0.000 2.331 160 L HA 0.627 4.969 4.340 0.004 0.000 0.278 160 L C 0.279 177.096 176.870 -0.088 0.000 1.106 160 L CA -0.630 54.200 54.840 -0.017 0.000 0.824 160 L CB 0.954 43.020 42.059 0.012 0.000 1.142 160 L HN 0.764 nan 8.230 nan 0.000 0.443 161 A N 2.450 125.185 122.820 -0.142 0.000 2.304 161 A HA 0.646 4.968 4.320 0.004 0.000 0.301 161 A C 0.242 177.842 177.584 0.026 0.000 1.132 161 A CA -0.450 51.406 52.037 -0.301 0.000 0.819 161 A CB 0.720 19.536 19.000 -0.307 0.000 1.094 161 A HN 0.736 nan 8.150 nan 0.000 0.492 162 T N -1.002 113.582 114.554 0.051 0.000 2.897 162 T HA 0.405 4.757 4.350 0.004 0.000 0.278 162 T C 1.411 176.143 174.700 0.052 0.000 0.981 162 T CA -0.036 62.188 62.100 0.206 0.000 0.973 162 T CB 0.712 69.698 68.868 0.197 0.000 1.092 162 T HN 1.479 nan 8.240 nan 0.000 0.543 163 V N -0.830 118.879 119.914 -0.341 0.000 2.546 163 V HA -0.181 3.942 4.120 0.004 0.000 0.254 163 V C 1.668 177.649 176.094 -0.189 0.000 1.076 163 V CA 1.980 63.951 62.300 -0.548 0.000 1.087 163 V CB -1.429 30.043 31.823 -0.584 0.000 0.674 163 V HN 0.906 nan 8.190 nan 0.000 0.470 164 D N -1.436 118.931 120.400 -0.054 0.000 2.371 164 D HA -0.089 4.554 4.640 0.004 0.000 0.234 164 D C 1.268 177.487 176.300 -0.136 0.000 1.049 164 D CA 0.688 54.632 54.000 -0.093 0.000 0.907 164 D CB -0.665 40.064 40.800 -0.119 0.000 0.891 164 D HN 0.665 nan 8.370 nan 0.000 0.531 165 Y N -0.366 119.892 120.300 -0.070 0.000 2.481 165 Y HA 0.259 4.812 4.550 0.004 0.000 0.247 165 Y C 0.530 176.415 175.900 -0.025 0.000 1.151 165 Y CA -0.641 57.444 58.100 -0.024 0.000 1.238 165 Y CB 0.694 39.159 38.460 0.009 0.000 1.179 165 Y HN -0.025 nan 8.280 nan 0.000 0.524 166 C N 0.582 119.919 119.300 0.061 0.000 2.470 166 C HA 0.366 4.829 4.460 0.004 0.000 0.341 166 C C 0.205 175.193 174.990 -0.004 0.000 1.190 166 C CA -1.608 57.427 59.018 0.029 0.000 1.904 166 C CB 1.267 28.998 27.740 -0.015 0.000 2.354 166 C HN 0.212 nan 8.230 nan 0.000 0.509 167 K N 2.125 122.533 120.400 0.013 0.000 2.485 167 K HA 0.004 4.326 4.320 0.004 0.000 0.277 167 K C 0.519 177.109 176.600 -0.017 0.000 0.990 167 K CA 0.618 56.906 56.287 0.001 0.000 0.994 167 K CB 0.148 32.657 32.500 0.014 0.000 0.906 167 K HN 0.714 nan 8.250 nan 0.000 0.488 168 N N 2.152 120.838 118.700 -0.024 0.000 2.678 168 N HA -0.289 4.453 4.740 0.004 0.000 0.249 168 N C -0.115 175.367 175.510 -0.048 0.000 1.119 168 N CA 1.323 54.355 53.050 -0.030 0.000 0.718 168 N CB -1.249 37.227 38.487 -0.019 0.000 1.060 168 N HN 0.909 nan 8.380 nan 0.000 0.552 169 N N -1.051 117.609 118.700 -0.068 0.000 2.732 169 N HA -0.229 4.513 4.740 0.004 0.000 0.250 169 N C -1.099 174.319 175.510 -0.155 0.000 1.097 169 N CA 1.923 54.907 53.050 -0.109 0.000 0.812 169 N CB -0.400 38.032 38.487 -0.092 0.000 1.148 169 N HN 0.560 nan 8.380 nan 0.000 0.572 170 K N 0.007 120.339 120.400 -0.113 0.000 2.244 170 K HA 0.296 4.619 4.320 0.004 0.000 0.260 170 K C -0.362 176.202 176.600 -0.060 0.000 0.951 170 K CA -0.812 55.418 56.287 -0.095 0.000 0.826 170 K CB 0.784 33.276 32.500 -0.015 0.000 1.108 170 K HN -0.054 nan 8.250 nan 0.000 0.433 171 F N 4.157 124.117 119.950 0.016 0.000 2.629 171 F HA -0.008 4.522 4.527 0.004 0.000 0.369 171 F C -1.021 174.782 175.800 0.006 0.000 1.125 171 F CA -0.921 57.087 58.000 0.013 0.000 1.330 171 F CB -0.274 38.730 39.000 0.007 0.000 1.071 171 F HN 0.452 nan 8.300 nan 0.000 0.595 172 P HA 0.169 nan 4.420 nan 0.000 0.275 172 P C -1.044 176.299 177.300 0.071 0.000 1.270 172 P CA -0.395 62.770 63.100 0.108 0.000 0.791 172 P CB 0.819 32.573 31.700 0.091 0.000 1.089 173 S N -0.119 115.594 115.700 0.021 0.000 2.566 173 S HA 0.493 4.965 4.470 0.004 0.000 0.298 173 S C -2.522 172.041 174.600 -0.061 0.000 1.083 173 S CA -1.266 56.926 58.200 -0.013 0.000 0.978 173 S CB 1.182 64.374 63.200 -0.014 0.000 1.073 173 S HN 0.433 nan 8.310 nan 0.000 0.491 174 P HA 0.128 nan 4.420 nan 0.000 0.264 174 P C -2.454 174.709 177.300 -0.228 0.000 1.183 174 P CA -0.691 62.318 63.100 -0.151 0.000 0.763 174 P CB -0.535 31.088 31.700 -0.127 0.000 0.807 175 P HA 0.307 nan 4.420 nan 0.000 0.293 175 P C -0.763 176.279 177.300 -0.430 0.000 1.298 175 P CA -0.124 62.669 63.100 -0.513 0.000 0.757 175 P CB 0.678 31.669 31.700 -1.181 0.000 1.262 176 A N -1.392 121.229 122.820 -0.332 0.000 2.602 176 A HA 0.704 5.026 4.320 0.004 0.000 0.290 176 A C -1.498 176.106 177.584 0.033 0.000 1.114 176 A CA -0.446 51.443 52.037 -0.247 0.000 0.683 176 A CB 0.838 19.754 19.000 -0.140 0.000 1.281 176 A HN 0.278 nan 8.150 nan 0.000 0.416 177 F N -0.317 119.591 119.950 -0.070 0.000 2.538 177 F HA 0.764 5.293 4.527 0.004 0.000 0.325 177 F C 0.053 175.669 175.800 -0.307 0.000 1.066 177 F CA -1.580 56.377 58.000 -0.071 0.000 0.946 177 F CB 1.727 40.713 39.000 -0.023 0.000 1.199 177 F HN 0.334 nan 8.300 nan 0.000 0.473 178 I N 2.738 123.236 120.570 -0.121 0.000 2.500 178 I HA 0.250 4.423 4.170 0.004 0.000 0.286 178 I C -1.497 174.524 176.117 -0.159 0.000 1.063 178 I CA -0.471 60.704 61.300 -0.208 0.000 1.062 178 I CB 1.801 39.804 38.000 0.005 0.000 1.223 178 I HN 0.248 nan 8.210 nan 0.000 0.435 179 F N 6.499 126.588 119.950 0.231 0.000 2.350 179 F HA 0.477 5.006 4.527 0.004 0.000 0.365 179 F C 0.246 176.321 175.800 0.458 0.000 1.122 179 F CA -0.434 57.835 58.000 0.448 0.000 1.139 179 F CB 0.909 40.192 39.000 0.472 0.000 1.220 179 F HN 0.211 nan 8.300 nan 0.000 0.499 180 M N 5.644 125.610 119.600 0.610 0.000 2.047 180 M HA 0.446 4.928 4.480 0.004 0.000 0.342 180 M C -0.786 175.942 176.300 0.714 0.000 1.058 180 M CA -0.116 55.517 55.300 0.555 0.000 0.991 180 M CB 1.002 33.818 32.600 0.358 0.000 1.474 180 M HN 0.378 nan 8.290 nan 0.000 0.419 181 I N 1.553 122.446 120.570 0.539 0.000 2.359 181 I HA 0.225 4.398 4.170 0.004 0.000 0.294 181 I C 0.044 176.057 176.117 -0.173 0.000 0.987 181 I CA -0.755 60.730 61.300 0.308 0.000 1.225 181 I CB 1.361 39.443 38.000 0.137 0.000 1.366 181 I HN 0.537 nan 8.210 nan 0.000 0.466 182 D N 6.052 126.257 120.400 -0.325 0.000 2.339 182 D HA 0.170 4.813 4.640 0.004 0.000 0.256 182 D C 0.402 176.430 176.300 -0.453 0.000 1.214 182 D CA -0.317 53.244 54.000 -0.731 0.000 0.877 182 D CB 1.173 41.734 40.800 -0.398 0.000 1.111 182 D HN 0.345 nan 8.370 nan 0.000 0.478 183 V N 2.088 121.696 119.914 -0.509 0.000 2.982 183 V HA 0.299 4.421 4.120 0.004 0.000 0.368 183 V C 0.597 176.475 176.094 -0.360 0.000 1.350 183 V CA -0.094 61.947 62.300 -0.433 0.000 1.251 183 V CB -0.961 30.462 31.823 -0.666 0.000 1.284 183 V HN 0.478 nan 8.190 nan 0.000 0.533 184 S N -0.475 115.069 115.700 -0.261 0.000 2.640 184 S HA 0.320 4.792 4.470 0.004 0.000 0.262 184 S C 0.922 175.509 174.600 -0.022 0.000 1.232 184 S CA 0.338 58.469 58.200 -0.114 0.000 0.988 184 S CB 0.607 63.761 63.200 -0.076 0.000 1.034 184 S HN 0.468 nan 8.310 nan 0.000 0.569 185 Y N 2.028 122.286 120.300 -0.069 0.000 2.034 185 Y HA -0.194 4.358 4.550 0.004 0.000 0.269 185 Y C 2.288 178.153 175.900 -0.058 0.000 1.125 185 Y CA 2.424 60.498 58.100 -0.043 0.000 1.097 185 Y CB -1.293 37.155 38.460 -0.019 0.000 0.978 185 Y HN 0.708 nan 8.280 nan 0.000 0.480 186 N N 0.535 119.117 118.700 -0.198 0.000 2.187 186 N HA -0.297 4.445 4.740 0.004 0.000 0.194 186 N C 1.771 177.121 175.510 -0.268 0.000 1.002 186 N CA 1.779 54.660 53.050 -0.282 0.000 0.882 186 N CB -0.564 37.864 38.487 -0.098 0.000 1.003 186 N HN 0.571 nan 8.380 nan 0.000 0.443 187 A N 1.167 123.842 122.820 -0.242 0.000 1.887 187 A HA 0.069 4.392 4.320 0.004 0.000 0.212 187 A C 2.208 179.640 177.584 -0.253 0.000 1.198 187 A CA 0.311 52.176 52.037 -0.286 0.000 0.628 187 A CB -0.134 18.680 19.000 -0.311 0.000 0.847 187 A HN 0.047 nan 8.150 nan 0.000 0.449 188 I N 1.325 121.777 120.570 -0.197 0.000 2.286 188 I HA -0.262 3.910 4.170 0.004 0.000 0.248 188 I C 2.691 178.724 176.117 -0.140 0.000 1.115 188 I CA 1.894 63.114 61.300 -0.134 0.000 1.392 188 I CB -1.145 36.830 38.000 -0.042 0.000 1.065 188 I HN 0.542 nan 8.210 nan 0.000 0.418 189 R N 1.317 121.685 120.500 -0.220 0.000 2.070 189 R HA -0.139 4.203 4.340 0.004 0.000 0.233 189 R C 2.029 178.236 176.300 -0.155 0.000 1.137 189 R CA 2.017 57.985 56.100 -0.220 0.000 0.945 189 R CB -1.719 28.327 30.300 -0.424 0.000 0.845 189 R HN 0.393 nan 8.270 nan 0.000 0.430 190 T N -2.680 111.787 114.554 -0.145 0.000 3.052 190 T HA 0.077 4.429 4.350 0.004 0.000 0.270 190 T C 1.560 176.241 174.700 -0.030 0.000 1.147 190 T CA 0.890 62.949 62.100 -0.068 0.000 1.089 190 T CB -0.236 68.681 68.868 0.081 0.000 0.875 190 T HN 0.685 nan 8.240 nan 0.000 0.541 191 G N 0.457 109.221 108.800 -0.060 0.000 2.199 191 G HA2 -0.299 3.663 3.960 0.004 0.000 0.254 191 G HA3 -0.299 3.663 3.960 0.004 0.000 0.254 191 G C 0.532 175.400 174.900 -0.053 0.000 0.982 191 G CA 0.376 45.445 45.100 -0.053 0.000 0.632 191 G HN 0.581 nan 8.290 nan 0.000 0.529 192 L N 1.452 122.636 121.223 -0.065 0.000 1.951 192 L HA -0.086 4.257 4.340 0.004 0.000 0.222 192 L C 2.949 179.621 176.870 -0.331 0.000 1.078 192 L CA 3.111 57.762 54.840 -0.316 0.000 0.778 192 L CB -1.034 40.595 42.059 -0.716 0.000 0.893 192 L HN 0.439 nan 8.230 nan 0.000 0.436 193 V N -0.124 119.608 119.914 -0.305 0.000 2.527 193 V HA -0.304 3.818 4.120 0.004 0.000 0.255 193 V C 2.721 178.704 176.094 -0.186 0.000 1.081 193 V CA 1.983 64.136 62.300 -0.246 0.000 1.092 193 V CB -1.046 30.671 31.823 -0.178 0.000 0.673 193 V HN 0.529 nan 8.190 nan 0.000 0.470 194 R N 0.212 120.622 120.500 -0.150 0.000 2.055 194 R HA -0.011 4.331 4.340 0.004 0.000 0.226 194 R C 2.011 178.239 176.300 -0.120 0.000 1.135 194 R CA 1.414 57.444 56.100 -0.118 0.000 0.959 194 R CB -0.952 29.294 30.300 -0.089 0.000 0.854 194 R HN 0.367 nan 8.270 nan 0.000 0.431 195 L N 0.534 121.696 121.223 -0.102 0.000 2.012 195 L HA -0.080 4.263 4.340 0.004 0.000 0.210 195 L C 1.998 178.809 176.870 -0.098 0.000 1.073 195 L CA 1.737 56.537 54.840 -0.067 0.000 0.748 195 L CB -1.007 41.059 42.059 0.012 0.000 0.891 195 L HN 0.369 nan 8.230 nan 0.000 0.431 196 L N -0.533 120.596 121.223 -0.156 0.000 1.970 196 L HA -0.265 4.078 4.340 0.004 0.000 0.212 196 L C 2.601 179.313 176.870 -0.263 0.000 1.071 196 L CA 2.248 56.944 54.840 -0.240 0.000 0.751 196 L CB -1.076 40.707 42.059 -0.460 0.000 0.889 196 L HN 0.429 nan 8.230 nan 0.000 0.432 197 C N -0.155 119.000 119.300 -0.241 0.000 2.403 197 C HA -0.147 4.315 4.460 0.004 0.000 0.279 197 C C 2.616 177.490 174.990 -0.193 0.000 1.269 197 C CA 0.649 59.533 59.018 -0.223 0.000 1.774 197 C CB -1.121 26.504 27.740 -0.192 0.000 1.993 197 C HN 0.581 nan 8.230 nan 0.000 0.496 198 E N 0.821 120.925 120.200 -0.160 0.000 2.006 198 E HA -0.175 4.178 4.350 0.004 0.000 0.192 198 E C 2.051 178.571 176.600 -0.134 0.000 0.993 198 E CA 1.291 57.613 56.400 -0.129 0.000 0.808 198 E CB -0.677 28.962 29.700 -0.101 0.000 0.764 198 E HN 0.620 nan 8.360 nan 0.000 0.449 199 E N 1.377 121.490 120.200 -0.145 0.000 2.065 199 E HA -0.179 4.173 4.350 0.004 0.000 0.201 199 E C 2.245 178.746 176.600 -0.166 0.000 1.016 199 E CA 1.205 57.513 56.400 -0.154 0.000 0.818 199 E CB -0.563 29.016 29.700 -0.201 0.000 0.749 199 E HN 0.177 nan 8.360 nan 0.000 0.453 200 L N 0.133 121.215 121.223 -0.234 0.000 2.189 200 L HA -0.234 4.108 4.340 0.004 0.000 0.214 200 L C 2.402 179.171 176.870 -0.168 0.000 1.097 200 L CA 1.588 56.268 54.840 -0.266 0.000 0.764 200 L CB -0.474 41.359 42.059 -0.375 0.000 0.900 200 L HN 0.153 nan 8.230 nan 0.000 0.436 201 K N -0.912 119.399 120.400 -0.148 0.000 2.147 201 K HA -0.142 4.180 4.320 0.004 0.000 0.205 201 K C 2.342 178.900 176.600 -0.070 0.000 1.049 201 K CA 1.588 57.807 56.287 -0.114 0.000 0.936 201 K CB -0.116 32.318 32.500 -0.111 0.000 0.722 201 K HN 0.150 nan 8.250 nan 0.000 0.446 202 S N 0.277 115.950 115.700 -0.045 0.000 2.502 202 S HA 0.031 4.503 4.470 0.004 0.000 0.228 202 S C 1.721 176.387 174.600 0.110 0.000 1.061 202 S CA -0.134 58.081 58.200 0.024 0.000 0.935 202 S CB 0.021 63.249 63.200 0.047 0.000 0.809 202 S HN 0.167 nan 8.310 nan 0.000 0.510 203 L N 1.719 122.980 121.223 0.064 0.000 2.141 203 L HA 0.266 4.608 4.340 0.004 0.000 0.209 203 L C 1.278 178.240 176.870 0.154 0.000 1.094 203 L CA 1.506 56.427 54.840 0.136 0.000 0.763 203 L CB -0.749 41.295 42.059 -0.026 0.000 0.908 203 L HN 0.310 nan 8.230 nan 0.000 0.437 204 L N -0.063 121.188 121.223 0.048 0.000 2.737 204 L HA -0.054 4.288 4.340 0.004 0.000 0.246 204 L C 1.421 178.290 176.870 -0.002 0.000 1.153 204 L CA 0.894 55.780 54.840 0.078 0.000 0.920 204 L CB -0.993 41.125 42.059 0.099 0.000 1.090 204 L HN 0.289 nan 8.230 nan 0.000 0.430 205 D N -1.429 118.890 120.400 -0.135 0.000 2.423 205 D HA 0.081 4.723 4.640 0.004 0.000 0.208 205 D C 0.426 176.358 176.300 -0.613 0.000 1.068 205 D CA 0.493 54.222 54.000 -0.452 0.000 0.860 205 D CB 0.434 40.785 40.800 -0.748 0.000 0.992 205 D HN 0.272 nan 8.370 nan 0.000 0.504 206 F N 1.462 121.444 119.950 0.052 0.000 2.848 206 F HA 0.329 4.858 4.527 0.004 0.000 0.321 206 F C 0.407 176.268 175.800 0.103 0.000 1.281 206 F CA -0.472 57.566 58.000 0.063 0.000 1.209 206 F CB 0.024 39.054 39.000 0.050 0.000 1.152 206 F HN -0.362 nan 8.300 nan 0.000 0.521 207 L N 2.214 123.551 121.223 0.190 0.000 2.397 207 L HA 0.322 4.665 4.340 0.004 0.000 0.271 207 L C -2.035 174.939 176.870 0.173 0.000 1.148 207 L CA -2.010 52.957 54.840 0.211 0.000 0.825 207 L CB 0.380 42.512 42.059 0.123 0.000 1.117 207 L HN -0.022 nan 8.230 nan 0.000 0.456 208 P HA -0.038 nan 4.420 nan 0.000 0.259 208 P C -1.097 176.272 177.300 0.115 0.000 1.155 208 P CA 0.610 63.821 63.100 0.184 0.000 0.759 208 P CB 0.421 32.274 31.700 0.255 0.000 0.753 209 R N 2.193 122.757 120.500 0.106 0.000 2.888 209 R HA 0.520 4.862 4.340 0.004 0.000 0.266 209 R C 0.790 177.135 176.300 0.076 0.000 1.020 209 R CA -0.647 55.496 56.100 0.072 0.000 0.963 209 R CB 1.306 31.642 30.300 0.059 0.000 1.197 209 R HN 0.345 nan 8.270 nan 0.000 0.481 210 E N -0.175 120.059 120.200 0.058 0.000 2.625 210 E HA 0.253 4.606 4.350 0.004 0.000 0.185 210 E C 0.184 176.807 176.600 0.038 0.000 1.085 210 E CA 0.067 56.502 56.400 0.058 0.000 1.137 210 E CB 0.400 30.137 29.700 0.061 0.000 1.687 210 E HN 0.625 nan 8.360 nan 0.000 0.512 211 G N -0.212 108.603 108.800 0.025 0.000 4.126 211 G HA2 0.427 4.390 3.960 0.004 0.000 0.282 211 G HA3 0.427 4.390 3.960 0.004 0.000 0.282 211 G C 0.307 175.215 174.900 0.013 0.000 1.221 211 G CA -0.076 45.032 45.100 0.014 0.000 1.527 211 G HN 0.534 nan 8.290 nan 0.000 0.612 212 G N 0.012 108.824 108.800 0.019 0.000 2.350 212 G HA2 0.020 3.982 3.960 0.004 0.000 0.298 212 G HA3 0.020 3.982 3.960 0.004 0.000 0.298 212 G C 1.173 176.081 174.900 0.013 0.000 1.037 212 G CA 0.219 45.330 45.100 0.018 0.000 1.074 212 G HN 1.363 nan 8.290 nan 0.000 0.511 213 A N -0.191 122.638 122.820 0.015 0.000 2.067 213 A HA 0.296 4.618 4.320 0.004 0.000 0.219 213 A C 1.682 179.268 177.584 0.004 0.000 1.158 213 A CA 1.803 53.845 52.037 0.007 0.000 0.661 213 A CB -0.339 18.666 19.000 0.009 0.000 0.801 213 A HN 1.450 nan 8.150 nan 0.000 0.452 214 E N -1.647 118.558 120.200 0.009 0.000 3.426 214 E HA -0.258 4.094 4.350 0.004 0.000 0.291 214 E C 0.092 176.688 176.600 -0.007 0.000 0.898 214 E CA 1.204 57.605 56.400 0.003 0.000 0.970 214 E CB -1.196 28.505 29.700 0.000 0.000 1.489 214 E HN 0.889 nan 8.360 nan 0.000 0.461 215 E N -0.030 120.166 120.200 -0.006 0.000 2.537 215 E HA 0.238 4.590 4.350 0.004 0.000 0.301 215 E C -1.010 175.582 176.600 -0.014 0.000 0.990 215 E CA 0.003 56.394 56.400 -0.017 0.000 0.828 215 E CB 1.515 31.202 29.700 -0.022 0.000 1.243 215 E HN 0.032 nan 8.360 nan 0.000 0.414 216 S N 2.229 117.919 115.700 -0.016 0.000 2.584 216 S HA 0.438 4.910 4.470 0.004 0.000 0.270 216 S C 0.710 175.282 174.600 -0.048 0.000 1.346 216 S CA 0.681 58.868 58.200 -0.021 0.000 1.018 216 S CB 1.167 64.355 63.200 -0.020 0.000 0.899 216 S HN 0.630 nan 8.310 nan 0.000 0.542 217 A N 3.400 126.178 122.820 -0.071 0.000 2.229 217 A HA 0.333 4.655 4.320 0.004 0.000 0.211 217 A C 0.628 178.119 177.584 -0.154 0.000 1.193 217 A CA -0.222 51.759 52.037 -0.092 0.000 0.879 217 A CB -0.074 18.876 19.000 -0.083 0.000 0.911 217 A HN 0.713 nan 8.150 nan 0.000 0.492 218 I N 1.693 122.133 120.570 -0.217 0.000 2.752 218 I HA 0.054 4.227 4.170 0.004 0.000 0.289 218 I C 0.498 176.456 176.117 -0.265 0.000 1.197 218 I CA 0.721 61.793 61.300 -0.381 0.000 1.432 218 I CB -0.452 37.165 38.000 -0.638 0.000 1.359 218 I HN 0.276 nan 8.210 nan 0.000 0.571 219 R N 4.134 124.487 120.500 -0.246 0.000 2.720 219 R HA 0.777 5.119 4.340 0.004 0.000 0.272 219 R C -0.836 175.368 176.300 -0.160 0.000 0.991 219 R CA -0.796 55.213 56.100 -0.151 0.000 1.010 219 R CB 2.049 32.279 30.300 -0.116 0.000 1.141 219 R HN 0.393 nan 8.270 nan 0.000 0.494 220 V N 0.161 119.993 119.914 -0.137 0.000 2.815 220 V HA 0.791 4.914 4.120 0.004 0.000 0.314 220 V C 0.270 176.030 176.094 -0.555 0.000 1.064 220 V CA -0.749 61.397 62.300 -0.257 0.000 0.952 220 V CB 2.012 33.782 31.823 -0.089 0.000 1.020 220 V HN 0.955 nan 8.190 nan 0.000 0.439 221 G N 0.944 109.196 108.800 -0.913 0.000 2.642 221 G HA2 0.818 4.780 3.960 0.004 0.000 0.293 221 G HA3 0.818 4.780 3.960 0.004 0.000 0.293 221 G C -1.918 172.202 174.900 -1.300 0.000 1.341 221 G CA -0.484 43.864 45.100 -1.255 0.000 0.916 221 G HN 0.366 nan 8.290 nan 0.000 0.474 222 F N -0.760 119.062 119.950 -0.214 0.000 2.588 222 F HA 0.756 5.286 4.527 0.004 0.000 0.310 222 F C -0.164 175.930 175.800 0.490 0.000 1.082 222 F CA -0.900 57.257 58.000 0.262 0.000 0.929 222 F CB 2.831 42.000 39.000 0.282 0.000 1.254 222 F HN 0.375 nan 8.300 nan 0.000 0.455 223 V N 0.669 120.956 119.914 0.622 0.000 3.098 223 V HA 0.660 4.782 4.120 0.004 0.000 0.294 223 V C -0.765 175.599 176.094 0.451 0.000 1.351 223 V CA -0.888 61.627 62.300 0.358 0.000 0.999 223 V CB 2.510 34.292 31.823 -0.067 0.000 1.104 223 V HN 0.938 nan 8.190 nan 0.000 0.438 224 T N 0.591 115.388 114.554 0.405 0.000 2.907 224 T HA 0.989 5.341 4.350 0.004 0.000 0.290 224 T C -0.928 173.971 174.700 0.332 0.000 1.066 224 T CA -0.684 61.604 62.100 0.313 0.000 1.012 224 T CB 2.441 71.471 68.868 0.269 0.000 1.184 224 T HN 1.529 nan 8.240 nan 0.000 0.522 225 Y N -1.108 119.245 120.300 0.089 0.000 2.818 225 Y HA 0.668 5.220 4.550 0.004 0.000 0.341 225 Y C -0.259 175.673 175.900 0.053 0.000 1.283 225 Y CA -0.527 57.659 58.100 0.143 0.000 1.075 225 Y CB 0.541 39.079 38.460 0.129 0.000 1.370 225 Y HN 0.801 nan 8.280 nan 0.000 0.448 226 N N -0.015 118.876 118.700 0.318 0.000 2.408 226 N HA -0.072 4.670 4.740 0.004 0.000 0.332 226 N C 0.062 175.713 175.510 0.236 0.000 0.852 226 N CA 0.690 53.852 53.050 0.187 0.000 0.870 226 N CB -0.076 38.389 38.487 -0.036 0.000 2.360 226 N HN 0.960 nan 8.380 nan 0.000 1.062 227 K N -0.529 120.005 120.400 0.222 0.000 2.398 227 K HA 0.349 4.672 4.320 0.004 0.000 0.176 227 K C -1.142 175.540 176.600 0.136 0.000 1.870 227 K CA 0.175 56.562 56.287 0.166 0.000 1.038 227 K CB 1.137 33.714 32.500 0.129 0.000 1.717 227 K HN 0.009 nan 8.250 nan 0.000 0.546 228 V N 1.922 121.925 119.914 0.149 0.000 3.048 228 V HA 0.445 4.567 4.120 0.004 0.000 0.303 228 V C -1.678 174.451 176.094 0.058 0.000 1.214 228 V CA -1.051 61.286 62.300 0.062 0.000 0.984 228 V CB 2.081 33.904 31.823 -0.001 0.000 1.054 228 V HN 0.144 nan 8.190 nan 0.000 0.430 229 L N 4.218 125.449 121.223 0.014 0.000 2.375 229 L HA 0.582 4.924 4.340 0.004 0.000 0.271 229 L C -0.771 176.033 176.870 -0.110 0.000 1.107 229 L CA -0.119 54.770 54.840 0.083 0.000 0.806 229 L CB 1.052 43.222 42.059 0.186 0.000 1.146 229 L HN 0.810 nan 8.230 nan 0.000 0.447 230 H N 2.463 121.578 119.070 0.075 0.000 2.860 230 H HA 0.388 4.946 4.556 0.004 0.000 0.312 230 H C -0.715 174.404 175.328 -0.347 0.000 0.995 230 H CA -0.264 55.748 56.048 -0.061 0.000 1.311 230 H CB 0.866 30.614 29.762 -0.023 0.000 1.478 230 H HN 0.263 nan 8.280 nan 0.000 0.508 231 F N 1.991 121.782 119.950 -0.265 0.000 2.375 231 F HA 0.348 4.877 4.527 0.003 0.000 0.333 231 F C -0.354 175.276 175.800 -0.285 0.000 1.104 231 F CA -0.362 57.523 58.000 -0.193 0.000 1.149 231 F CB 0.822 39.718 39.000 -0.173 0.000 1.190 231 F HN 0.415 nan 8.300 nan 0.000 0.533 232 Y N 1.566 122.203 120.300 0.561 0.000 2.361 232 Y HA 0.253 4.805 4.550 0.004 0.000 0.337 232 Y C -0.137 176.052 175.900 0.482 0.000 0.965 232 Y CA -1.423 56.946 58.100 0.448 0.000 1.091 232 Y CB 1.194 39.878 38.460 0.373 0.000 1.182 232 Y HN 0.436 nan 8.280 nan 0.000 0.450 233 N N 2.026 121.020 118.700 0.491 0.000 2.456 233 N HA 0.434 5.176 4.740 0.004 0.000 0.288 233 N C -1.133 174.550 175.510 0.289 0.000 1.059 233 N CA -0.145 53.126 53.050 0.368 0.000 0.946 233 N CB 1.598 40.239 38.487 0.256 0.000 1.150 233 N HN 0.469 nan 8.380 nan 0.000 0.479 234 V N 3.451 123.511 119.914 0.244 0.000 2.793 234 V HA 0.127 4.249 4.120 0.004 0.000 0.361 234 V C 0.665 176.838 176.094 0.132 0.000 1.298 234 V CA -0.691 61.713 62.300 0.174 0.000 1.343 234 V CB -0.075 31.869 31.823 0.202 0.000 1.410 234 V HN 0.675 nan 8.190 nan 0.000 0.656 235 K N 1.134 121.606 120.400 0.120 0.000 2.323 235 K HA -0.047 4.276 4.320 0.004 0.000 0.259 235 K C 1.592 178.232 176.600 0.066 0.000 0.993 235 K CA 0.919 57.260 56.287 0.090 0.000 0.866 235 K CB 0.536 33.084 32.500 0.080 0.000 0.997 235 K HN 0.537 nan 8.250 nan 0.000 0.524 236 S N -0.394 115.336 115.700 0.051 0.000 2.595 236 S HA -0.058 4.414 4.470 0.004 0.000 0.235 236 S C -0.010 174.608 174.600 0.030 0.000 0.974 236 S CA 0.466 58.688 58.200 0.036 0.000 0.942 236 S CB -0.451 62.765 63.200 0.028 0.000 0.766 236 S HN 0.549 nan 8.310 nan 0.000 0.536 237 S N -0.420 115.301 115.700 0.034 0.000 2.461 237 S HA 0.634 5.106 4.470 0.004 0.000 0.245 237 S C -0.414 174.205 174.600 0.032 0.000 1.039 237 S CA -0.896 57.321 58.200 0.027 0.000 1.077 237 S CB 0.524 63.738 63.200 0.022 0.000 1.171 237 S HN 0.238 nan 8.310 nan 0.000 0.433 238 L N 1.469 122.710 121.223 0.029 0.000 3.481 238 L HA 0.472 4.814 4.340 0.004 0.000 0.338 238 L C 1.684 178.567 176.870 0.021 0.000 1.039 238 L CA 0.162 55.022 54.840 0.032 0.000 1.313 238 L CB -0.151 41.937 42.059 0.048 0.000 2.046 238 L HN 0.989 nan 8.230 nan 0.000 0.609 239 A N 0.060 122.888 122.820 0.013 0.000 3.420 239 A HA -0.239 4.083 4.320 0.004 0.000 0.269 239 A C 0.386 177.969 177.584 -0.002 0.000 1.122 239 A CA 1.728 53.766 52.037 0.002 0.000 1.023 239 A CB -1.081 17.919 19.000 0.001 0.000 1.099 239 A HN 0.468 nan 8.150 nan 0.000 0.860 240 Q N -1.609 118.196 119.800 0.009 0.000 2.352 240 Q HA 0.449 4.791 4.340 0.004 0.000 0.270 240 Q C -3.223 172.796 176.000 0.032 0.000 1.006 240 Q CA -1.132 54.677 55.803 0.009 0.000 0.880 240 Q CB 2.681 31.427 28.738 0.013 0.000 1.392 240 Q HN 0.412 nan 8.270 nan 0.000 0.401 241 P HA 0.217 nan 4.420 nan 0.000 0.293 241 P C -0.803 176.581 177.300 0.139 0.000 1.313 241 P CA -0.315 62.831 63.100 0.077 0.000 0.787 241 P CB 0.994 32.699 31.700 0.009 0.000 0.910 242 Q N 2.482 122.389 119.800 0.178 0.000 2.259 242 Q HA 0.520 4.862 4.340 0.004 0.000 0.246 242 Q C 0.016 176.185 176.000 0.281 0.000 0.920 242 Q CA -0.353 55.561 55.803 0.185 0.000 0.895 242 Q CB 1.572 30.396 28.738 0.144 0.000 1.220 242 Q HN 0.504 nan 8.270 nan 0.000 0.439 243 M N 2.409 122.156 119.600 0.245 0.000 2.528 243 M HA 0.509 4.992 4.480 0.004 0.000 0.321 243 M C -1.638 174.746 176.300 0.141 0.000 1.153 243 M CA -0.579 54.868 55.300 0.246 0.000 0.951 243 M CB 1.502 34.288 32.600 0.310 0.000 1.705 243 M HN 0.668 nan 8.290 nan 0.000 0.451 244 M N 4.655 124.312 119.600 0.095 0.000 2.067 244 M HA 0.340 4.822 4.480 0.004 0.000 0.286 244 M C -1.279 175.040 176.300 0.032 0.000 0.922 244 M CA -0.747 54.582 55.300 0.048 0.000 0.937 244 M CB 1.739 34.342 32.600 0.004 0.000 1.550 244 M HN 0.310 nan 8.290 nan 0.000 0.433 245 V N 3.891 123.808 119.914 0.005 0.000 2.455 245 V HA 0.178 4.300 4.120 0.004 0.000 0.273 245 V C 0.246 176.301 176.094 -0.065 0.000 1.045 245 V CA -0.497 61.755 62.300 -0.079 0.000 0.976 245 V CB 1.287 33.057 31.823 -0.089 0.000 0.993 245 V HN 0.580 nan 8.190 nan 0.000 0.475 246 V N 4.793 124.675 119.914 -0.053 0.000 2.218 246 V HA 0.114 4.237 4.120 0.004 0.000 0.261 246 V C 1.225 177.308 176.094 -0.019 0.000 1.142 246 V CA 0.128 62.405 62.300 -0.039 0.000 0.965 246 V CB 0.472 32.277 31.823 -0.031 0.000 1.190 246 V HN 1.001 nan 8.190 nan 0.000 0.478 247 S N 1.366 117.056 115.700 -0.017 0.000 2.595 247 S HA -0.059 4.413 4.470 0.004 0.000 0.235 247 S C 0.725 175.335 174.600 0.016 0.000 0.974 247 S CA 0.350 58.550 58.200 -0.000 0.000 0.942 247 S CB -0.317 62.888 63.200 0.007 0.000 0.766 247 S HN 0.753 nan 8.310 nan 0.000 0.536 248 D N 2.757 123.171 120.400 0.024 0.000 2.482 248 D HA 0.148 4.790 4.640 0.004 0.000 0.244 248 D C 0.203 176.520 176.300 0.029 0.000 1.242 248 D CA 0.151 54.172 54.000 0.036 0.000 1.097 248 D CB -0.100 40.744 40.800 0.073 0.000 1.109 248 D HN 0.028 nan 8.370 nan 0.000 0.510 249 V N 1.273 121.201 119.914 0.023 0.000 3.441 249 V HA 0.368 4.490 4.120 0.004 0.000 0.300 249 V C 1.597 177.699 176.094 0.012 0.000 1.091 249 V CA 0.091 62.404 62.300 0.021 0.000 1.099 249 V CB 0.934 32.772 31.823 0.024 0.000 1.138 249 V HN 0.730 nan 8.190 nan 0.000 0.471 250 A N 1.689 124.512 122.820 0.006 0.000 5.042 250 A HA -0.352 3.970 4.320 0.004 0.000 0.334 250 A C 0.904 178.487 177.584 -0.002 0.000 1.811 250 A CA 1.736 53.772 52.037 -0.002 0.000 0.704 250 A CB -2.170 16.829 19.000 -0.002 0.000 1.410 250 A HN 1.086 nan 8.150 nan 0.000 0.386 251 D N 0.649 121.050 120.400 0.001 0.000 2.385 251 D HA 0.351 4.993 4.640 0.004 0.000 0.260 251 D C 1.430 177.757 176.300 0.045 0.000 1.326 251 D CA 0.474 54.480 54.000 0.010 0.000 1.023 251 D CB -0.001 40.792 40.800 -0.012 0.000 1.083 251 D HN 0.335 nan 8.370 nan 0.000 0.517 252 M N 3.030 122.654 119.600 0.039 0.000 2.163 252 M HA -0.150 4.333 4.480 0.004 0.000 0.258 252 M C 1.201 177.561 176.300 0.100 0.000 1.071 252 M CA 1.122 56.446 55.300 0.040 0.000 1.093 252 M CB -0.929 31.674 32.600 0.005 0.000 1.285 252 M HN 0.715 nan 8.290 nan 0.000 0.420 253 F N 0.384 120.275 119.950 -0.097 0.000 3.039 253 F HA -0.174 4.355 4.527 0.004 0.000 0.287 253 F C -0.394 175.293 175.800 -0.188 0.000 0.956 253 F CA -0.464 57.465 58.000 -0.118 0.000 0.971 253 F CB -1.679 37.262 39.000 -0.099 0.000 0.943 253 F HN -0.119 nan 8.300 nan 0.000 0.766 254 V N 4.074 123.792 119.914 -0.327 0.000 2.678 254 V HA -0.016 4.106 4.120 0.004 0.000 0.304 254 V C -1.121 174.510 176.094 -0.772 0.000 1.086 254 V CA -0.140 61.818 62.300 -0.570 0.000 1.246 254 V CB -0.165 31.428 31.823 -0.384 0.000 0.861 254 V HN 0.401 nan 8.190 nan 0.000 0.491 255 P HA 0.115 nan 4.420 nan 0.000 0.265 255 P C -0.476 176.501 177.300 -0.539 0.000 1.222 255 P CA -0.233 62.426 63.100 -0.735 0.000 0.767 255 P CB 0.271 31.587 31.700 -0.639 0.000 0.801 256 L N 4.181 125.155 121.223 -0.416 0.000 2.565 256 L HA 0.249 4.591 4.340 0.004 0.000 0.275 256 L C 0.553 177.320 176.870 -0.171 0.000 1.137 256 L CA -0.074 54.619 54.840 -0.245 0.000 0.915 256 L CB -0.641 41.316 42.059 -0.170 0.000 1.232 256 L HN 0.266 nan 8.230 nan 0.000 0.473 257 L N 2.518 123.671 121.223 -0.116 0.000 2.370 257 L HA 0.505 4.847 4.340 0.004 0.000 0.266 257 L C 0.378 177.290 176.870 0.070 0.000 1.002 257 L CA 0.160 54.990 54.840 -0.017 0.000 0.818 257 L CB 2.045 44.110 42.059 0.009 0.000 1.325 257 L HN 0.407 nan 8.230 nan 0.000 0.418 258 D N 2.058 122.508 120.400 0.084 0.000 2.338 258 D HA 0.081 4.723 4.640 0.004 0.000 0.208 258 D C 1.584 177.969 176.300 0.141 0.000 0.997 258 D CA 1.071 55.130 54.000 0.099 0.000 0.880 258 D CB 0.441 41.278 40.800 0.062 0.000 0.980 258 D HN 0.848 nan 8.370 nan 0.000 0.509 259 G N 0.785 109.681 108.800 0.160 0.000 2.450 259 G HA2 -0.210 3.752 3.960 0.004 0.000 0.220 259 G HA3 -0.210 3.752 3.960 0.004 0.000 0.220 259 G C 0.635 175.685 174.900 0.250 0.000 1.130 259 G CA 0.012 45.222 45.100 0.183 0.000 0.760 259 G HN 0.110 nan 8.290 nan 0.000 0.557 260 F N 0.588 120.616 119.950 0.131 0.000 2.545 260 F HA 0.355 4.884 4.527 0.004 0.000 0.348 260 F C 1.036 176.895 175.800 0.098 0.000 1.163 260 F CA -0.594 57.497 58.000 0.152 0.000 1.331 260 F CB 0.300 39.400 39.000 0.166 0.000 1.138 260 F HN 0.084 nan 8.300 nan 0.000 0.602 261 L N 4.074 125.099 121.223 -0.330 0.000 3.181 261 L HA -0.154 4.189 4.340 0.004 0.000 0.603 261 L C -0.747 176.087 176.870 -0.060 0.000 1.006 261 L CA 0.205 54.921 54.840 -0.206 0.000 1.280 261 L CB -1.736 40.292 42.059 -0.052 0.000 1.439 261 L HN 0.531 nan 8.230 nan 0.000 0.722 262 V N -0.408 119.474 119.914 -0.054 0.000 3.158 262 V HA 0.531 4.653 4.120 0.004 0.000 0.311 262 V C 0.156 176.252 176.094 0.003 0.000 1.181 262 V CA -0.862 61.442 62.300 0.008 0.000 1.054 262 V CB 2.074 33.932 31.823 0.059 0.000 1.085 262 V HN 0.607 nan 8.190 nan 0.000 0.446 263 N N 0.012 118.719 118.700 0.011 0.000 2.458 263 N HA 0.260 5.002 4.740 0.004 0.000 0.270 263 N C 0.793 176.318 175.510 0.025 0.000 1.102 263 N CA -0.371 52.681 53.050 0.003 0.000 0.967 263 N CB 1.711 40.196 38.487 -0.005 0.000 1.078 263 N HN 0.599 nan 8.380 nan 0.000 0.471 264 V N 3.579 123.511 119.914 0.029 0.000 2.688 264 V HA -0.215 3.907 4.120 0.004 0.000 0.256 264 V C 1.525 177.626 176.094 0.012 0.000 1.084 264 V CA 1.584 63.911 62.300 0.046 0.000 1.103 264 V CB -0.741 31.111 31.823 0.048 0.000 0.688 264 V HN 0.770 nan 8.190 nan 0.000 0.480 265 N N -0.311 118.387 118.700 -0.004 0.000 2.409 265 N HA -0.037 4.706 4.740 0.004 0.000 0.174 265 N C 1.605 177.110 175.510 -0.008 0.000 1.037 265 N CA 0.596 53.636 53.050 -0.016 0.000 0.898 265 N CB 0.116 38.588 38.487 -0.025 0.000 1.010 265 N HN 0.566 nan 8.380 nan 0.000 0.445 266 E N 0.306 120.507 120.200 0.001 0.000 2.385 266 E HA 0.126 4.478 4.350 0.004 0.000 0.194 266 E C 0.301 176.908 176.600 0.012 0.000 1.013 266 E CA 0.403 56.806 56.400 0.005 0.000 0.866 266 E CB 0.414 30.119 29.700 0.008 0.000 0.832 266 E HN 0.043 nan 8.360 nan 0.000 0.500 267 S N 0.444 116.157 115.700 0.021 0.000 2.711 267 S HA 0.176 4.648 4.470 0.004 0.000 0.247 267 S C 0.973 175.581 174.600 0.015 0.000 1.079 267 S CA -0.381 57.836 58.200 0.028 0.000 1.050 267 S CB 0.501 63.736 63.200 0.059 0.000 0.885 267 S HN 0.127 nan 8.310 nan 0.000 0.498 268 R N 2.052 122.551 120.500 -0.001 0.000 2.105 268 R HA -0.081 4.261 4.340 0.004 0.000 0.239 268 R C 2.060 178.340 176.300 -0.033 0.000 1.135 268 R CA 1.805 57.894 56.100 -0.018 0.000 0.967 268 R CB -0.305 29.979 30.300 -0.026 0.000 0.861 268 R HN 0.428 nan 8.270 nan 0.000 0.442 269 A N -0.140 122.663 122.820 -0.027 0.000 1.874 269 A HA -0.031 4.292 4.320 0.004 0.000 0.214 269 A C 2.210 179.767 177.584 -0.045 0.000 1.189 269 A CA 1.318 53.334 52.037 -0.035 0.000 0.615 269 A CB -0.425 18.560 19.000 -0.025 0.000 0.830 269 A HN 0.197 nan 8.150 nan 0.000 0.443 270 V N 0.466 120.362 119.914 -0.030 0.000 2.490 270 V HA -0.248 3.874 4.120 0.004 0.000 0.250 270 V C 2.368 178.415 176.094 -0.078 0.000 1.061 270 V CA 1.850 64.129 62.300 -0.034 0.000 1.064 270 V CB -0.794 31.031 31.823 0.003 0.000 0.670 270 V HN 0.537 nan 8.190 nan 0.000 0.461 271 I N 0.130 120.648 120.570 -0.086 0.000 2.202 271 I HA -0.200 3.973 4.170 0.004 0.000 0.242 271 I C 2.588 178.565 176.117 -0.234 0.000 1.091 271 I CA 1.730 62.916 61.300 -0.189 0.000 1.368 271 I CB -0.718 37.213 38.000 -0.114 0.000 1.058 271 I HN 0.291 nan 8.210 nan 0.000 0.410 272 T N -0.095 114.368 114.554 -0.153 0.000 2.699 272 T HA -0.231 4.121 4.350 0.004 0.000 0.268 272 T C 2.095 176.701 174.700 -0.157 0.000 1.036 272 T CA 1.895 63.907 62.100 -0.146 0.000 1.147 272 T CB -0.308 68.500 68.868 -0.100 0.000 0.862 272 T HN 0.310 nan 8.240 nan 0.000 0.446 273 S N 0.944 116.562 115.700 -0.136 0.000 2.365 273 S HA -0.140 4.332 4.470 0.004 0.000 0.221 273 S C 2.032 176.527 174.600 -0.176 0.000 1.037 273 S CA 1.502 59.625 58.200 -0.128 0.000 1.060 273 S CB -0.684 62.459 63.200 -0.095 0.000 0.974 273 S HN 0.361 nan 8.310 nan 0.000 0.427 274 L N 1.764 122.852 121.223 -0.225 0.000 2.064 274 L HA -0.105 4.238 4.340 0.004 0.000 0.216 274 L C 2.080 178.747 176.870 -0.338 0.000 1.077 274 L CA 1.907 56.554 54.840 -0.321 0.000 0.766 274 L CB -0.728 41.074 42.059 -0.430 0.000 0.890 274 L HN 0.469 nan 8.230 nan 0.000 0.435 275 L N -0.859 120.168 121.223 -0.327 0.000 2.362 275 L HA -0.118 4.225 4.340 0.004 0.000 0.219 275 L C 1.384 178.132 176.870 -0.203 0.000 1.134 275 L CA 0.788 55.459 54.840 -0.282 0.000 0.807 275 L CB -0.560 41.330 42.059 -0.281 0.000 0.927 275 L HN 0.339 nan 8.230 nan 0.000 0.447 276 D N -1.271 119.023 120.400 -0.178 0.000 2.369 276 D HA -0.059 4.584 4.640 0.004 0.000 0.211 276 D C 1.744 177.964 176.300 -0.132 0.000 1.077 276 D CA 0.305 54.223 54.000 -0.137 0.000 0.842 276 D CB 0.783 41.514 40.800 -0.115 0.000 0.947 276 D HN 0.407 nan 8.370 nan 0.000 0.509 277 Q N 0.223 119.928 119.800 -0.158 0.000 2.481 277 Q HA 0.083 4.425 4.340 0.004 0.000 0.219 277 Q C 2.215 178.117 176.000 -0.164 0.000 0.920 277 Q CA 0.023 55.733 55.803 -0.154 0.000 0.915 277 Q CB 0.545 29.187 28.738 -0.161 0.000 1.057 277 Q HN 0.082 nan 8.270 nan 0.000 0.581 278 I N 2.052 122.516 120.570 -0.177 0.000 2.113 278 I HA -0.261 3.911 4.170 0.004 0.000 0.242 278 I C -0.803 175.306 176.117 -0.014 0.000 1.064 278 I CA 1.410 62.655 61.300 -0.092 0.000 1.320 278 I CB -1.282 36.660 38.000 -0.097 0.000 1.028 278 I HN 0.235 nan 8.210 nan 0.000 0.406 279 P HA -0.166 nan 4.420 nan 0.000 0.217 279 P C 1.391 178.670 177.300 -0.034 0.000 1.148 279 P CA 1.369 64.445 63.100 -0.039 0.000 0.828 279 P CB 0.002 31.655 31.700 -0.077 0.000 0.783 280 E N -1.408 118.747 120.200 -0.075 0.000 2.086 280 E HA -0.040 4.312 4.350 0.004 0.000 0.190 280 E C 1.903 178.421 176.600 -0.136 0.000 0.975 280 E CA 0.731 57.080 56.400 -0.085 0.000 0.813 280 E CB -0.799 28.846 29.700 -0.092 0.000 0.768 280 E HN 0.186 nan 8.360 nan 0.000 0.457 281 M N -0.108 119.348 119.600 -0.239 0.000 2.255 281 M HA -0.141 4.342 4.480 0.004 0.000 0.259 281 M C -0.049 175.843 176.300 -0.681 0.000 1.071 281 M CA 1.337 56.340 55.300 -0.496 0.000 1.074 281 M CB 0.015 32.201 32.600 -0.690 0.000 1.384 281 M HN -0.122 nan 8.290 nan 0.000 0.415 289 E N 2.605 122.854 120.200 0.080 0.000 2.283 289 E HA 0.521 4.874 4.350 0.004 0.000 0.278 289 E C -0.499 176.179 176.600 0.129 0.000 1.027 289 E CA -0.040 56.418 56.400 0.098 0.000 0.843 289 E CB 0.862 30.615 29.700 0.088 0.000 1.062 289 E HN 0.419 nan 8.360 nan 0.000 0.401 290 T N -0.316 114.343 114.554 0.175 0.000 2.900 290 T HA 0.545 4.898 4.350 0.004 0.000 0.303 290 T C -0.547 174.343 174.700 0.317 0.000 1.142 290 T CA -0.990 61.276 62.100 0.277 0.000 1.007 290 T CB 1.138 70.207 68.868 0.334 0.000 1.156 290 T HN 0.277 nan 8.240 nan 0.000 0.490 291 V N 0.627 120.748 119.914 0.345 0.000 2.513 291 V HA 0.794 4.916 4.120 0.004 0.000 0.299 291 V C 0.041 176.246 176.094 0.185 0.000 1.035 291 V CA -0.759 61.676 62.300 0.225 0.000 0.889 291 V CB 1.334 33.227 31.823 0.116 0.000 0.988 291 V HN 0.914 nan 8.190 nan 0.000 0.440 292 F N 2.829 122.736 119.950 -0.072 0.000 2.485 292 F HA 0.232 4.761 4.527 0.004 0.000 0.274 292 F C 1.928 177.571 175.800 -0.262 0.000 0.963 292 F CA 1.832 59.688 58.000 -0.240 0.000 1.169 292 F CB 0.154 39.036 39.000 -0.197 0.000 1.145 292 F HN 0.338 nan 8.300 nan 0.000 0.682 293 V N 2.073 121.917 119.914 -0.117 0.000 2.250 293 V HA -0.289 3.833 4.120 0.004 0.000 0.250 293 V C -0.636 175.300 176.094 -0.263 0.000 1.060 293 V CA 2.720 64.847 62.300 -0.289 0.000 1.030 293 V CB -1.991 29.650 31.823 -0.303 0.000 0.643 293 V HN 0.216 nan 8.190 nan 0.000 0.445 294 P HA -0.115 nan 4.420 nan 0.000 0.220 294 P C 1.721 178.911 177.300 -0.184 0.000 1.144 294 P CA 1.172 64.191 63.100 -0.136 0.000 0.800 294 P CB -0.094 31.564 31.700 -0.069 0.000 0.772 295 V N -0.570 119.147 119.914 -0.329 0.000 2.270 295 V HA -0.219 3.904 4.120 0.004 0.000 0.245 295 V C 2.318 178.216 176.094 -0.326 0.000 1.043 295 V CA 1.606 63.653 62.300 -0.422 0.000 1.014 295 V CB -1.081 30.255 31.823 -0.813 0.000 0.645 295 V HN 0.054 nan 8.190 nan 0.000 0.447 296 I N -0.144 120.190 120.570 -0.394 0.000 2.163 296 I HA -0.316 3.856 4.170 0.004 0.000 0.243 296 I C 2.780 178.793 176.117 -0.175 0.000 1.085 296 I CA 1.669 62.793 61.300 -0.293 0.000 1.347 296 I CB -0.496 37.301 38.000 -0.339 0.000 1.044 296 I HN 0.390 nan 8.210 nan 0.000 0.408 297 Q N 0.507 120.210 119.800 -0.162 0.000 2.181 297 Q HA -0.228 4.114 4.340 0.004 0.000 0.205 297 Q C 2.440 178.413 176.000 -0.045 0.000 0.980 297 Q CA 1.685 57.429 55.803 -0.097 0.000 0.862 297 Q CB -0.275 28.408 28.738 -0.091 0.000 0.905 297 Q HN 0.615 nan 8.270 nan 0.000 0.429 298 A N 0.941 123.745 122.820 -0.027 0.000 1.858 298 A HA -0.120 4.203 4.320 0.004 0.000 0.216 298 A C 2.296 179.935 177.584 0.092 0.000 1.190 298 A CA 1.737 53.832 52.037 0.096 0.000 0.617 298 A CB -1.171 17.911 19.000 0.137 0.000 0.827 298 A HN 0.476 nan 8.150 nan 0.000 0.443 299 G N -0.941 107.873 108.800 0.024 0.000 2.404 299 G HA2 -0.208 3.755 3.960 0.004 0.000 0.215 299 G HA3 -0.208 3.755 3.960 0.004 0.000 0.215 299 G C 1.618 176.550 174.900 0.053 0.000 1.174 299 G CA 1.203 46.344 45.100 0.068 0.000 0.780 299 G HN 0.407 nan 8.290 nan 0.000 0.537 300 M N 0.617 120.216 119.600 -0.002 0.000 2.080 300 M HA -0.100 4.382 4.480 0.004 0.000 0.260 300 M C 2.322 178.623 176.300 0.003 0.000 1.068 300 M CA 2.292 57.586 55.300 -0.010 0.000 1.109 300 M CB -0.502 32.071 32.600 -0.045 0.000 1.342 300 M HN 0.251 nan 8.290 nan 0.000 0.405 301 E N 0.333 120.531 120.200 -0.004 0.000 2.118 301 E HA -0.095 4.257 4.350 0.004 0.000 0.195 301 E C 1.904 178.503 176.600 -0.002 0.000 0.992 301 E CA 1.994 58.387 56.400 -0.013 0.000 0.804 301 E CB -0.404 29.278 29.700 -0.029 0.000 0.741 301 E HN 0.598 nan 8.360 nan 0.000 0.458 302 A N 0.144 122.985 122.820 0.035 0.000 1.902 302 A HA -0.141 4.181 4.320 0.004 0.000 0.217 302 A C 2.258 179.902 177.584 0.101 0.000 1.181 302 A CA 1.411 53.492 52.037 0.073 0.000 0.623 302 A CB -0.667 18.444 19.000 0.184 0.000 0.818 302 A HN 0.326 nan 8.150 nan 0.000 0.443 303 L N -0.847 120.428 121.223 0.088 0.000 2.141 303 L HA -0.147 4.196 4.340 0.004 0.000 0.209 303 L C 2.565 179.455 176.870 0.034 0.000 1.094 303 L CA 1.656 56.534 54.840 0.064 0.000 0.763 303 L CB -0.383 41.707 42.059 0.052 0.000 0.908 303 L HN 0.464 nan 8.230 nan 0.000 0.437 304 K N 0.703 121.116 120.400 0.020 0.000 1.985 304 K HA -0.198 4.125 4.320 0.004 0.000 0.210 304 K C 2.192 178.795 176.600 0.005 0.000 1.047 304 K CA 1.511 57.802 56.287 0.006 0.000 0.932 304 K CB -0.159 32.337 32.500 -0.005 0.000 0.716 304 K HN 0.228 nan 8.250 nan 0.000 0.439 305 A N 0.915 123.736 122.820 0.001 0.000 1.940 305 A HA -0.125 4.198 4.320 0.004 0.000 0.219 305 A C 2.266 179.857 177.584 0.012 0.000 1.176 305 A CA 1.974 54.009 52.037 -0.004 0.000 0.631 305 A CB -0.777 18.208 19.000 -0.026 0.000 0.814 305 A HN 0.522 nan 8.150 nan 0.000 0.446 306 A N -1.320 121.518 122.820 0.030 0.000 2.066 306 A HA 0.104 4.427 4.320 0.004 0.000 0.218 306 A C 0.840 178.434 177.584 0.018 0.000 1.157 306 A CA 1.131 53.190 52.037 0.035 0.000 0.670 306 A CB -0.423 18.611 19.000 0.056 0.000 0.804 306 A HN 0.624 nan 8.150 nan 0.000 0.453 307 E N -1.737 118.471 120.200 0.013 0.000 2.416 307 E HA -0.199 4.153 4.350 0.004 0.000 0.249 307 E C -0.228 176.374 176.600 0.004 0.000 1.124 307 E CA 0.350 56.755 56.400 0.008 0.000 0.732 307 E CB -2.529 27.176 29.700 0.008 0.000 1.286 307 E HN 0.981 nan 8.360 nan 0.000 0.394 308 C N -2.883 116.416 119.300 -0.001 0.000 3.173 308 C HA 0.902 5.364 4.460 0.004 0.000 0.310 308 C C 0.586 175.566 174.990 -0.017 0.000 1.306 308 C CA -0.320 58.685 59.018 -0.022 0.000 1.426 308 C CB 1.505 29.215 27.740 -0.051 0.000 1.800 308 C HN 0.443 nan 8.230 nan 0.000 0.470 309 A N 1.144 123.947 122.820 -0.029 0.000 2.242 309 A HA 1.041 5.363 4.320 0.004 0.000 0.304 309 A C 0.523 178.094 177.584 -0.022 0.000 1.100 309 A CA 0.322 52.370 52.037 0.019 0.000 0.860 309 A CB 0.502 19.558 19.000 0.094 0.000 1.168 309 A HN 2.757 nan 8.150 nan 0.000 0.503 310 G N -0.829 108.048 108.800 0.128 0.000 2.340 310 G HA2 0.504 4.466 3.960 0.004 0.000 0.299 310 G HA3 0.504 4.466 3.960 0.004 0.000 0.299 310 G C -1.631 173.476 174.900 0.344 0.000 1.291 310 G CA -0.814 44.412 45.100 0.210 0.000 0.841 310 G HN 0.695 nan 8.290 nan 0.000 0.500 311 K N -0.492 120.139 120.400 0.385 0.000 2.328 311 K HA 0.740 5.062 4.320 0.004 0.000 0.246 311 K C -1.036 175.449 176.600 -0.192 0.000 0.955 311 K CA -0.722 55.570 56.287 0.008 0.000 0.817 311 K CB 2.539 34.888 32.500 -0.251 0.000 1.208 311 K HN 0.302 nan 8.250 nan 0.000 0.432 312 L N 2.734 123.715 121.223 -0.403 0.000 2.356 312 L HA 0.483 4.825 4.340 0.004 0.000 0.277 312 L C -1.130 175.453 176.870 -0.478 0.000 0.996 312 L CA -0.798 53.864 54.840 -0.296 0.000 0.822 312 L CB 0.866 42.831 42.059 -0.158 0.000 1.256 312 L HN 0.469 nan 8.230 nan 0.000 0.413 313 F N 3.975 123.850 119.950 -0.125 0.000 2.334 313 F HA 0.377 4.907 4.527 0.004 0.000 0.367 313 F C -0.023 175.719 175.800 -0.097 0.000 1.115 313 F CA -0.518 57.456 58.000 -0.043 0.000 1.116 313 F CB 0.977 40.081 39.000 0.173 0.000 1.230 313 F HN 0.181 nan 8.300 nan 0.000 0.484 314 L N 4.494 125.711 121.223 -0.008 0.000 2.289 314 L HA 0.391 4.733 4.340 0.004 0.000 0.285 314 L C -0.856 176.082 176.870 0.113 0.000 1.049 314 L CA -0.400 54.497 54.840 0.096 0.000 0.804 314 L CB 1.017 43.123 42.059 0.079 0.000 1.195 314 L HN 0.456 nan 8.230 nan 0.000 0.428 315 F N 2.567 122.893 119.950 0.627 0.000 2.451 315 F HA 0.316 4.846 4.527 0.004 0.000 0.367 315 F C 0.361 176.462 175.800 0.502 0.000 1.100 315 F CA -0.671 57.674 58.000 0.576 0.000 1.171 315 F CB 0.443 39.630 39.000 0.311 0.000 1.405 315 F HN 0.455 nan 8.300 nan 0.000 0.482 316 H N 0.080 119.514 119.070 0.607 0.000 2.567 316 H HA 0.579 5.137 4.556 0.004 0.000 0.345 316 H C 0.865 176.447 175.328 0.423 0.000 1.169 316 H CA 0.066 56.415 56.048 0.500 0.000 1.227 316 H CB 1.814 31.927 29.762 0.586 0.000 1.607 316 H HN 0.504 nan 8.280 nan 0.000 0.534 317 T N -1.748 112.734 114.554 -0.119 0.000 3.048 317 T HA 0.212 4.564 4.350 0.004 0.000 0.254 317 T C -0.052 174.620 174.700 -0.046 0.000 0.942 317 T CA 0.345 62.446 62.100 0.002 0.000 0.931 317 T CB -0.224 68.570 68.868 -0.122 0.000 1.220 317 T HN 0.494 nan 8.240 nan 0.000 0.503 318 S N 1.219 116.788 115.700 -0.218 0.000 2.599 318 S HA 0.751 5.224 4.470 0.004 0.000 0.294 318 S C -0.763 173.878 174.600 0.067 0.000 1.094 318 S CA -0.979 57.191 58.200 -0.049 0.000 0.931 318 S CB 1.730 64.915 63.200 -0.025 0.000 1.093 318 S HN 0.388 nan 8.310 nan 0.000 0.488 319 L N 2.702 123.967 121.223 0.071 0.000 2.543 319 L HA 0.289 4.632 4.340 0.004 0.000 0.285 319 L C -2.191 174.772 176.870 0.156 0.000 1.236 319 L CA -0.934 53.948 54.840 0.070 0.000 0.871 319 L CB -0.062 42.003 42.059 0.010 0.000 1.121 319 L HN 0.535 nan 8.230 nan 0.000 0.501 320 P HA 0.070 nan 4.420 nan 0.000 0.266 320 P C 0.136 177.521 177.300 0.142 0.000 1.586 320 P CA -0.115 63.112 63.100 0.212 0.000 1.088 320 P CB 0.140 31.974 31.700 0.223 0.000 1.584 321 I N -0.294 120.352 120.570 0.128 0.000 3.976 321 I HA 0.302 4.475 4.170 0.004 0.000 0.337 321 I C 0.657 176.831 176.117 0.095 0.000 1.359 321 I CA -0.965 60.394 61.300 0.098 0.000 1.098 321 I CB -1.080 36.970 38.000 0.083 0.000 1.027 321 I HN -0.025 nan 8.210 nan 0.000 0.394 322 A N 1.904 124.792 122.820 0.113 0.000 2.297 322 A HA 0.126 4.448 4.320 0.004 0.000 0.279 322 A C 0.369 178.003 177.584 0.083 0.000 1.219 322 A CA 0.173 52.271 52.037 0.101 0.000 0.827 322 A CB -0.094 18.980 19.000 0.123 0.000 1.129 322 A HN 0.370 nan 8.150 nan 0.000 0.511 323 E N -1.089 119.155 120.200 0.072 0.000 2.731 323 E HA 0.568 4.921 4.350 0.004 0.000 0.220 323 E C -0.517 176.115 176.600 0.053 0.000 1.087 323 E CA 0.492 56.927 56.400 0.058 0.000 1.020 323 E CB 0.067 29.796 29.700 0.048 0.000 1.339 323 E HN 0.906 nan 8.360 nan 0.000 0.444 324 A N 2.721 125.574 122.820 0.055 0.000 2.593 324 A HA 0.731 5.053 4.320 0.004 0.000 0.290 324 A C -2.670 174.935 177.584 0.034 0.000 1.126 324 A CA -1.513 50.549 52.037 0.041 0.000 0.695 324 A CB 1.042 20.070 19.000 0.046 0.000 1.290 324 A HN 0.324 nan 8.150 nan 0.000 0.414 325 P HA 0.295 nan 4.420 nan 0.000 0.263 325 P C 0.717 178.008 177.300 -0.015 0.000 1.195 325 P CA 1.784 64.881 63.100 -0.005 0.000 0.762 325 P CB 0.520 32.202 31.700 -0.031 0.000 0.799 326 G N 2.375 111.188 108.800 0.022 0.000 2.130 326 G HA2 -0.188 3.775 3.960 0.004 0.000 0.216 326 G HA3 -0.188 3.775 3.960 0.004 0.000 0.216 326 G C 0.023 175.035 174.900 0.187 0.000 0.999 326 G CA 0.002 45.145 45.100 0.070 0.000 0.686 326 G HN 0.811 nan 8.290 nan 0.000 0.515 327 K N 0.131 120.612 120.400 0.134 0.000 2.237 327 K HA 0.721 5.043 4.320 0.004 0.000 0.270 327 K C 0.291 176.964 176.600 0.122 0.000 1.015 327 K CA -0.553 55.810 56.287 0.127 0.000 0.949 327 K CB 1.275 33.831 32.500 0.094 0.000 0.976 327 K HN 0.240 nan 8.250 nan 0.000 0.472 328 L N 1.568 122.849 121.223 0.096 0.000 2.304 328 L HA 0.385 4.727 4.340 0.004 0.000 0.268 328 L C 0.895 177.800 176.870 0.058 0.000 1.010 328 L CA -1.322 53.554 54.840 0.059 0.000 0.813 328 L CB 1.598 43.661 42.059 0.006 0.000 1.315 328 L HN 0.699 nan 8.230 nan 0.000 0.445 329 K N 0.586 121.019 120.400 0.055 0.000 2.564 329 K HA 0.183 4.505 4.320 0.004 0.000 0.204 329 K C 0.609 177.262 176.600 0.089 0.000 1.073 329 K CA 0.431 56.755 56.287 0.062 0.000 1.137 329 K CB -0.060 32.470 32.500 0.050 0.000 1.490 329 K HN 0.604 nan 8.250 nan 0.000 0.466 330 N N 0.077 118.845 118.700 0.114 0.000 1.926 330 N HA -0.068 4.675 4.740 0.004 0.000 0.236 330 N C -1.261 174.312 175.510 0.105 0.000 1.483 330 N CA 0.129 53.294 53.050 0.190 0.000 0.857 330 N CB 0.388 38.944 38.487 0.115 0.000 1.084 330 N HN 0.211 nan 8.380 nan 0.000 0.647 331 R N 1.709 122.246 120.500 0.062 0.000 4.082 331 R HA -0.002 4.340 4.340 0.004 0.000 0.210 331 R C -0.986 175.241 176.300 -0.123 0.000 0.488 331 R CA 0.784 56.878 56.100 -0.010 0.000 0.946 331 R CB -0.856 29.454 30.300 0.017 0.000 0.976 331 R HN 0.113 nan 8.270 nan 0.000 0.301 332 D N 1.726 121.990 120.400 -0.227 0.000 2.795 332 D HA 0.280 4.922 4.640 0.004 0.000 0.206 332 D C -1.960 174.188 176.300 -0.254 0.000 1.278 332 D CA -0.526 53.241 54.000 -0.389 0.000 0.839 332 D CB 1.281 41.523 40.800 -0.931 0.000 1.700 332 D HN 0.655 nan 8.370 nan 0.000 0.549 333 D N 0.485 120.771 120.400 -0.190 0.000 2.706 333 D HA 0.295 4.937 4.640 0.004 0.000 0.227 333 D C 0.127 176.372 176.300 -0.092 0.000 1.233 333 D CA -0.776 53.149 54.000 -0.124 0.000 0.768 333 D CB 1.066 41.815 40.800 -0.085 0.000 1.490 333 D HN -0.007 nan 8.370 nan 0.000 0.458 334 R N 1.031 121.491 120.500 -0.067 0.000 2.307 334 R HA 0.104 4.447 4.340 0.004 0.000 0.199 334 R C 1.041 177.325 176.300 -0.026 0.000 1.000 334 R CA 0.384 56.459 56.100 -0.042 0.000 1.023 334 R CB -0.522 29.760 30.300 -0.030 0.000 0.908 334 R HN 0.558 nan 8.270 nan 0.000 0.473 335 K N 0.352 120.734 120.400 -0.030 0.000 2.025 335 K HA -0.035 4.287 4.320 0.004 0.000 0.207 335 K C 1.801 178.394 176.600 -0.012 0.000 1.049 335 K CA 0.800 57.076 56.287 -0.018 0.000 0.933 335 K CB -0.160 32.328 32.500 -0.020 0.000 0.714 335 K HN -0.057 nan 8.250 nan 0.000 0.438 336 L N 1.614 122.827 121.223 -0.017 0.000 2.187 336 L HA -0.091 4.251 4.340 0.004 0.000 0.213 336 L C 0.897 177.773 176.870 0.010 0.000 1.100 336 L CA 1.148 55.985 54.840 -0.005 0.000 0.765 336 L CB -0.515 41.537 42.059 -0.011 0.000 0.904 336 L HN 0.141 nan 8.230 nan 0.000 0.437 337 I N 0.771 121.345 120.570 0.007 0.000 2.683 337 I HA -0.150 4.023 4.170 0.004 0.000 0.286 337 I C 1.171 177.301 176.117 0.022 0.000 1.175 337 I CA 0.617 61.931 61.300 0.023 0.000 1.429 337 I CB -0.367 37.643 38.000 0.016 0.000 1.371 337 I HN 0.438 nan 8.210 nan 0.000 0.569 338 N N 2.996 121.714 118.700 0.030 0.000 2.815 338 N HA -0.153 4.589 4.740 0.004 0.000 0.249 338 N C -0.814 174.706 175.510 0.017 0.000 1.114 338 N CA 0.562 53.625 53.050 0.021 0.000 0.717 338 N CB -0.258 38.239 38.487 0.017 0.000 1.074 338 N HN 0.771 nan 8.380 nan 0.000 0.555 339 T N -0.654 113.912 114.554 0.020 0.000 2.900 339 T HA 0.169 4.521 4.350 0.004 0.000 0.303 339 T C 0.078 174.789 174.700 0.018 0.000 1.142 339 T CA -0.611 61.498 62.100 0.015 0.000 1.007 339 T CB 1.469 70.343 68.868 0.011 0.000 1.156 339 T HN -0.035 nan 8.240 nan 0.000 0.490 340 D N 0.788 121.196 120.400 0.013 0.000 2.397 340 D HA -0.076 4.567 4.640 0.004 0.000 0.219 340 D C 1.283 177.593 176.300 0.018 0.000 0.975 340 D CA 1.220 55.228 54.000 0.013 0.000 0.940 340 D CB 0.100 40.905 40.800 0.009 0.000 0.884 340 D HN 0.404 nan 8.370 nan 0.000 0.505 341 K N -0.220 120.193 120.400 0.022 0.000 2.358 341 K HA 0.118 4.440 4.320 0.004 0.000 0.197 341 K C 1.325 177.954 176.600 0.048 0.000 1.025 341 K CA -0.134 56.169 56.287 0.027 0.000 1.104 341 K CB 0.571 33.080 32.500 0.016 0.000 0.855 341 K HN 0.118 nan 8.250 nan 0.000 0.531 342 E N 1.901 122.141 120.200 0.065 0.000 2.114 342 E HA -0.246 4.106 4.350 0.004 0.000 0.199 342 E C 1.297 178.027 176.600 0.216 0.000 1.008 342 E CA 1.484 57.961 56.400 0.128 0.000 0.810 342 E CB 0.055 29.837 29.700 0.138 0.000 0.739 342 E HN 0.247 nan 8.360 nan 0.000 0.456 343 K N -0.062 120.428 120.400 0.150 0.000 2.077 343 K HA -0.211 4.111 4.320 0.004 0.000 0.213 343 K C 2.247 178.959 176.600 0.186 0.000 1.051 343 K CA 1.994 58.376 56.287 0.158 0.000 0.929 343 K CB -0.544 31.989 32.500 0.056 0.000 0.715 343 K HN 0.118 nan 8.250 nan 0.000 0.451 344 T N 2.369 116.983 114.554 0.100 0.000 2.653 344 T HA -0.183 4.169 4.350 0.004 0.000 0.268 344 T C 1.869 176.589 174.700 0.033 0.000 1.035 344 T CA 1.518 63.651 62.100 0.054 0.000 1.154 344 T CB -0.409 68.474 68.868 0.024 0.000 0.862 344 T HN 0.162 nan 8.240 nan 0.000 0.441 345 L N -0.562 120.662 121.223 0.001 0.000 2.189 345 L HA -0.094 4.249 4.340 0.004 0.000 0.214 345 L C 2.013 178.692 176.870 -0.318 0.000 1.097 345 L CA 1.395 56.127 54.840 -0.180 0.000 0.764 345 L CB -0.546 41.317 42.059 -0.326 0.000 0.900 345 L HN 0.274 nan 8.230 nan 0.000 0.436 346 F N -1.400 118.537 119.950 -0.021 0.000 2.731 346 F HA 0.140 4.668 4.527 0.002 0.000 0.298 346 F C 1.252 177.020 175.800 -0.054 0.000 1.106 346 F CA -0.308 57.669 58.000 -0.040 0.000 1.329 346 F CB 0.018 38.989 39.000 -0.050 0.000 1.100 346 F HN -0.009 nan 8.300 nan 0.000 0.592 347 Q N 3.085 122.952 119.800 0.112 0.000 2.259 347 Q HA 0.225 4.567 4.340 0.004 0.000 0.249 347 Q C -2.208 173.774 176.000 -0.030 0.000 0.914 347 Q CA -2.191 53.635 55.803 0.037 0.000 0.904 347 Q CB 0.778 29.537 28.738 0.036 0.000 1.213 347 Q HN -0.067 nan 8.270 nan 0.000 0.428 348 P HA -0.070 nan 4.420 nan 0.000 0.272 348 P C -0.525 176.709 177.300 -0.110 0.000 1.240 348 P CA 0.205 63.208 63.100 -0.161 0.000 0.791 348 P CB 1.089 32.682 31.700 -0.179 0.000 0.978 349 Q N 0.149 119.859 119.800 -0.150 0.000 1.909 349 Q HA 0.042 4.384 4.340 0.004 0.000 0.209 349 Q C 0.436 176.446 176.000 0.017 0.000 0.974 349 Q CA 0.878 56.650 55.803 -0.051 0.000 0.851 349 Q CB -0.914 27.798 28.738 -0.042 0.000 0.904 349 Q HN 0.492 nan 8.270 nan 0.000 0.445 350 T N 0.572 115.176 114.554 0.084 0.000 2.932 350 T HA 0.121 4.474 4.350 0.004 0.000 0.312 350 T C 0.944 175.773 174.700 0.216 0.000 1.071 350 T CA 0.283 62.493 62.100 0.183 0.000 1.128 350 T CB 0.948 69.996 68.868 0.301 0.000 0.984 350 T HN 0.539 nan 8.240 nan 0.000 0.549 351 G N 0.281 109.170 108.800 0.149 0.000 3.042 351 G HA2 0.284 4.246 3.960 0.004 0.000 0.212 351 G HA3 0.284 4.246 3.960 0.004 0.000 0.212 351 G C 1.295 176.273 174.900 0.130 0.000 1.166 351 G CA 0.226 45.403 45.100 0.129 0.000 0.767 351 G HN 0.803 nan 8.290 nan 0.000 0.546 352 A N -0.222 122.677 122.820 0.132 0.000 2.169 352 A HA 0.274 4.597 4.320 0.004 0.000 0.212 352 A C 1.764 179.339 177.584 -0.015 0.000 1.153 352 A CA 0.381 52.434 52.037 0.026 0.000 0.756 352 A CB -0.262 18.711 19.000 -0.045 0.000 0.813 352 A HN 0.356 nan 8.150 nan 0.000 0.471 353 Y N -0.522 119.796 120.300 0.029 0.000 2.130 353 Y HA -0.189 4.363 4.550 0.003 0.000 0.287 353 Y C 2.700 178.619 175.900 0.031 0.000 1.124 353 Y CA 1.858 59.979 58.100 0.035 0.000 1.118 353 Y CB -0.352 38.133 38.460 0.041 0.000 0.994 353 Y HN 0.330 nan 8.280 nan 0.000 0.497 354 Q N 0.090 120.019 119.800 0.215 0.000 2.181 354 Q HA -0.175 4.167 4.340 0.004 0.000 0.205 354 Q C 1.765 177.835 176.000 0.117 0.000 0.980 354 Q CA 2.065 57.961 55.803 0.155 0.000 0.862 354 Q CB -0.257 28.561 28.738 0.134 0.000 0.905 354 Q HN 0.474 nan 8.270 nan 0.000 0.429 355 T N 1.529 116.130 114.554 0.078 0.000 2.770 355 T HA -0.112 4.241 4.350 0.004 0.000 0.263 355 T C 1.746 176.433 174.700 -0.022 0.000 1.039 355 T CA 1.022 63.140 62.100 0.030 0.000 1.142 355 T CB -0.237 68.641 68.868 0.018 0.000 0.868 355 T HN 0.240 nan 8.240 nan 0.000 0.435 356 L N 1.675 122.874 121.223 -0.041 0.000 2.131 356 L HA 0.161 4.503 4.340 0.004 0.000 0.210 356 L C 2.465 179.289 176.870 -0.077 0.000 1.092 356 L CA 1.621 56.412 54.840 -0.081 0.000 0.759 356 L CB -1.156 40.822 42.059 -0.134 0.000 0.903 356 L HN 0.193 nan 8.230 nan 0.000 0.435 357 A N -0.191 122.605 122.820 -0.040 0.000 1.858 357 A HA -0.278 4.045 4.320 0.004 0.000 0.216 357 A C 2.468 179.958 177.584 -0.158 0.000 1.190 357 A CA 2.024 54.033 52.037 -0.048 0.000 0.617 357 A CB -0.717 18.307 19.000 0.041 0.000 0.827 357 A HN 0.514 nan 8.150 nan 0.000 0.443 358 K N -0.496 119.770 120.400 -0.224 0.000 2.074 358 K HA -0.267 4.055 4.320 0.004 0.000 0.209 358 K C 2.002 178.418 176.600 -0.307 0.000 1.048 358 K CA 2.004 57.999 56.287 -0.486 0.000 0.926 358 K CB -0.146 32.159 32.500 -0.325 0.000 0.713 358 K HN 0.415 nan 8.250 nan 0.000 0.444 359 E N 0.289 120.386 120.200 -0.172 0.000 2.204 359 E HA -0.142 4.211 4.350 0.004 0.000 0.195 359 E C 1.656 178.190 176.600 -0.110 0.000 0.990 359 E CA 1.356 57.683 56.400 -0.121 0.000 0.821 359 E CB -0.267 29.381 29.700 -0.086 0.000 0.750 359 E HN 0.390 nan 8.360 nan 0.000 0.477 360 C N -1.008 118.221 119.300 -0.118 0.000 2.475 360 C HA 0.045 4.507 4.460 0.004 0.000 0.279 360 C C 2.572 177.512 174.990 -0.083 0.000 1.322 360 C CA 0.484 59.450 59.018 -0.087 0.000 1.734 360 C CB -0.657 27.034 27.740 -0.082 0.000 2.005 360 C HN 0.291 nan 8.230 nan 0.000 0.495 361 V N 1.507 121.339 119.914 -0.136 0.000 2.407 361 V HA -0.199 3.924 4.120 0.004 0.000 0.248 361 V C 2.662 178.704 176.094 -0.086 0.000 1.055 361 V CA 2.149 64.378 62.300 -0.117 0.000 1.049 361 V CB -1.145 30.541 31.823 -0.228 0.000 0.662 361 V HN 0.594 nan 8.190 nan 0.000 0.455 362 A N -0.951 121.800 122.820 -0.114 0.000 2.015 362 A HA -0.168 4.154 4.320 0.004 0.000 0.219 362 A C 2.051 179.615 177.584 -0.033 0.000 1.163 362 A CA 1.236 53.230 52.037 -0.071 0.000 0.646 362 A CB -0.212 18.739 19.000 -0.082 0.000 0.806 362 A HN 0.542 nan 8.150 nan 0.000 0.448 363 Q N -1.538 118.244 119.800 -0.029 0.000 2.282 363 Q HA 0.216 4.558 4.340 0.004 0.000 0.206 363 Q C 0.894 176.907 176.000 0.021 0.000 0.878 363 Q CA 0.630 56.429 55.803 -0.005 0.000 0.944 363 Q CB 0.285 29.017 28.738 -0.011 0.000 1.100 363 Q HN 0.932 nan 8.270 nan 0.000 0.509 364 G N 1.679 110.497 108.800 0.030 0.000 2.256 364 G HA2 -0.271 3.692 3.960 0.004 0.000 0.272 364 G HA3 -0.271 3.692 3.960 0.004 0.000 0.272 364 G C -0.077 174.883 174.900 0.100 0.000 1.076 364 G CA 0.336 45.483 45.100 0.080 0.000 0.882 364 G HN 0.393 nan 8.290 nan 0.000 0.497 365 C N 1.345 120.674 119.300 0.049 0.000 2.271 365 C HA 0.740 5.202 4.460 0.004 0.000 0.323 365 C C 1.022 176.012 174.990 -0.000 0.000 1.245 365 C CA -0.554 58.486 59.018 0.036 0.000 1.548 365 C CB -0.363 27.376 27.740 -0.001 0.000 2.214 365 C HN 0.945 nan 8.230 nan 0.000 0.477 366 C N 7.495 126.796 119.300 0.002 0.000 2.341 366 C HA 0.838 5.300 4.460 0.004 0.000 0.338 366 C C 0.032 174.919 174.990 -0.171 0.000 1.257 366 C CA -0.222 58.751 59.018 -0.074 0.000 1.883 366 C CB 0.140 27.830 27.740 -0.083 0.000 2.334 366 C HN 0.977 nan 8.230 nan 0.000 0.524 367 V N 4.236 124.037 119.914 -0.187 0.000 2.540 367 V HA 0.638 4.760 4.120 0.004 0.000 0.302 367 V C -0.828 175.104 176.094 -0.270 0.000 1.035 367 V CA -0.273 61.877 62.300 -0.249 0.000 0.873 367 V CB 1.758 33.469 31.823 -0.186 0.000 0.992 367 V HN 0.822 nan 8.190 nan 0.000 0.428 368 D N 3.965 124.147 120.400 -0.363 0.000 2.278 368 D HA 0.613 5.255 4.640 0.004 0.000 0.245 368 D C -0.886 175.234 176.300 -0.300 0.000 1.052 368 D CA -0.119 53.680 54.000 -0.335 0.000 0.834 368 D CB 2.632 43.239 40.800 -0.321 0.000 1.194 368 D HN 0.590 nan 8.370 nan 0.000 0.481 369 L N 2.209 123.241 121.223 -0.318 0.000 2.334 369 L HA 0.560 4.902 4.340 0.004 0.000 0.273 369 L C -1.492 175.190 176.870 -0.313 0.000 1.013 369 L CA -0.527 54.209 54.840 -0.173 0.000 0.816 369 L CB 1.216 43.281 42.059 0.009 0.000 1.278 369 L HN 0.189 nan 8.230 nan 0.000 0.431 370 F N 5.409 125.472 119.950 0.189 0.000 2.646 370 F HA 0.432 4.961 4.527 0.004 0.000 0.364 370 F C -0.707 175.128 175.800 0.059 0.000 1.137 370 F CA -0.733 57.377 58.000 0.184 0.000 1.085 370 F CB 0.987 40.264 39.000 0.462 0.000 1.331 370 F HN 0.081 nan 8.300 nan 0.000 0.472 371 L N 2.976 124.174 121.223 -0.042 0.000 2.379 371 L HA 0.431 4.773 4.340 0.004 0.000 0.269 371 L C -0.481 176.184 176.870 -0.342 0.000 1.084 371 L CA -0.447 54.382 54.840 -0.018 0.000 0.802 371 L CB 0.729 42.754 42.059 -0.057 0.000 1.175 371 L HN 0.446 nan 8.230 nan 0.000 0.448 372 F N 2.125 122.125 119.950 0.084 0.000 2.646 372 F HA 0.263 4.792 4.527 0.004 0.000 0.336 372 F C -1.967 173.866 175.800 0.054 0.000 1.437 372 F CA -1.772 56.278 58.000 0.084 0.000 1.142 372 F CB 0.397 39.388 39.000 -0.014 0.000 1.530 372 F HN 0.266 nan 8.300 nan 0.000 0.591 373 P HA 0.002 nan 4.420 nan 0.000 0.264 373 P C 0.247 177.602 177.300 0.091 0.000 1.229 373 P CA 0.497 63.642 63.100 0.075 0.000 0.780 373 P CB 1.260 32.959 31.700 -0.001 0.000 0.808 374 N N 2.974 121.725 118.700 0.086 0.000 2.439 374 N HA -0.012 4.730 4.740 0.004 0.000 0.176 374 N C 0.671 176.223 175.510 0.070 0.000 1.029 374 N CA 0.786 53.882 53.050 0.077 0.000 0.886 374 N CB 0.648 39.174 38.487 0.066 0.000 1.057 374 N HN 0.489 nan 8.380 nan 0.000 0.437 375 Q N -1.223 118.620 119.800 0.072 0.000 3.207 375 Q HA 0.153 4.495 4.340 0.004 0.000 0.224 375 Q C -1.147 174.924 176.000 0.118 0.000 1.062 375 Q CA -0.812 55.046 55.803 0.092 0.000 0.789 375 Q CB 0.876 29.670 28.738 0.093 0.000 2.631 375 Q HN 0.135 nan 8.270 nan 0.000 0.409 376 Y N 2.158 122.457 120.300 -0.003 0.000 2.627 376 Y HA 0.179 4.731 4.550 0.003 0.000 0.347 376 Y C 0.501 176.387 175.900 -0.023 0.000 1.099 376 Y CA -0.405 57.681 58.100 -0.022 0.000 1.408 376 Y CB 0.084 38.525 38.460 -0.031 0.000 1.247 376 Y HN 0.316 nan 8.280 nan 0.000 0.506 377 V N 0.571 120.302 119.914 -0.305 0.000 3.623 377 V HA 0.110 4.232 4.120 0.004 0.000 0.271 377 V C 0.298 176.081 176.094 -0.518 0.000 1.248 377 V CA 0.639 62.759 62.300 -0.299 0.000 1.156 377 V CB -0.861 30.883 31.823 -0.132 0.000 0.870 377 V HN 0.841 nan 8.190 nan 0.000 0.453 378 D N -0.235 119.597 120.400 -0.946 0.000 3.278 378 D HA -0.173 4.469 4.640 0.004 0.000 0.233 378 D C 0.670 176.702 176.300 -0.446 0.000 1.149 378 D CA 0.852 54.340 54.000 -0.853 0.000 0.957 378 D CB -0.906 39.451 40.800 -0.738 0.000 0.913 378 D HN 0.202 nan 8.370 nan 0.000 0.409 379 V N 2.988 122.712 119.914 -0.316 0.000 2.295 379 V HA -0.265 3.857 4.120 0.004 0.000 0.246 379 V C 2.842 178.832 176.094 -0.173 0.000 1.049 379 V CA 2.382 64.566 62.300 -0.192 0.000 1.024 379 V CB -1.012 30.762 31.823 -0.082 0.000 0.648 379 V HN 0.745 nan 8.190 nan 0.000 0.447 380 A N -0.265 122.459 122.820 -0.160 0.000 1.985 380 A HA -0.337 3.985 4.320 0.004 0.000 0.223 380 A C 2.349 179.829 177.584 -0.172 0.000 1.189 380 A CA 3.035 54.999 52.037 -0.122 0.000 0.658 380 A CB -0.929 17.996 19.000 -0.124 0.000 0.820 380 A HN 0.559 nan 8.150 nan 0.000 0.464 381 T N -0.385 113.998 114.554 -0.284 0.000 2.925 381 T HA 0.143 4.495 4.350 0.004 0.000 0.245 381 T C 1.700 176.137 174.700 -0.438 0.000 1.025 381 T CA 0.946 62.771 62.100 -0.458 0.000 1.149 381 T CB -0.269 68.222 68.868 -0.628 0.000 0.866 381 T HN 0.365 nan 8.240 nan 0.000 0.437 382 L N 2.203 123.192 121.223 -0.389 0.000 2.353 382 L HA 0.014 4.356 4.340 0.004 0.000 0.220 382 L C 2.173 179.035 176.870 -0.013 0.000 1.133 382 L CA 0.992 55.624 54.840 -0.347 0.000 0.798 382 L CB -0.776 40.857 42.059 -0.710 0.000 0.922 382 L HN 0.332 nan 8.230 nan 0.000 0.445 383 S N -2.348 113.322 115.700 -0.049 0.000 2.572 383 S HA 0.122 4.594 4.470 0.004 0.000 0.228 383 S C 1.454 176.060 174.600 0.009 0.000 0.963 383 S CA -0.337 57.863 58.200 0.000 0.000 0.939 383 S CB 0.310 63.491 63.200 -0.033 0.000 0.804 383 S HN 0.072 nan 8.310 nan 0.000 0.480 384 V N 1.329 121.266 119.914 0.037 0.000 2.379 384 V HA -0.101 4.021 4.120 0.004 0.000 0.245 384 V C 2.523 178.668 176.094 0.085 0.000 1.044 384 V CA 1.588 63.917 62.300 0.049 0.000 1.036 384 V CB -0.549 31.310 31.823 0.060 0.000 0.664 384 V HN 0.502 nan 8.190 nan 0.000 0.453 385 V N 1.308 121.311 119.914 0.148 0.000 2.295 385 V HA -0.149 3.973 4.120 0.004 0.000 0.246 385 V C 0.316 176.419 176.094 0.016 0.000 1.049 385 V CA 2.547 64.899 62.300 0.086 0.000 1.024 385 V CB -2.038 29.831 31.823 0.077 0.000 0.648 385 V HN 0.541 nan 8.190 nan 0.000 0.447 386 P HA -0.213 nan 4.420 nan 0.000 0.217 386 P C 1.678 178.934 177.300 -0.073 0.000 1.150 386 P CA 1.661 64.722 63.100 -0.064 0.000 0.832 386 P CB 0.099 31.747 31.700 -0.087 0.000 0.787 387 Q N 0.336 120.099 119.800 -0.062 0.000 1.993 387 Q HA -0.100 4.243 4.340 0.004 0.000 0.202 387 Q C 2.316 178.269 176.000 -0.078 0.000 0.984 387 Q CA 1.406 57.155 55.803 -0.091 0.000 0.837 387 Q CB -0.638 28.042 28.738 -0.096 0.000 0.902 387 Q HN 0.167 nan 8.270 nan 0.000 0.423 388 L N 0.109 121.318 121.223 -0.022 0.000 2.549 388 L HA -0.067 4.275 4.340 0.004 0.000 0.229 388 L C 1.945 178.865 176.870 0.084 0.000 1.158 388 L CA 0.976 55.849 54.840 0.054 0.000 0.842 388 L CB -0.147 41.999 42.059 0.146 0.000 0.952 388 L HN 0.295 nan 8.230 nan 0.000 0.452 389 T N -1.464 113.101 114.554 0.019 0.000 3.044 389 T HA 0.259 4.611 4.350 0.004 0.000 0.260 389 T C 1.296 175.991 174.700 -0.009 0.000 1.019 389 T CA 0.683 62.786 62.100 0.005 0.000 0.921 389 T CB 0.248 69.096 68.868 -0.035 0.000 1.053 389 T HN 0.541 nan 8.240 nan 0.000 0.533 390 G N 0.457 109.247 108.800 -0.016 0.000 2.176 390 G HA2 -0.160 3.802 3.960 0.004 0.000 0.253 390 G HA3 -0.160 3.802 3.960 0.004 0.000 0.253 390 G C 0.622 175.470 174.900 -0.087 0.000 0.979 390 G CA 0.100 45.182 45.100 -0.029 0.000 0.641 390 G HN 0.896 nan 8.290 nan 0.000 0.530 391 G N -0.268 108.462 108.800 -0.117 0.000 2.570 391 G HA2 0.577 4.539 3.960 0.004 0.000 0.276 391 G HA3 0.577 4.539 3.960 0.004 0.000 0.276 391 G C 0.239 175.019 174.900 -0.200 0.000 1.346 391 G CA 0.817 45.815 45.100 -0.169 0.000 1.034 391 G HN 1.160 nan 8.290 nan 0.000 0.512 392 S N -2.163 113.372 115.700 -0.275 0.000 2.600 392 S HA 0.610 5.082 4.470 0.004 0.000 0.300 392 S C -0.911 173.374 174.600 -0.524 0.000 1.087 392 S CA -0.618 57.332 58.200 -0.416 0.000 0.965 392 S CB 2.192 65.074 63.200 -0.530 0.000 1.089 392 S HN 0.457 nan 8.310 nan 0.000 0.496 393 V N 2.447 122.030 119.914 -0.552 0.000 2.407 393 V HA 0.380 4.502 4.120 0.004 0.000 0.291 393 V C -1.761 174.118 176.094 -0.359 0.000 1.018 393 V CA -0.548 61.528 62.300 -0.374 0.000 0.842 393 V CB 0.681 32.436 31.823 -0.113 0.000 0.996 393 V HN 0.861 nan 8.190 nan 0.000 0.426 394 Y N 3.818 124.008 120.300 -0.183 0.000 2.478 394 Y HA 0.478 5.031 4.550 0.004 0.000 0.329 394 Y C 0.323 175.885 175.900 -0.563 0.000 0.967 394 Y CA -0.641 57.318 58.100 -0.235 0.000 1.255 394 Y CB 1.234 39.594 38.460 -0.166 0.000 1.103 394 Y HN 0.482 nan 8.280 nan 0.000 0.497 395 K N 2.919 122.943 120.400 -0.627 0.000 2.183 395 K HA 0.419 4.741 4.320 0.004 0.000 0.274 395 K C -1.707 174.403 176.600 -0.818 0.000 1.009 395 K CA -0.646 55.114 56.287 -0.878 0.000 0.888 395 K CB 0.624 32.335 32.500 -1.316 0.000 1.078 395 K HN 0.533 nan 8.250 nan 0.000 0.459 396 Y N 2.591 122.720 120.300 -0.286 0.000 2.863 396 Y HA 0.317 4.869 4.550 0.004 0.000 0.348 396 Y C 0.139 176.035 175.900 -0.006 0.000 1.028 396 Y CA -0.998 57.041 58.100 -0.102 0.000 1.213 396 Y CB 1.041 39.441 38.460 -0.100 0.000 1.120 396 Y HN 0.662 nan 8.280 nan 0.000 0.598 397 A N 1.667 124.539 122.820 0.086 0.000 2.563 397 A HA 0.237 4.560 4.320 0.004 0.000 0.256 397 A C 0.899 178.571 177.584 0.147 0.000 1.056 397 A CA 0.746 52.834 52.037 0.085 0.000 0.775 397 A CB -0.538 18.497 19.000 0.057 0.000 0.973 397 A HN 0.870 nan 8.150 nan 0.000 0.516 398 S N 0.822 116.612 115.700 0.151 0.000 3.430 398 S HA -0.183 4.289 4.470 0.004 0.000 0.442 398 S C -0.158 174.558 174.600 0.195 0.000 0.845 398 S CA 0.632 58.918 58.200 0.144 0.000 1.357 398 S CB -1.602 61.646 63.200 0.080 0.000 0.925 398 S HN 1.296 nan 8.310 nan 0.000 0.642 399 F N 2.940 122.969 119.950 0.132 0.000 2.608 399 F HA 0.272 4.801 4.527 0.004 0.000 0.380 399 F C 0.811 176.626 175.800 0.025 0.000 1.083 399 F CA 0.390 58.469 58.000 0.132 0.000 1.266 399 F CB 0.400 39.543 39.000 0.239 0.000 1.076 399 F HN 0.491 nan 8.300 nan 0.000 0.574 400 Q N 5.530 124.850 119.800 -0.801 0.000 2.337 400 Q HA 0.247 4.589 4.340 0.004 0.000 0.260 400 Q C 0.233 175.651 176.000 -0.970 0.000 0.982 400 Q CA -0.558 54.823 55.803 -0.704 0.000 0.734 400 Q CB 1.916 30.471 28.738 -0.305 0.000 1.272 400 Q HN 0.659 nan 8.270 nan 0.000 0.461 401 V N 2.333 121.639 119.914 -1.014 0.000 3.186 401 V HA -0.244 3.879 4.120 0.004 0.000 0.270 401 V C 0.760 176.677 176.094 -0.296 0.000 1.149 401 V CA 2.066 64.002 62.300 -0.606 0.000 1.160 401 V CB 0.111 31.750 31.823 -0.306 0.000 0.758 401 V HN 0.644 nan 8.190 nan 0.000 0.516 402 E N 0.213 120.250 120.200 -0.271 0.000 2.057 402 E HA 0.052 4.404 4.350 0.004 0.000 0.191 402 E C 1.916 178.439 176.600 -0.130 0.000 0.959 402 E CA 1.229 57.533 56.400 -0.160 0.000 0.828 402 E CB -0.418 29.202 29.700 -0.133 0.000 0.800 402 E HN 0.613 nan 8.360 nan 0.000 0.460 403 N N 1.351 119.969 118.700 -0.136 0.000 2.004 403 N HA -0.093 4.649 4.740 0.004 0.000 0.196 403 N C -0.156 175.318 175.510 -0.060 0.000 1.064 403 N CA 1.430 54.431 53.050 -0.082 0.000 0.855 403 N CB -0.201 38.243 38.487 -0.072 0.000 1.056 403 N HN 0.095 nan 8.380 nan 0.000 0.423 404 D N 0.840 121.192 120.400 -0.081 0.000 2.631 404 D HA 0.008 4.651 4.640 0.004 0.000 0.227 404 D C 0.471 176.753 176.300 -0.029 0.000 1.146 404 D CA 0.096 54.087 54.000 -0.015 0.000 1.009 404 D CB 0.832 41.678 40.800 0.077 0.000 1.057 404 D HN 0.441 nan 8.370 nan 0.000 0.509 405 Q N 0.628 120.399 119.800 -0.049 0.000 2.471 405 Q HA -0.041 4.301 4.340 0.004 0.000 0.241 405 Q C 1.204 177.163 176.000 -0.068 0.000 0.886 405 Q CA 0.029 55.828 55.803 -0.008 0.000 0.953 405 Q CB 0.621 29.330 28.738 -0.047 0.000 1.108 405 Q HN 0.020 nan 8.270 nan 0.000 0.575 406 E N 1.237 121.335 120.200 -0.171 0.000 2.047 406 E HA -0.176 4.177 4.350 0.004 0.000 0.191 406 E C 1.903 178.081 176.600 -0.702 0.000 0.987 406 E CA 0.810 56.990 56.400 -0.367 0.000 0.799 406 E CB -0.201 29.305 29.700 -0.323 0.000 0.752 406 E HN 0.292 nan 8.360 nan 0.000 0.449 407 R N 0.087 120.194 120.500 -0.655 0.000 2.115 407 R HA -0.223 4.119 4.340 0.004 0.000 0.239 407 R C 2.364 178.577 176.300 -0.144 0.000 1.133 407 R CA 1.977 57.806 56.100 -0.452 0.000 0.935 407 R CB -0.538 29.824 30.300 0.102 0.000 0.853 407 R HN 0.156 nan 8.270 nan 0.000 0.433 408 F N 1.303 121.063 119.950 -0.316 0.000 2.051 408 F HA -0.144 4.385 4.527 0.004 0.000 0.296 408 F C 1.949 177.647 175.800 -0.171 0.000 1.122 408 F CA 1.619 59.428 58.000 -0.319 0.000 1.201 408 F CB -0.665 38.044 39.000 -0.485 0.000 0.978 408 F HN 0.020 nan 8.300 nan 0.000 0.472 409 L N -0.523 120.403 121.223 -0.495 0.000 2.189 409 L HA -0.242 4.100 4.340 0.004 0.000 0.214 409 L C 2.698 179.335 176.870 -0.390 0.000 1.097 409 L CA 1.467 55.973 54.840 -0.556 0.000 0.764 409 L CB -1.087 40.795 42.059 -0.295 0.000 0.900 409 L HN 0.302 nan 8.230 nan 0.000 0.436 410 S N -0.280 115.237 115.700 -0.306 0.000 2.345 410 S HA -0.165 4.307 4.470 0.004 0.000 0.219 410 S C 1.624 176.171 174.600 -0.087 0.000 1.031 410 S CA 1.241 59.349 58.200 -0.154 0.000 0.984 410 S CB -0.088 63.053 63.200 -0.098 0.000 0.874 410 S HN 0.397 nan 8.310 nan 0.000 0.451 411 D N 1.214 121.574 120.400 -0.067 0.000 2.104 411 D HA -0.109 4.534 4.640 0.004 0.000 0.194 411 D C 1.898 178.114 176.300 -0.140 0.000 0.994 411 D CA 0.955 54.920 54.000 -0.059 0.000 0.830 411 D CB -0.564 40.198 40.800 -0.064 0.000 0.959 411 D HN 0.328 nan 8.370 nan 0.000 0.452 412 L N 0.963 122.022 121.223 -0.273 0.000 2.131 412 L HA -0.096 4.246 4.340 0.004 0.000 0.210 412 L C 2.192 178.979 176.870 -0.137 0.000 1.092 412 L CA 1.491 56.180 54.840 -0.253 0.000 0.759 412 L CB -0.138 41.493 42.059 -0.712 0.000 0.903 412 L HN -0.122 nan 8.230 nan 0.000 0.435 413 R N -1.013 119.393 120.500 -0.158 0.000 2.073 413 R HA -0.099 4.243 4.340 0.004 0.000 0.229 413 R C 2.420 178.716 176.300 -0.006 0.000 1.120 413 R CA 1.280 57.327 56.100 -0.088 0.000 0.967 413 R CB -0.292 29.936 30.300 -0.119 0.000 0.862 413 R HN 0.340 nan 8.270 nan 0.000 0.436 414 R N 0.800 121.308 120.500 0.013 0.000 2.075 414 R HA -0.147 4.195 4.340 0.004 0.000 0.232 414 R C 1.567 177.940 176.300 0.123 0.000 1.126 414 R CA 1.841 57.982 56.100 0.067 0.000 0.963 414 R CB -0.163 30.187 30.300 0.085 0.000 0.858 414 R HN 0.060 nan 8.270 nan 0.000 0.435 415 D N -0.336 120.155 120.400 0.152 0.000 2.088 415 D HA -0.144 4.498 4.640 0.004 0.000 0.191 415 D C 1.816 178.270 176.300 0.257 0.000 0.992 415 D CA 1.649 55.801 54.000 0.254 0.000 0.831 415 D CB -0.082 40.942 40.800 0.372 0.000 0.973 415 D HN 0.045 nan 8.370 nan 0.000 0.447 416 V N 0.211 120.244 119.914 0.198 0.000 2.720 416 V HA -0.204 3.918 4.120 0.004 0.000 0.256 416 V C 2.157 178.427 176.094 0.293 0.000 1.082 416 V CA 1.597 64.004 62.300 0.178 0.000 1.101 416 V CB -0.444 31.421 31.823 0.071 0.000 0.693 416 V HN 0.275 nan 8.190 nan 0.000 0.479 417 Q N 0.080 120.012 119.800 0.221 0.000 2.391 417 Q HA 0.054 4.396 4.340 0.004 0.000 0.211 417 Q C 0.946 177.067 176.000 0.202 0.000 0.908 417 Q CA -0.111 55.823 55.803 0.219 0.000 0.920 417 Q CB 0.149 28.973 28.738 0.143 0.000 1.056 417 Q HN 0.721 nan 8.270 nan 0.000 0.523 418 K N 1.457 121.966 120.400 0.183 0.000 2.530 418 K HA 0.021 4.343 4.320 0.004 0.000 0.280 418 K C 0.034 176.730 176.600 0.160 0.000 1.004 418 K CA -0.155 56.222 56.287 0.150 0.000 1.071 418 K CB 0.702 33.285 32.500 0.138 0.000 0.876 418 K HN -0.129 nan 8.250 nan 0.000 0.487 419 V N 4.631 124.616 119.914 0.120 0.000 2.599 419 V HA 0.164 4.286 4.120 0.004 0.000 0.300 419 V C -0.164 175.970 176.094 0.066 0.000 1.034 419 V CA 0.066 62.433 62.300 0.111 0.000 1.115 419 V CB 0.431 32.302 31.823 0.081 0.000 0.934 419 V HN 0.667 nan 8.190 nan 0.000 0.485 420 V N 3.892 123.844 119.914 0.063 0.000 3.159 420 V HA 1.024 5.146 4.120 0.004 0.000 0.308 420 V C 0.078 176.067 176.094 -0.174 0.000 1.190 420 V CA -0.223 62.020 62.300 -0.096 0.000 1.037 420 V CB 1.416 33.131 31.823 -0.179 0.000 1.060 420 V HN 1.133 nan 8.190 nan 0.000 0.437 421 G N 0.249 108.843 108.800 -0.344 0.000 2.448 421 G HA2 0.788 4.750 3.960 0.004 0.000 0.324 421 G HA3 0.788 4.750 3.960 0.004 0.000 0.324 421 G C -1.655 173.037 174.900 -0.346 0.000 1.203 421 G CA -0.673 44.301 45.100 -0.209 0.000 0.954 421 G HN 0.580 nan 8.290 nan 0.000 0.480 422 F N -0.397 119.659 119.950 0.178 0.000 2.561 422 F HA 0.399 4.928 4.527 0.004 0.000 0.321 422 F C 0.490 176.374 175.800 0.140 0.000 1.065 422 F CA -0.578 57.506 58.000 0.140 0.000 0.934 422 F CB 2.151 41.227 39.000 0.127 0.000 1.215 422 F HN 0.533 nan 8.300 nan 0.000 0.471 423 D N 1.313 121.885 120.400 0.287 0.000 2.740 423 D HA -0.153 4.489 4.640 0.004 0.000 0.231 423 D C -0.689 175.714 176.300 0.171 0.000 1.194 423 D CA 0.729 54.842 54.000 0.188 0.000 0.673 423 D CB -0.559 40.344 40.800 0.172 0.000 0.995 423 D HN 0.794 nan 8.370 nan 0.000 0.411 424 A N -0.128 122.785 122.820 0.155 0.000 2.309 424 A HA 0.865 5.188 4.320 0.004 0.000 0.317 424 A C -0.158 177.488 177.584 0.103 0.000 1.134 424 A CA -0.018 52.113 52.037 0.157 0.000 0.866 424 A CB 2.031 21.143 19.000 0.188 0.000 1.329 424 A HN 0.977 nan 8.150 nan 0.000 0.477 425 V N -1.928 118.044 119.914 0.096 0.000 2.752 425 V HA 0.671 4.793 4.120 0.004 0.000 0.302 425 V C -0.662 175.458 176.094 0.042 0.000 1.133 425 V CA -0.539 61.789 62.300 0.047 0.000 0.919 425 V CB 1.158 33.004 31.823 0.039 0.000 1.026 425 V HN 1.075 nan 8.190 nan 0.000 0.429 426 M N 4.809 124.404 119.600 -0.008 0.000 2.404 426 M HA 0.744 5.226 4.480 0.004 0.000 0.338 426 M C -0.574 175.705 176.300 -0.035 0.000 1.150 426 M CA -0.349 54.952 55.300 0.002 0.000 1.016 426 M CB 1.708 34.308 32.600 -0.001 0.000 1.672 426 M HN 0.927 nan 8.290 nan 0.000 0.448 427 R N 2.113 122.628 120.500 0.024 0.000 2.855 427 R HA 0.840 5.182 4.340 0.004 0.000 0.266 427 R C -1.830 174.526 176.300 0.094 0.000 1.034 427 R CA -1.020 55.097 56.100 0.030 0.000 0.944 427 R CB 2.627 32.949 30.300 0.037 0.000 1.219 427 R HN 0.563 nan 8.270 nan 0.000 0.474 428 V N 0.777 120.764 119.914 0.122 0.000 2.888 428 V HA 0.621 4.743 4.120 0.004 0.000 0.309 428 V C -1.546 174.620 176.094 0.119 0.000 1.114 428 V CA -0.715 61.681 62.300 0.160 0.000 0.940 428 V CB 2.229 34.212 31.823 0.267 0.000 1.021 428 V HN 0.748 nan 8.190 nan 0.000 0.426 429 R N 2.961 123.494 120.500 0.056 0.000 2.575 429 R HA 0.794 5.136 4.340 0.004 0.000 0.293 429 R C -0.778 175.550 176.300 0.047 0.000 0.983 429 R CA 0.037 56.115 56.100 -0.037 0.000 0.887 429 R CB 2.061 32.193 30.300 -0.281 0.000 1.184 429 R HN 0.925 nan 8.270 nan 0.000 0.445 430 T N 0.426 115.073 114.554 0.154 0.000 2.932 430 T HA 0.452 4.804 4.350 0.004 0.000 0.289 430 T C -0.036 174.869 174.700 0.341 0.000 1.039 430 T CA -0.869 61.371 62.100 0.233 0.000 1.024 430 T CB 1.515 70.426 68.868 0.072 0.000 1.090 430 T HN 0.610 nan 8.240 nan 0.000 0.496 431 S N 1.272 117.116 115.700 0.241 0.000 2.573 431 S HA 0.235 4.707 4.470 0.004 0.000 0.277 431 S C 0.372 175.004 174.600 0.052 0.000 1.346 431 S CA -0.750 57.507 58.200 0.096 0.000 1.034 431 S CB -0.417 62.690 63.200 -0.155 0.000 0.879 431 S HN 0.823 nan 8.310 nan 0.000 0.528 432 T N 2.496 117.081 114.554 0.052 0.000 2.891 432 T HA 0.406 4.759 4.350 0.004 0.000 0.296 432 T C 1.526 176.225 174.700 -0.001 0.000 1.025 432 T CA 1.067 63.186 62.100 0.032 0.000 1.149 432 T CB -0.233 68.653 68.868 0.030 0.000 1.007 432 T HN 1.428 nan 8.240 nan 0.000 0.528 433 G N 2.559 111.358 108.800 -0.001 0.000 2.380 433 G HA2 -0.130 3.832 3.960 0.004 0.000 0.197 433 G HA3 -0.130 3.832 3.960 0.004 0.000 0.197 433 G C 0.055 174.904 174.900 -0.086 0.000 1.001 433 G CA -0.143 44.944 45.100 -0.021 0.000 0.668 433 G HN 0.986 nan 8.290 nan 0.000 0.483 434 I N -2.442 118.074 120.570 -0.089 0.000 2.865 434 I HA 0.930 5.103 4.170 0.004 0.000 0.302 434 I C -0.667 175.467 176.117 0.029 0.000 1.140 434 I CA -1.526 59.707 61.300 -0.112 0.000 1.021 434 I CB 2.141 40.001 38.000 -0.233 0.000 1.233 434 I HN 0.029 nan 8.210 nan 0.000 0.427 435 R N 2.474 123.035 120.500 0.102 0.000 2.774 435 R HA 0.769 5.111 4.340 0.004 0.000 0.272 435 R C -0.951 175.460 176.300 0.186 0.000 1.000 435 R CA -0.930 55.264 56.100 0.156 0.000 0.906 435 R CB 2.456 32.802 30.300 0.077 0.000 1.227 435 R HN 0.902 nan 8.270 nan 0.000 0.468 436 A N 1.178 124.042 122.820 0.074 0.000 2.401 436 A HA 0.360 4.683 4.320 0.004 0.000 0.259 436 A C 0.405 177.822 177.584 -0.278 0.000 1.103 436 A CA -0.237 51.545 52.037 -0.426 0.000 0.789 436 A CB 0.680 19.431 19.000 -0.414 0.000 1.035 436 A HN 0.476 nan 8.150 nan 0.000 0.491 437 V N 1.698 121.371 119.914 -0.403 0.000 3.485 437 V HA 0.203 4.325 4.120 0.004 0.000 0.280 437 V C -0.073 175.896 176.094 -0.209 0.000 1.495 437 V CA 0.602 62.788 62.300 -0.191 0.000 1.018 437 V CB 0.330 32.099 31.823 -0.091 0.000 0.818 437 V HN 0.916 nan 8.190 nan 0.000 0.436 438 D N -1.161 118.953 120.400 -0.477 0.000 2.609 438 D HA 0.514 5.156 4.640 0.004 0.000 0.239 438 D C -1.817 174.045 176.300 -0.729 0.000 1.229 438 D CA -0.173 53.624 54.000 -0.338 0.000 0.808 438 D CB 2.634 43.432 40.800 -0.004 0.000 1.448 438 D HN -0.031 nan 8.370 nan 0.000 0.433 439 F N 0.851 120.669 119.950 -0.220 0.000 2.581 439 F HA 0.567 5.096 4.527 0.003 0.000 0.311 439 F C -0.690 175.046 175.800 -0.106 0.000 1.113 439 F CA -0.738 57.243 58.000 -0.031 0.000 0.935 439 F CB 1.608 40.533 39.000 -0.125 0.000 1.232 439 F HN 0.056 nan 8.300 nan 0.000 0.445 440 F N 1.214 121.471 119.950 0.512 0.000 2.547 440 F HA 0.850 5.380 4.527 0.004 0.000 0.316 440 F C 0.353 176.337 175.800 0.306 0.000 1.121 440 F CA -1.082 57.112 58.000 0.323 0.000 0.911 440 F CB 1.957 41.072 39.000 0.191 0.000 1.179 440 F HN 0.721 nan 8.300 nan 0.000 0.443 441 G N 0.840 109.673 108.800 0.054 0.000 2.339 441 G HA2 0.480 4.442 3.960 0.004 0.000 0.275 441 G HA3 0.480 4.442 3.960 0.004 0.000 0.275 441 G C -2.009 172.542 174.900 -0.581 0.000 1.323 441 G CA -0.362 44.689 45.100 -0.081 0.000 0.927 441 G HN 0.901 nan 8.290 nan 0.000 0.486 442 A N 0.266 122.912 122.820 -0.290 0.000 2.478 442 A HA 0.881 5.203 4.320 0.004 0.000 0.327 442 A C -0.323 177.183 177.584 -0.130 0.000 1.431 442 A CA 0.333 52.205 52.037 -0.275 0.000 1.014 442 A CB -1.037 17.893 19.000 -0.117 0.000 1.143 442 A HN 2.123 nan 8.150 nan 0.000 0.532 443 F N -0.386 119.573 119.950 0.015 0.000 2.978 443 F HA 0.582 5.111 4.527 0.003 0.000 0.324 443 F C -1.553 174.284 175.800 0.063 0.000 1.157 443 F CA -1.933 56.085 58.000 0.030 0.000 0.879 443 F CB 0.642 39.643 39.000 0.003 0.000 1.364 443 F HN 0.293 nan 8.300 nan 0.000 0.465 444 Y N 1.983 122.482 120.300 0.331 0.000 2.364 444 Y HA 0.825 5.377 4.550 0.004 0.000 0.340 444 Y C -1.128 174.866 175.900 0.157 0.000 0.975 444 Y CA -1.306 56.904 58.100 0.185 0.000 1.089 444 Y CB 1.826 40.331 38.460 0.075 0.000 1.192 444 Y HN 0.703 nan 8.280 nan 0.000 0.454 445 M N 4.762 124.137 119.600 -0.376 0.000 2.224 445 M HA 0.201 4.683 4.480 0.004 0.000 0.281 445 M C -0.062 175.980 176.300 -0.430 0.000 1.025 445 M CA -0.401 54.716 55.300 -0.305 0.000 0.954 445 M CB 2.406 34.872 32.600 -0.223 0.000 1.639 445 M HN 0.775 nan 8.290 nan 0.000 0.461 446 S N 1.239 116.789 115.700 -0.249 0.000 2.506 446 S HA 0.169 4.641 4.470 0.004 0.000 0.219 446 S C 0.324 174.866 174.600 -0.096 0.000 1.031 446 S CA -0.217 57.891 58.200 -0.154 0.000 0.911 446 S CB -0.098 63.108 63.200 0.010 0.000 0.812 446 S HN 0.840 nan 8.310 nan 0.000 0.497 447 N N 0.863 119.500 118.700 -0.106 0.000 3.255 447 N HA 0.241 4.983 4.740 0.004 0.000 0.359 447 N C 0.143 175.593 175.510 -0.099 0.000 1.463 447 N CA -0.007 52.995 53.050 -0.080 0.000 0.695 447 N CB 0.603 39.054 38.487 -0.060 0.000 1.581 447 N HN 0.107 nan 8.380 nan 0.000 0.622 448 T N -4.193 110.326 114.554 -0.058 0.000 3.092 448 T HA 0.151 4.503 4.350 0.004 0.000 0.258 448 T C 1.090 175.771 174.700 -0.033 0.000 1.031 448 T CA 0.683 62.784 62.100 0.002 0.000 0.925 448 T CB -0.582 68.331 68.868 0.074 0.000 1.036 448 T HN 0.712 nan 8.240 nan 0.000 0.544 449 T N -2.290 112.175 114.554 -0.149 0.000 3.075 449 T HA 0.210 4.562 4.350 0.004 0.000 0.251 449 T C 0.045 174.576 174.700 -0.282 0.000 0.979 449 T CA -0.157 61.849 62.100 -0.156 0.000 1.033 449 T CB -0.071 68.765 68.868 -0.054 0.000 1.104 449 T HN 0.154 nan 8.240 nan 0.000 0.473 450 D N 2.764 123.014 120.400 -0.251 0.000 2.352 450 D HA 0.369 5.012 4.640 0.004 0.000 0.245 450 D C -0.619 175.479 176.300 -0.337 0.000 1.224 450 D CA -0.101 53.765 54.000 -0.223 0.000 0.879 450 D CB 1.629 42.364 40.800 -0.109 0.000 1.057 450 D HN 0.159 nan 8.370 nan 0.000 0.491 451 V N 3.820 123.493 119.914 -0.402 0.000 2.338 451 V HA 0.019 4.142 4.120 0.004 0.000 0.255 451 V C 0.730 176.703 176.094 -0.203 0.000 1.082 451 V CA -0.380 61.615 62.300 -0.509 0.000 0.951 451 V CB -0.105 31.357 31.823 -0.601 0.000 1.102 451 V HN 0.301 nan 8.190 nan 0.000 0.489 452 E N 5.136 125.292 120.200 -0.073 0.000 2.290 452 E HA 0.418 4.770 4.350 0.004 0.000 0.277 452 E C -0.792 175.879 176.600 0.118 0.000 1.035 452 E CA -0.195 56.240 56.400 0.058 0.000 0.873 452 E CB 1.061 30.844 29.700 0.140 0.000 1.029 452 E HN 0.526 nan 8.360 nan 0.000 0.419 453 L N 2.944 124.222 121.223 0.091 0.000 2.401 453 L HA 0.295 4.638 4.340 0.004 0.000 0.263 453 L C 0.968 177.881 176.870 0.071 0.000 1.004 453 L CA -0.360 54.537 54.840 0.096 0.000 0.881 453 L CB 1.370 43.474 42.059 0.075 0.000 1.219 453 L HN 0.676 nan 8.230 nan 0.000 0.441 454 A N 2.567 125.424 122.820 0.061 0.000 1.917 454 A HA 0.096 4.418 4.320 0.004 0.000 0.219 454 A C 1.100 178.711 177.584 0.046 0.000 1.182 454 A CA 1.758 53.826 52.037 0.051 0.000 0.633 454 A CB -0.322 18.690 19.000 0.021 0.000 0.819 454 A HN 0.698 nan 8.150 nan 0.000 0.448 455 G N -2.333 106.457 108.800 -0.017 0.000 2.612 455 G HA2 0.563 4.525 3.960 0.004 0.000 0.298 455 G HA3 0.563 4.525 3.960 0.004 0.000 0.298 455 G C -1.639 173.187 174.900 -0.124 0.000 1.336 455 G CA -0.302 44.723 45.100 -0.125 0.000 0.953 455 G HN 0.718 nan 8.290 nan 0.000 0.482 456 L N 0.670 121.774 121.223 -0.199 0.000 2.472 456 L HA 0.794 5.137 4.340 0.004 0.000 0.260 456 L C -1.599 175.173 176.870 -0.164 0.000 0.963 456 L CA -0.685 54.071 54.840 -0.139 0.000 0.829 456 L CB 2.516 44.509 42.059 -0.111 0.000 1.348 456 L HN 0.867 nan 8.230 nan 0.000 0.408 457 D N 1.403 121.745 120.400 -0.097 0.000 2.552 457 D HA 0.522 5.165 4.640 0.004 0.000 0.239 457 D C 0.593 176.876 176.300 -0.029 0.000 1.139 457 D CA -0.276 53.685 54.000 -0.065 0.000 0.914 457 D CB 1.540 42.320 40.800 -0.033 0.000 1.461 457 D HN 0.645 nan 8.370 nan 0.000 0.462 458 G N -0.436 108.360 108.800 -0.006 0.000 2.916 458 G HA2 -0.069 3.894 3.960 0.004 0.000 0.205 458 G HA3 -0.069 3.894 3.960 0.004 0.000 0.205 458 G C 0.155 175.069 174.900 0.024 0.000 1.163 458 G CA 0.229 45.341 45.100 0.020 0.000 0.821 458 G HN 0.496 nan 8.290 nan 0.000 0.515 459 D N -0.366 120.044 120.400 0.016 0.000 2.470 459 D HA 0.060 4.702 4.640 0.004 0.000 0.238 459 D C 0.937 177.240 176.300 0.005 0.000 1.054 459 D CA 0.199 54.207 54.000 0.014 0.000 0.896 459 D CB 0.396 41.208 40.800 0.020 0.000 1.118 459 D HN 0.032 nan 8.370 nan 0.000 0.497 460 K N 1.115 121.516 120.400 0.002 0.000 2.319 460 K HA 0.262 4.585 4.320 0.004 0.000 0.265 460 K C 0.268 176.891 176.600 0.038 0.000 1.000 460 K CA 0.265 56.557 56.287 0.008 0.000 0.943 460 K CB 1.005 33.508 32.500 0.005 0.000 0.950 460 K HN -0.051 nan 8.250 nan 0.000 0.485 461 T N 0.422 115.009 114.554 0.056 0.000 2.952 461 T HA 0.427 4.779 4.350 0.004 0.000 0.305 461 T C -1.399 173.391 174.700 0.150 0.000 1.064 461 T CA -0.668 61.484 62.100 0.087 0.000 1.008 461 T CB 1.074 69.979 68.868 0.062 0.000 1.078 461 T HN 0.121 nan 8.240 nan 0.000 0.459 462 V N 4.649 124.674 119.914 0.184 0.000 2.417 462 V HA 0.553 4.676 4.120 0.004 0.000 0.291 462 V C 0.247 176.490 176.094 0.248 0.000 1.024 462 V CA -0.631 61.839 62.300 0.283 0.000 0.861 462 V CB 1.942 33.916 31.823 0.251 0.000 0.985 462 V HN 1.029 nan 8.190 nan 0.000 0.436 463 T N 4.464 119.209 114.554 0.318 0.000 2.794 463 T HA 0.619 4.971 4.350 0.004 0.000 0.280 463 T C -0.400 174.439 174.700 0.233 0.000 0.987 463 T CA -0.373 61.874 62.100 0.244 0.000 0.993 463 T CB 1.565 70.564 68.868 0.219 0.000 0.939 463 T HN 0.358 nan 8.240 nan 0.000 0.449 464 V N 3.238 123.155 119.914 0.005 0.000 2.487 464 V HA 0.458 4.580 4.120 0.004 0.000 0.298 464 V C 0.059 175.822 176.094 -0.552 0.000 1.028 464 V CA -0.921 61.141 62.300 -0.397 0.000 0.860 464 V CB 1.713 33.215 31.823 -0.535 0.000 0.991 464 V HN 0.894 nan 8.190 nan 0.000 0.427 465 E N 3.654 123.474 120.200 -0.634 0.000 2.204 465 E HA 0.655 5.007 4.350 0.004 0.000 0.276 465 E C -1.758 174.416 176.600 -0.710 0.000 0.974 465 E CA -0.477 55.614 56.400 -0.515 0.000 0.815 465 E CB 1.313 30.854 29.700 -0.266 0.000 1.119 465 E HN 0.475 nan 8.360 nan 0.000 0.393 466 F N 2.321 122.127 119.950 -0.239 0.000 2.546 466 F HA 0.536 5.066 4.527 0.004 0.000 0.320 466 F C 0.248 175.958 175.800 -0.151 0.000 1.076 466 F CA -0.994 56.892 58.000 -0.189 0.000 0.928 466 F CB 1.675 40.560 39.000 -0.191 0.000 1.189 466 F HN 0.181 nan 8.300 nan 0.000 0.465 467 K N 0.112 120.551 120.400 0.066 0.000 2.400 467 K HA 0.402 4.725 4.320 0.004 0.000 0.246 467 K C -1.165 175.450 176.600 0.025 0.000 0.995 467 K CA -1.113 55.209 56.287 0.058 0.000 0.840 467 K CB 1.688 34.217 32.500 0.049 0.000 1.293 467 K HN 0.608 nan 8.250 nan 0.000 0.445 468 H N 0.449 119.526 119.070 0.013 0.000 2.815 468 H HA 0.008 4.567 4.556 0.004 0.000 0.350 468 H C 0.419 175.758 175.328 0.017 0.000 1.080 468 H CA 0.794 56.848 56.048 0.010 0.000 1.433 468 H CB 0.853 30.613 29.762 -0.002 0.000 1.432 468 H HN 0.677 nan 8.280 nan 0.000 0.592 469 D N -0.405 120.044 120.400 0.082 0.000 2.469 469 D HA 0.032 4.674 4.640 0.004 0.000 0.240 469 D C -0.083 176.256 176.300 0.066 0.000 1.087 469 D CA 0.222 54.258 54.000 0.060 0.000 0.876 469 D CB 0.984 41.803 40.800 0.032 0.000 1.160 469 D HN 0.519 nan 8.370 nan 0.000 0.497 470 D N -1.194 119.256 120.400 0.084 0.000 2.946 470 D HA 0.191 4.834 4.640 0.004 0.000 0.337 470 D C -1.347 175.021 176.300 0.114 0.000 1.332 470 D CA -0.601 53.443 54.000 0.074 0.000 0.935 470 D CB 1.078 41.904 40.800 0.044 0.000 1.440 470 D HN -0.078 nan 8.370 nan 0.000 0.540 471 R N 1.056 121.602 120.500 0.077 0.000 2.349 471 R HA 0.554 4.896 4.340 0.004 0.000 0.299 471 R C -0.509 175.832 176.300 0.069 0.000 1.027 471 R CA -0.431 55.717 56.100 0.079 0.000 0.958 471 R CB 0.519 30.842 30.300 0.038 0.000 1.047 471 R HN 0.347 nan 8.270 nan 0.000 0.468 472 L N 2.550 123.824 121.223 0.085 0.000 2.375 472 L HA 0.354 4.696 4.340 0.004 0.000 0.268 472 L C 0.345 177.228 176.870 0.021 0.000 1.058 472 L CA -1.013 53.851 54.840 0.041 0.000 0.803 472 L CB 1.283 43.367 42.059 0.042 0.000 1.212 472 L HN 0.655 nan 8.230 nan 0.000 0.451 473 N N 0.814 119.514 118.700 0.000 0.000 2.473 473 N HA 0.040 4.782 4.740 0.004 0.000 0.291 473 N C 0.358 175.864 175.510 -0.005 0.000 1.083 473 N CA -0.077 52.971 53.050 -0.002 0.000 0.951 473 N CB 1.911 40.393 38.487 -0.009 0.000 1.164 473 N HN 0.684 nan 8.380 nan 0.000 0.480 474 E N 1.897 122.097 120.200 0.000 0.000 2.285 474 E HA -0.072 4.280 4.350 0.004 0.000 0.194 474 E C 0.305 176.904 176.600 -0.002 0.000 0.997 474 E CA 0.954 57.355 56.400 0.001 0.000 0.845 474 E CB 0.351 30.054 29.700 0.006 0.000 0.782 474 E HN 0.648 nan 8.360 nan 0.000 0.491 475 E N -0.602 119.597 120.200 -0.003 0.000 2.340 475 E HA 0.036 4.388 4.350 0.004 0.000 0.194 475 E C 1.764 178.360 176.600 -0.008 0.000 0.996 475 E CA 0.389 56.789 56.400 -0.001 0.000 0.869 475 E CB 0.527 30.229 29.700 0.003 0.000 0.835 475 E HN 0.051 nan 8.360 nan 0.000 0.493 476 S N -0.188 115.500 115.700 -0.020 0.000 2.441 476 S HA 0.201 4.673 4.470 0.004 0.000 0.224 476 S C 1.026 175.587 174.600 -0.065 0.000 1.043 476 S CA 0.408 58.585 58.200 -0.038 0.000 0.948 476 S CB 0.361 63.535 63.200 -0.044 0.000 0.810 476 S HN 0.462 nan 8.310 nan 0.000 0.504 477 G N 1.316 110.079 108.800 -0.061 0.000 2.642 477 G HA2 0.149 4.111 3.960 0.004 0.000 0.231 477 G HA3 0.149 4.111 3.960 0.004 0.000 0.231 477 G C -0.378 174.444 174.900 -0.129 0.000 1.338 477 G CA -0.538 44.512 45.100 -0.083 0.000 0.883 477 G HN 1.067 nan 8.290 nan 0.000 0.570 478 A N -1.217 121.500 122.820 -0.171 0.000 2.413 478 A HA 0.890 5.212 4.320 0.004 0.000 0.307 478 A C -0.587 176.820 177.584 -0.296 0.000 1.087 478 A CA -0.426 51.480 52.037 -0.218 0.000 0.750 478 A CB 1.729 20.598 19.000 -0.219 0.000 1.296 478 A HN 1.443 nan 8.150 nan 0.000 0.423 479 L N 1.357 122.391 121.223 -0.315 0.000 2.385 479 L HA 0.549 4.892 4.340 0.004 0.000 0.273 479 L C -1.203 175.615 176.870 -0.086 0.000 0.990 479 L CA -0.370 54.254 54.840 -0.361 0.000 0.821 479 L CB 1.897 43.530 42.059 -0.710 0.000 1.279 479 L HN 0.609 nan 8.230 nan 0.000 0.412 480 L N 3.727 124.920 121.223 -0.051 0.000 2.325 480 L HA 0.529 4.871 4.340 0.004 0.000 0.281 480 L C -0.640 176.344 176.870 0.191 0.000 1.004 480 L CA -0.362 54.502 54.840 0.041 0.000 0.823 480 L CB 1.992 43.988 42.059 -0.105 0.000 1.236 480 L HN 0.597 nan 8.230 nan 0.000 0.415 481 Q N 2.514 122.456 119.800 0.236 0.000 2.353 481 Q HA 0.443 4.785 4.340 0.004 0.000 0.268 481 Q C -1.629 174.454 176.000 0.138 0.000 1.045 481 Q CA -0.490 55.434 55.803 0.201 0.000 0.811 481 Q CB 2.839 31.659 28.738 0.136 0.000 1.305 481 Q HN 0.717 nan 8.270 nan 0.000 0.447 482 C N 3.120 122.500 119.300 0.135 0.000 2.369 482 C HA 0.920 5.382 4.460 0.004 0.000 0.322 482 C C -0.740 174.282 174.990 0.053 0.000 1.258 482 C CA -0.181 58.912 59.018 0.124 0.000 1.487 482 C CB 0.231 28.072 27.740 0.168 0.000 2.165 482 C HN 0.832 nan 8.230 nan 0.000 0.483 483 A N 5.772 128.626 122.820 0.057 0.000 2.304 483 A HA 0.724 5.047 4.320 0.004 0.000 0.314 483 A C -1.118 176.481 177.584 0.026 0.000 1.187 483 A CA -0.460 51.569 52.037 -0.014 0.000 0.810 483 A CB 0.935 19.971 19.000 0.060 0.000 1.183 483 A HN 1.112 nan 8.150 nan 0.000 0.487 484 L N 3.600 124.827 121.223 0.007 0.000 2.294 484 L HA 0.671 5.013 4.340 0.004 0.000 0.283 484 L C -1.150 175.810 176.870 0.151 0.000 1.015 484 L CA -0.608 54.286 54.840 0.091 0.000 0.831 484 L CB 1.336 43.458 42.059 0.104 0.000 1.217 484 L HN 0.633 nan 8.230 nan 0.000 0.420 485 L N 7.284 128.597 121.223 0.150 0.000 2.264 485 L HA 0.633 4.975 4.340 0.004 0.000 0.289 485 L C -1.116 175.882 176.870 0.214 0.000 1.044 485 L CA -0.072 54.846 54.840 0.131 0.000 0.807 485 L CB 0.719 42.865 42.059 0.145 0.000 1.192 485 L HN 0.668 nan 8.230 nan 0.000 0.425 486 Y N 0.919 121.256 120.300 0.061 0.000 2.609 486 Y HA 0.709 5.261 4.550 0.004 0.000 0.336 486 Y C -0.941 175.025 175.900 0.110 0.000 1.129 486 Y CA -1.107 57.044 58.100 0.085 0.000 1.040 486 Y CB 1.007 39.507 38.460 0.068 0.000 1.310 486 Y HN 0.397 nan 8.280 nan 0.000 0.460 487 T N 2.917 117.647 114.554 0.293 0.000 2.767 487 T HA 0.464 4.816 4.350 0.004 0.000 0.284 487 T C -0.024 174.944 174.700 0.447 0.000 0.973 487 T CA -0.496 61.737 62.100 0.222 0.000 0.996 487 T CB 0.716 69.708 68.868 0.206 0.000 0.927 487 T HN 0.854 nan 8.240 nan 0.000 0.456 488 S N 1.348 117.239 115.700 0.319 0.000 2.655 488 S HA 0.094 4.567 4.470 0.004 0.000 0.265 488 S C 2.158 176.951 174.600 0.322 0.000 1.240 488 S CA -0.398 58.050 58.200 0.413 0.000 0.986 488 S CB 0.066 63.440 63.200 0.289 0.000 0.985 488 S HN 0.981 nan 8.310 nan 0.000 0.562 489 C N -0.560 118.941 119.300 0.336 0.000 2.419 489 C HA 0.221 4.684 4.460 0.004 0.000 0.283 489 C C 2.418 177.428 174.990 0.034 0.000 1.373 489 C CA 0.333 59.481 59.018 0.217 0.000 1.781 489 C CB -2.210 25.683 27.740 0.254 0.000 1.886 489 C HN 0.919 nan 8.230 nan 0.000 0.520 490 A N 0.105 122.959 122.820 0.057 0.000 2.251 490 A HA 0.493 4.816 4.320 0.004 0.000 0.209 490 A C 1.920 179.492 177.584 -0.020 0.000 1.187 490 A CA 1.072 53.111 52.037 0.004 0.000 0.823 490 A CB -1.093 17.916 19.000 0.015 0.000 0.846 490 A HN 1.816 nan 8.150 nan 0.000 0.486 491 G N -0.842 107.952 108.800 -0.009 0.000 2.147 491 G HA2 -0.268 3.695 3.960 0.004 0.000 0.244 491 G HA3 -0.268 3.695 3.960 0.004 0.000 0.244 491 G C 0.027 174.924 174.900 -0.005 0.000 1.005 491 G CA 0.416 45.505 45.100 -0.018 0.000 0.713 491 G HN 0.842 nan 8.290 nan 0.000 0.515 492 Q N -0.595 119.204 119.800 -0.001 0.000 2.256 492 Q HA 0.647 4.990 4.340 0.004 0.000 0.257 492 Q C 0.245 176.218 176.000 -0.046 0.000 0.936 492 Q CA -1.097 54.682 55.803 -0.041 0.000 0.903 492 Q CB 0.784 29.485 28.738 -0.060 0.000 1.263 492 Q HN 0.224 nan 8.270 nan 0.000 0.440 493 R N 2.768 123.255 120.500 -0.022 0.000 2.265 493 R HA 0.342 4.684 4.340 0.004 0.000 0.314 493 R C -0.949 175.243 176.300 -0.180 0.000 1.053 493 R CA 0.313 56.382 56.100 -0.052 0.000 0.931 493 R CB 0.555 30.922 30.300 0.112 0.000 1.024 493 R HN 0.657 nan 8.270 nan 0.000 0.457 494 R N 3.128 123.376 120.500 -0.420 0.000 2.817 494 R HA 0.550 4.892 4.340 0.004 0.000 0.268 494 R C -1.072 174.939 176.300 -0.481 0.000 1.027 494 R CA -1.025 54.806 56.100 -0.448 0.000 0.928 494 R CB 1.669 31.674 30.300 -0.492 0.000 1.228 494 R HN 0.357 nan 8.270 nan 0.000 0.469 495 L N 0.732 121.796 121.223 -0.263 0.000 2.354 495 L HA 0.609 4.952 4.340 0.004 0.000 0.269 495 L C -0.512 176.292 176.870 -0.110 0.000 1.005 495 L CA -0.720 54.023 54.840 -0.162 0.000 0.819 495 L CB 2.153 44.089 42.059 -0.205 0.000 1.311 495 L HN 0.411 nan 8.230 nan 0.000 0.423 496 R N 2.411 122.860 120.500 -0.085 0.000 2.451 496 R HA 0.633 4.975 4.340 0.004 0.000 0.307 496 R C -1.569 174.480 176.300 -0.420 0.000 0.965 496 R CA -0.629 55.334 56.100 -0.229 0.000 0.865 496 R CB 1.113 31.339 30.300 -0.123 0.000 1.174 496 R HN 0.418 nan 8.270 nan 0.000 0.455 497 I N 3.988 124.177 120.570 -0.634 0.000 2.412 497 I HA 0.346 4.518 4.170 0.004 0.000 0.296 497 I C -0.294 175.315 176.117 -0.847 0.000 0.987 497 I CA -0.573 60.345 61.300 -0.636 0.000 1.180 497 I CB 1.460 39.118 38.000 -0.571 0.000 1.340 497 I HN 0.522 nan 8.210 nan 0.000 0.455 498 H N 5.340 124.248 119.070 -0.270 0.000 2.609 498 H HA 0.499 5.057 4.556 0.004 0.000 0.344 498 H C -0.880 174.437 175.328 -0.018 0.000 1.040 498 H CA -0.665 55.269 56.048 -0.189 0.000 1.216 498 H CB 1.714 31.393 29.762 -0.139 0.000 1.529 498 H HN 0.468 nan 8.280 nan 0.000 0.519 499 N N 2.836 121.651 118.700 0.190 0.000 2.342 499 N HA 0.291 5.034 4.740 0.004 0.000 0.293 499 N C -1.074 174.611 175.510 0.291 0.000 1.026 499 N CA -0.655 52.576 53.050 0.301 0.000 0.857 499 N CB 2.924 41.705 38.487 0.490 0.000 1.256 499 N HN 0.303 nan 8.380 nan 0.000 0.484 500 L N 1.715 123.037 121.223 0.164 0.000 2.476 500 L HA 0.657 5.000 4.340 0.004 0.000 0.269 500 L C -1.053 175.753 176.870 -0.107 0.000 0.965 500 L CA -0.598 54.298 54.840 0.093 0.000 0.845 500 L CB 1.610 43.721 42.059 0.086 0.000 1.259 500 L HN 0.608 nan 8.230 nan 0.000 0.403 501 A N 5.704 128.444 122.820 -0.133 0.000 2.306 501 A HA 0.873 5.196 4.320 0.004 0.000 0.314 501 A C -1.036 176.486 177.584 -0.103 0.000 1.164 501 A CA -0.465 51.400 52.037 -0.286 0.000 0.822 501 A CB 0.656 19.456 19.000 -0.333 0.000 1.130 501 A HN 0.744 nan 8.150 nan 0.000 0.496 502 L N 1.342 122.481 121.223 -0.140 0.000 2.283 502 L HA 0.482 4.825 4.340 0.004 0.000 0.259 502 L C -0.276 176.557 176.870 -0.062 0.000 1.027 502 L CA -1.211 53.585 54.840 -0.073 0.000 0.828 502 L CB 1.819 43.790 42.059 -0.147 0.000 1.380 502 L HN 0.637 nan 8.230 nan 0.000 0.425 503 N N -0.524 118.166 118.700 -0.017 0.000 2.489 503 N HA 0.475 5.217 4.740 0.004 0.000 0.284 503 N C -1.280 174.213 175.510 -0.028 0.000 1.158 503 N CA -0.279 52.763 53.050 -0.012 0.000 0.965 503 N CB 1.831 40.330 38.487 0.020 0.000 1.195 503 N HN 0.447 nan 8.380 nan 0.000 0.506 504 C N 1.133 120.422 119.300 -0.019 0.000 2.441 504 C HA 0.644 5.107 4.460 0.004 0.000 0.318 504 C C 0.225 175.217 174.990 0.004 0.000 1.222 504 C CA -1.028 57.983 59.018 -0.010 0.000 1.474 504 C CB -0.389 27.343 27.740 -0.013 0.000 2.125 504 C HN 0.825 nan 8.230 nan 0.000 0.479 505 C N 1.435 120.742 119.300 0.011 0.000 2.802 505 C HA 0.852 5.314 4.460 0.004 0.000 0.307 505 C C 1.101 176.100 174.990 0.015 0.000 1.222 505 C CA -0.212 58.815 59.018 0.015 0.000 1.580 505 C CB 0.862 28.614 27.740 0.020 0.000 2.119 505 C HN 0.951 nan 8.230 nan 0.000 0.479 506 T N -2.159 112.405 114.554 0.015 0.000 3.001 506 T HA 0.156 4.508 4.350 0.004 0.000 0.251 506 T C 0.270 174.982 174.700 0.019 0.000 1.040 506 T CA 0.379 62.485 62.100 0.011 0.000 0.985 506 T CB -0.075 68.799 68.868 0.009 0.000 1.011 506 T HN 0.769 nan 8.240 nan 0.000 0.509 507 Q N 1.124 120.942 119.800 0.030 0.000 2.314 507 Q HA 0.454 4.796 4.340 0.004 0.000 0.259 507 Q C 1.019 177.063 176.000 0.073 0.000 0.951 507 Q CA -0.306 55.524 55.803 0.045 0.000 0.909 507 Q CB 2.117 30.881 28.738 0.044 0.000 1.236 507 Q HN 0.315 nan 8.270 nan 0.000 0.444 508 L N 1.373 122.654 121.223 0.098 0.000 2.137 508 L HA -0.327 4.015 4.340 0.004 0.000 0.213 508 L C 2.026 179.070 176.870 0.290 0.000 1.085 508 L CA 1.775 56.723 54.840 0.179 0.000 0.760 508 L CB -0.378 41.811 42.059 0.217 0.000 0.893 508 L HN 0.734 nan 8.230 nan 0.000 0.434 509 A N -0.345 122.610 122.820 0.225 0.000 1.877 509 A HA -0.224 4.098 4.320 0.004 0.000 0.216 509 A C 1.898 179.603 177.584 0.202 0.000 1.186 509 A CA 1.843 54.033 52.037 0.256 0.000 0.620 509 A CB -0.502 18.592 19.000 0.158 0.000 0.822 509 A HN 0.378 nan 8.150 nan 0.000 0.443 510 D N -0.116 120.357 120.400 0.122 0.000 2.265 510 D HA -0.128 4.514 4.640 0.004 0.000 0.208 510 D C 1.714 178.051 176.300 0.062 0.000 0.977 510 D CA 0.638 54.686 54.000 0.080 0.000 0.871 510 D CB -0.152 40.680 40.800 0.054 0.000 0.925 510 D HN 0.363 nan 8.370 nan 0.000 0.485 511 L N -0.378 120.878 121.223 0.055 0.000 2.102 511 L HA -0.117 4.225 4.340 0.004 0.000 0.202 511 L C 1.698 178.505 176.870 -0.106 0.000 1.076 511 L CA 1.411 56.218 54.840 -0.054 0.000 0.761 511 L CB -0.841 41.141 42.059 -0.129 0.000 0.921 511 L HN -0.023 nan 8.230 nan 0.000 0.444 512 Y N 0.482 120.800 120.300 0.029 0.000 2.509 512 Y HA -0.032 4.520 4.550 0.004 0.000 0.293 512 Y C 2.623 178.496 175.900 -0.044 0.000 1.133 512 Y CA 0.769 58.855 58.100 -0.023 0.000 1.283 512 Y CB -0.109 38.338 38.460 -0.021 0.000 1.001 512 Y HN 0.186 nan 8.280 nan 0.000 0.555 513 R N -0.289 120.285 120.500 0.124 0.000 2.240 513 R HA 0.050 4.392 4.340 0.004 0.000 0.203 513 R C 0.340 176.664 176.300 0.040 0.000 1.011 513 R CA 0.618 56.761 56.100 0.072 0.000 1.007 513 R CB 0.072 30.417 30.300 0.075 0.000 0.911 513 R HN 0.250 nan 8.270 nan 0.000 0.468 514 N N -0.111 118.615 118.700 0.042 0.000 2.467 514 N HA 0.123 4.865 4.740 0.004 0.000 0.278 514 N C -0.769 174.804 175.510 0.105 0.000 1.306 514 N CA -0.059 53.029 53.050 0.064 0.000 0.905 514 N CB 0.835 39.375 38.487 0.088 0.000 1.236 514 N HN 0.035 nan 8.380 nan 0.000 0.509 515 C N 0.525 119.856 119.300 0.050 0.000 2.328 515 C HA 0.449 4.912 4.460 0.004 0.000 0.378 515 C C 0.841 175.877 174.990 0.076 0.000 1.249 515 C CA -0.364 58.683 59.018 0.047 0.000 2.204 515 C CB 1.365 29.089 27.740 -0.027 0.000 2.218 515 C HN 0.425 nan 8.230 nan 0.000 0.564 516 E N -0.290 119.956 120.200 0.077 0.000 2.373 516 E HA 0.297 4.649 4.350 0.004 0.000 0.251 516 E C 0.402 177.018 176.600 0.027 0.000 0.923 516 E CA -0.150 56.291 56.400 0.068 0.000 0.798 516 E CB 0.814 30.609 29.700 0.158 0.000 1.303 516 E HN 0.607 nan 8.360 nan 0.000 0.412 517 T N 3.122 117.686 114.554 0.018 0.000 2.684 517 T HA -0.151 4.201 4.350 0.004 0.000 0.267 517 T C 0.842 175.530 174.700 -0.021 0.000 1.036 517 T CA 1.658 63.771 62.100 0.022 0.000 1.148 517 T CB -0.130 68.781 68.868 0.072 0.000 0.863 517 T HN 0.512 nan 8.240 nan 0.000 0.436 518 D N 0.811 121.179 120.400 -0.053 0.000 2.182 518 D HA -0.074 4.568 4.640 0.004 0.000 0.201 518 D C 2.153 178.404 176.300 -0.082 0.000 0.986 518 D CA 1.258 55.180 54.000 -0.130 0.000 0.847 518 D CB -0.225 40.505 40.800 -0.117 0.000 0.942 518 D HN 0.376 nan 8.370 nan 0.000 0.467 519 T N 1.156 115.693 114.554 -0.029 0.000 2.896 519 T HA 0.006 4.359 4.350 0.004 0.000 0.263 519 T C 2.280 176.972 174.700 -0.013 0.000 1.050 519 T CA 0.166 62.260 62.100 -0.011 0.000 1.140 519 T CB -0.047 68.831 68.868 0.017 0.000 0.877 519 T HN 0.095 nan 8.240 nan 0.000 0.457 520 L N 0.699 121.914 121.223 -0.014 0.000 2.017 520 L HA -0.085 4.257 4.340 0.004 0.000 0.208 520 L C 2.435 179.288 176.870 -0.029 0.000 1.073 520 L CA 0.957 55.801 54.840 0.006 0.000 0.745 520 L CB -0.483 41.576 42.059 -0.000 0.000 0.894 520 L HN 0.236 nan 8.230 nan 0.000 0.432 521 I N 0.064 120.580 120.570 -0.089 0.000 2.286 521 I HA -0.311 3.861 4.170 0.004 0.000 0.248 521 I C 2.399 178.379 176.117 -0.228 0.000 1.115 521 I CA 1.388 62.576 61.300 -0.187 0.000 1.392 521 I CB -1.395 36.460 38.000 -0.241 0.000 1.065 521 I HN 0.487 nan 8.210 nan 0.000 0.418 522 N N 0.619 119.237 118.700 -0.137 0.000 2.166 522 N HA -0.264 4.478 4.740 0.004 0.000 0.186 522 N C 2.114 177.537 175.510 -0.146 0.000 1.019 522 N CA 1.365 54.349 53.050 -0.110 0.000 0.856 522 N CB -0.119 38.341 38.487 -0.045 0.000 0.993 522 N HN 0.393 nan 8.380 nan 0.000 0.426 523 Y N 1.990 122.157 120.300 -0.223 0.000 2.243 523 Y HA 0.005 4.558 4.550 0.004 0.000 0.293 523 Y C 2.600 178.307 175.900 -0.321 0.000 1.124 523 Y CA 1.805 59.721 58.100 -0.308 0.000 1.159 523 Y CB -0.481 37.807 38.460 -0.285 0.000 1.008 523 Y HN 0.094 nan 8.280 nan 0.000 0.527 524 M N -0.717 118.538 119.600 -0.576 0.000 2.394 524 M HA 0.130 4.612 4.480 0.004 0.000 0.264 524 M C 1.948 178.018 176.300 -0.383 0.000 1.073 524 M CA 1.706 56.676 55.300 -0.549 0.000 1.111 524 M CB -0.624 31.821 32.600 -0.260 0.000 1.401 524 M HN 0.213 nan 8.290 nan 0.000 0.448 525 A N 1.789 124.355 122.820 -0.425 0.000 1.930 525 A HA -0.030 4.292 4.320 0.004 0.000 0.215 525 A C 2.175 179.463 177.584 -0.493 0.000 1.176 525 A CA 1.265 53.010 52.037 -0.486 0.000 0.632 525 A CB -0.383 18.238 19.000 -0.632 0.000 0.819 525 A HN 0.587 nan 8.150 nan 0.000 0.445 526 K N -1.601 118.543 120.400 -0.428 0.000 2.211 526 K HA -0.039 4.283 4.320 0.004 0.000 0.203 526 K C 1.655 178.178 176.600 -0.128 0.000 1.050 526 K CA 1.216 57.338 56.287 -0.276 0.000 0.945 526 K CB -0.228 32.117 32.500 -0.257 0.000 0.732 526 K HN 0.494 nan 8.250 nan 0.000 0.451 527 F N 1.636 121.282 119.950 -0.506 0.000 2.128 527 F HA -0.071 4.459 4.527 0.004 0.000 0.295 527 F C 2.216 177.982 175.800 -0.056 0.000 1.100 527 F CA 1.144 58.982 58.000 -0.270 0.000 1.260 527 F CB -0.285 38.357 39.000 -0.598 0.000 1.009 527 F HN -0.065 nan 8.300 nan 0.000 0.476 528 A N -0.775 122.048 122.820 0.006 0.000 1.930 528 A HA -0.200 4.122 4.320 0.004 0.000 0.217 528 A C 2.154 179.795 177.584 0.095 0.000 1.175 528 A CA 1.534 53.590 52.037 0.033 0.000 0.627 528 A CB -1.609 17.459 19.000 0.114 0.000 0.815 528 A HN 0.604 nan 8.150 nan 0.000 0.443 529 Y N -1.157 119.072 120.300 -0.118 0.000 2.352 529 Y HA -0.121 4.431 4.550 0.004 0.000 0.292 529 Y C 2.704 178.500 175.900 -0.174 0.000 1.136 529 Y CA 1.083 59.105 58.100 -0.129 0.000 1.227 529 Y CB 0.020 38.441 38.460 -0.066 0.000 0.991 529 Y HN 0.281 nan 8.280 nan 0.000 0.545 530 R N 0.196 120.701 120.500 0.009 0.000 2.127 530 R HA -0.036 4.306 4.340 0.004 0.000 0.217 530 R C 2.388 178.576 176.300 -0.186 0.000 1.074 530 R CA 0.837 56.893 56.100 -0.075 0.000 0.991 530 R CB -0.389 29.904 30.300 -0.013 0.000 0.895 530 R HN 0.325 nan 8.270 nan 0.000 0.450 531 G N 0.063 108.708 108.800 -0.258 0.000 2.432 531 G HA2 -0.158 3.805 3.960 0.004 0.000 0.219 531 G HA3 -0.158 3.805 3.960 0.004 0.000 0.219 531 G C 1.156 175.926 174.900 -0.217 0.000 1.135 531 G CA 0.589 45.523 45.100 -0.277 0.000 0.767 531 G HN 0.200 nan 8.290 nan 0.000 0.550 532 V N 0.499 120.259 119.914 -0.258 0.000 3.383 532 V HA 0.012 4.135 4.120 0.004 0.000 0.272 532 V C 2.208 178.068 176.094 -0.390 0.000 1.181 532 V CA 0.830 62.914 62.300 -0.359 0.000 1.171 532 V CB -0.008 31.474 31.823 -0.568 0.000 0.800 532 V HN 0.318 nan 8.190 nan 0.000 0.515 533 L N -0.025 121.043 121.223 -0.259 0.000 2.513 533 L HA 0.301 4.643 4.340 0.004 0.000 0.222 533 L C 1.277 178.100 176.870 -0.079 0.000 1.096 533 L CA 1.368 56.117 54.840 -0.152 0.000 0.857 533 L CB 0.046 42.036 42.059 -0.115 0.000 1.026 533 L HN 0.332 nan 8.230 nan 0.000 0.469 534 N N -1.618 117.025 118.700 -0.095 0.000 2.193 534 N HA 0.153 4.895 4.740 0.004 0.000 0.236 534 N C -0.570 174.904 175.510 -0.060 0.000 1.347 534 N CA 0.139 53.153 53.050 -0.061 0.000 0.812 534 N CB 1.014 39.465 38.487 -0.060 0.000 1.297 534 N HN 0.074 nan 8.380 nan 0.000 0.499 535 S N 1.282 116.936 115.700 -0.077 0.000 2.566 535 S HA 0.461 4.933 4.470 0.004 0.000 0.273 535 S C -2.911 171.653 174.600 -0.060 0.000 1.157 535 S CA -0.857 57.306 58.200 -0.061 0.000 0.938 535 S CB 1.574 64.730 63.200 -0.073 0.000 1.087 535 S HN -0.208 nan 8.310 nan 0.000 0.474 536 P HA -0.008 nan 4.420 nan 0.000 0.261 536 P C 0.936 178.216 177.300 -0.033 0.000 1.173 536 P CA -0.029 63.057 63.100 -0.022 0.000 0.760 536 P CB 0.440 32.136 31.700 -0.007 0.000 0.783 537 V N 3.437 123.330 119.914 -0.035 0.000 2.660 537 V HA -0.254 3.869 4.120 0.004 0.000 0.257 537 V C 2.218 178.304 176.094 -0.013 0.000 1.088 537 V CA 1.702 63.977 62.300 -0.041 0.000 1.106 537 V CB -0.822 30.983 31.823 -0.029 0.000 0.686 537 V HN 0.666 nan 8.190 nan 0.000 0.481 538 K N 0.339 120.738 120.400 -0.002 0.000 2.186 538 K HA 0.050 4.372 4.320 0.004 0.000 0.202 538 K C 2.163 178.770 176.600 0.012 0.000 1.052 538 K CA 1.344 57.636 56.287 0.009 0.000 0.965 538 K CB -0.128 32.378 32.500 0.010 0.000 0.746 538 K HN 0.441 nan 8.250 nan 0.000 0.457 539 A N 0.656 123.479 122.820 0.006 0.000 1.897 539 A HA -0.058 4.264 4.320 0.004 0.000 0.215 539 A C 2.314 179.908 177.584 0.018 0.000 1.181 539 A CA 1.209 53.253 52.037 0.012 0.000 0.620 539 A CB -0.510 18.492 19.000 0.005 0.000 0.821 539 A HN 0.078 nan 8.150 nan 0.000 0.443 540 V N 0.234 120.149 119.914 0.001 0.000 2.343 540 V HA -0.275 3.847 4.120 0.004 0.000 0.247 540 V C 2.633 178.749 176.094 0.037 0.000 1.051 540 V CA 2.420 64.722 62.300 0.004 0.000 1.036 540 V CB -0.859 30.942 31.823 -0.037 0.000 0.654 540 V HN 0.668 nan 8.190 nan 0.000 0.451 541 R N 1.042 121.561 120.500 0.032 0.000 2.103 541 R HA -0.196 4.146 4.340 0.004 0.000 0.234 541 R C 2.014 178.352 176.300 0.063 0.000 1.132 541 R CA 2.466 58.597 56.100 0.051 0.000 0.925 541 R CB -0.900 29.427 30.300 0.044 0.000 0.842 541 R HN 0.557 nan 8.270 nan 0.000 0.430 542 D N -0.808 119.623 120.400 0.051 0.000 2.178 542 D HA -0.120 4.522 4.640 0.004 0.000 0.201 542 D C 1.716 178.052 176.300 0.059 0.000 0.980 542 D CA 1.850 55.881 54.000 0.051 0.000 0.842 542 D CB -0.306 40.516 40.800 0.037 0.000 0.948 542 D HN 0.379 nan 8.370 nan 0.000 0.472 543 T N 1.648 116.243 114.554 0.069 0.000 2.684 543 T HA -0.121 4.231 4.350 0.004 0.000 0.267 543 T C 2.203 176.960 174.700 0.095 0.000 1.036 543 T CA 0.508 62.662 62.100 0.090 0.000 1.148 543 T CB -0.270 68.672 68.868 0.124 0.000 0.863 543 T HN 0.133 nan 8.240 nan 0.000 0.436 544 L N 0.214 121.495 121.223 0.097 0.000 2.005 544 L HA -0.029 4.314 4.340 0.004 0.000 0.207 544 L C 2.492 179.407 176.870 0.075 0.000 1.072 544 L CA 1.384 56.273 54.840 0.082 0.000 0.744 544 L CB -0.401 41.703 42.059 0.075 0.000 0.895 544 L HN 0.280 nan 8.230 nan 0.000 0.433 545 I N -0.651 119.971 120.570 0.087 0.000 2.194 545 I HA -0.333 3.840 4.170 0.004 0.000 0.246 545 I C 2.383 178.535 176.117 0.058 0.000 1.093 545 I CA 1.708 63.062 61.300 0.089 0.000 1.355 545 I CB -0.654 37.399 38.000 0.089 0.000 1.046 545 I HN 0.314 nan 8.210 nan 0.000 0.413 546 T N -0.124 114.461 114.554 0.052 0.000 2.788 546 T HA -0.265 4.087 4.350 0.004 0.000 0.268 546 T C 1.822 176.549 174.700 0.046 0.000 1.044 546 T CA 1.506 63.632 62.100 0.043 0.000 1.139 546 T CB -0.274 68.619 68.868 0.042 0.000 0.867 546 T HN 0.448 nan 8.240 nan 0.000 0.454 547 Q N -0.000 119.829 119.800 0.048 0.000 2.020 547 Q HA -0.147 4.195 4.340 0.004 0.000 0.202 547 Q C 2.468 178.499 176.000 0.052 0.000 0.982 547 Q CA 1.742 57.571 55.803 0.042 0.000 0.838 547 Q CB -0.458 28.296 28.738 0.027 0.000 0.899 547 Q HN 0.494 nan 8.270 nan 0.000 0.423 548 C N 0.308 119.642 119.300 0.057 0.000 2.413 548 C HA -0.110 4.353 4.460 0.004 0.000 0.276 548 C C 2.868 177.899 174.990 0.068 0.000 1.248 548 C CA 0.894 59.953 59.018 0.069 0.000 1.742 548 C CB -1.307 26.485 27.740 0.088 0.000 2.017 548 C HN 0.720 nan 8.230 nan 0.000 0.481 549 A N -0.804 122.048 122.820 0.053 0.000 1.898 549 A HA -0.230 4.093 4.320 0.004 0.000 0.216 549 A C 2.139 179.756 177.584 0.054 0.000 1.181 549 A CA 1.560 53.622 52.037 0.041 0.000 0.620 549 A CB -0.656 18.357 19.000 0.022 0.000 0.819 549 A HN 0.720 nan 8.150 nan 0.000 0.442 550 Q N -0.249 119.586 119.800 0.059 0.000 2.079 550 Q HA -0.134 4.208 4.340 0.004 0.000 0.200 550 Q C 2.090 178.154 176.000 0.106 0.000 0.974 550 Q CA 1.683 57.527 55.803 0.068 0.000 0.840 550 Q CB -0.338 28.434 28.738 0.057 0.000 0.898 550 Q HN 0.893 nan 8.270 nan 0.000 0.430 551 I N -2.216 118.430 120.570 0.126 0.000 2.361 551 I HA -0.232 3.940 4.170 0.004 0.000 0.251 551 I C 1.851 178.126 176.117 0.262 0.000 1.133 551 I CA 1.153 62.586 61.300 0.221 0.000 1.413 551 I CB -0.385 37.721 38.000 0.177 0.000 1.073 551 I HN 0.113 nan 8.210 nan 0.000 0.424 552 L N 1.262 122.574 121.223 0.148 0.000 2.179 552 L HA 0.015 4.358 4.340 0.004 0.000 0.208 552 L C 3.062 179.982 176.870 0.084 0.000 1.096 552 L CA 1.021 55.924 54.840 0.104 0.000 0.779 552 L CB -0.593 41.509 42.059 0.071 0.000 0.922 552 L HN 0.325 nan 8.230 nan 0.000 0.443 553 A N -0.853 122.010 122.820 0.072 0.000 1.898 553 A HA -0.267 4.055 4.320 0.004 0.000 0.216 553 A C 2.442 180.041 177.584 0.025 0.000 1.181 553 A CA 1.706 53.768 52.037 0.042 0.000 0.620 553 A CB -1.269 17.755 19.000 0.040 0.000 0.819 553 A HN 0.545 nan 8.150 nan 0.000 0.442 554 C N -1.620 117.721 119.300 0.069 0.000 2.419 554 C HA -0.097 4.365 4.460 0.004 0.000 0.281 554 C C 2.424 177.399 174.990 -0.025 0.000 1.336 554 C CA 1.145 60.209 59.018 0.077 0.000 1.770 554 C CB -1.538 26.322 27.740 0.199 0.000 1.929 554 C HN 0.684 nan 8.230 nan 0.000 0.509 555 Y N 1.639 121.734 120.300 -0.342 0.000 2.220 555 Y HA -0.028 4.524 4.550 0.004 0.000 0.291 555 Y C 2.639 178.353 175.900 -0.310 0.000 1.129 555 Y CA 2.189 59.891 58.100 -0.663 0.000 1.161 555 Y CB -0.715 37.212 38.460 -0.889 0.000 0.997 555 Y HN 0.303 nan 8.280 nan 0.000 0.522 556 R N 1.077 121.399 120.500 -0.297 0.000 2.073 556 R HA -0.125 4.217 4.340 0.004 0.000 0.229 556 R C 2.307 178.474 176.300 -0.221 0.000 1.120 556 R CA 1.829 57.751 56.100 -0.296 0.000 0.967 556 R CB -0.268 29.962 30.300 -0.116 0.000 0.862 556 R HN 0.480 nan 8.270 nan 0.000 0.436 557 K N -0.963 119.356 120.400 -0.135 0.000 2.362 557 K HA -0.041 4.281 4.320 0.004 0.000 0.200 557 K C 0.664 177.205 176.600 -0.099 0.000 1.046 557 K CA 1.479 57.712 56.287 -0.090 0.000 0.952 557 K CB 0.141 32.615 32.500 -0.044 0.000 0.753 557 K HN 0.176 nan 8.250 nan 0.000 0.466 558 N N -0.582 118.035 118.700 -0.138 0.000 2.145 558 N HA 0.139 4.882 4.740 0.004 0.000 0.219 558 N C -0.621 174.790 175.510 -0.166 0.000 1.266 558 N CA -0.072 52.913 53.050 -0.108 0.000 0.902 558 N CB 0.905 39.372 38.487 -0.034 0.000 1.078 558 N HN 0.136 nan 8.380 nan 0.000 0.513 567 Q N 1.416 121.280 119.800 0.106 0.000 2.332 567 Q HA 0.369 4.711 4.340 0.004 0.000 0.263 567 Q C 0.260 176.302 176.000 0.069 0.000 0.979 567 Q CA -0.282 55.577 55.803 0.093 0.000 0.885 567 Q CB 1.412 30.162 28.738 0.021 0.000 1.218 567 Q HN 0.955 nan 8.270 nan 0.000 0.405 568 L N 1.956 123.105 121.223 -0.124 0.000 2.361 568 L HA 0.585 4.928 4.340 0.004 0.000 0.278 568 L C -0.036 176.706 176.870 -0.213 0.000 1.113 568 L CA -0.636 53.894 54.840 -0.517 0.000 0.849 568 L CB -0.139 41.481 42.059 -0.731 0.000 1.155 568 L HN 0.710 nan 8.230 nan 0.000 0.452 569 I N 1.555 122.041 120.570 -0.142 0.000 3.145 569 I HA 0.809 4.981 4.170 0.004 0.000 0.313 569 I C -1.143 174.997 176.117 0.039 0.000 1.122 569 I CA -1.115 60.172 61.300 -0.022 0.000 0.987 569 I CB 2.443 40.453 38.000 0.018 0.000 1.236 569 I HN 0.667 nan 8.210 nan 0.000 0.453 570 L N 1.402 122.687 121.223 0.103 0.000 2.622 570 L HA 0.551 4.894 4.340 0.004 0.000 0.258 570 L C -2.769 174.048 176.870 -0.090 0.000 0.996 570 L CA -1.624 53.230 54.840 0.024 0.000 0.858 570 L CB 2.819 44.857 42.059 -0.034 0.000 1.449 570 L HN 0.465 nan 8.230 nan 0.000 0.411 571 P HA 0.180 nan 4.420 nan 0.000 0.280 571 P C -0.222 176.945 177.300 -0.221 0.000 1.244 571 P CA -0.252 62.434 63.100 -0.689 0.000 0.784 571 P CB 1.414 32.542 31.700 -0.952 0.000 0.913 572 E N 1.579 121.718 120.200 -0.102 0.000 2.169 572 E HA -0.238 4.114 4.350 0.004 0.000 0.202 572 E C 1.515 178.086 176.600 -0.048 0.000 1.016 572 E CA 2.348 58.720 56.400 -0.046 0.000 0.817 572 E CB -0.745 28.947 29.700 -0.013 0.000 0.736 572 E HN 0.637 nan 8.360 nan 0.000 0.462 573 C N -1.230 118.038 119.300 -0.054 0.000 2.578 573 C HA 0.375 4.837 4.460 0.004 0.000 0.285 573 C C 1.449 176.421 174.990 -0.029 0.000 1.297 573 C CA -0.475 58.522 59.018 -0.035 0.000 1.690 573 C CB -0.725 27.001 27.740 -0.023 0.000 1.773 573 C HN 0.243 nan 8.230 nan 0.000 0.594 574 M N -0.257 119.314 119.600 -0.049 0.000 2.410 574 M HA 0.192 4.674 4.480 0.004 0.000 0.376 574 M C 1.472 177.751 176.300 -0.035 0.000 1.051 574 M CA -0.029 55.253 55.300 -0.030 0.000 0.949 574 M CB 0.093 32.670 32.600 -0.040 0.000 1.577 574 M HN 0.229 nan 8.290 nan 0.000 0.560 575 K N 0.430 120.804 120.400 -0.044 0.000 2.228 575 K HA -0.139 4.183 4.320 0.004 0.000 0.205 575 K C 0.804 177.366 176.600 -0.065 0.000 1.045 575 K CA 1.098 57.359 56.287 -0.043 0.000 0.931 575 K CB 0.001 32.478 32.500 -0.038 0.000 0.727 575 K HN 0.224 nan 8.250 nan 0.000 0.458 576 L N 0.181 121.347 121.223 -0.095 0.000 2.667 576 L HA 0.064 4.406 4.340 0.004 0.000 0.232 576 L C 1.371 178.101 176.870 -0.234 0.000 1.138 576 L CA 0.304 54.981 54.840 -0.271 0.000 0.921 576 L CB -0.104 41.738 42.059 -0.361 0.000 1.180 576 L HN 0.062 nan 8.230 nan 0.000 0.487 577 L N 1.347 122.548 121.223 -0.037 0.000 1.989 577 L HA -0.075 4.267 4.340 0.004 0.000 0.211 577 L C -0.488 176.397 176.870 0.026 0.000 1.071 577 L CA 2.309 57.172 54.840 0.039 0.000 0.749 577 L CB -1.443 40.646 42.059 0.050 0.000 0.890 577 L HN 0.155 nan 8.230 nan 0.000 0.431 578 P HA -0.146 nan 4.420 nan 0.000 0.215 578 P C 2.019 179.331 177.300 0.020 0.000 1.157 578 P CA 2.004 65.234 63.100 0.217 0.000 0.874 578 P CB -0.118 31.759 31.700 0.295 0.000 0.790 579 V N -1.772 117.976 119.914 -0.276 0.000 2.282 579 V HA -0.287 3.835 4.120 0.004 0.000 0.249 579 V C 2.210 178.017 176.094 -0.478 0.000 1.057 579 V CA 1.989 63.876 62.300 -0.689 0.000 1.032 579 V CB -1.842 29.262 31.823 -1.200 0.000 0.645 579 V HN 0.033 nan 8.190 nan 0.000 0.447 580 Y N -0.359 119.799 120.300 -0.238 0.000 2.263 580 Y HA -0.028 4.525 4.550 0.004 0.000 0.292 580 Y C 2.180 177.946 175.900 -0.222 0.000 1.130 580 Y CA 0.643 58.634 58.100 -0.182 0.000 1.179 580 Y CB -0.906 37.459 38.460 -0.160 0.000 0.998 580 Y HN 0.174 nan 8.280 nan 0.000 0.532 581 L N 0.888 122.082 121.223 -0.049 0.000 2.042 581 L HA -0.258 4.085 4.340 0.004 0.000 0.210 581 L C 1.984 178.699 176.870 -0.258 0.000 1.076 581 L CA 1.981 56.771 54.840 -0.083 0.000 0.749 581 L CB -1.132 40.983 42.059 0.094 0.000 0.893 581 L HN 0.343 nan 8.230 nan 0.000 0.432 582 N N -1.530 116.827 118.700 -0.572 0.000 2.166 582 N HA -0.220 4.523 4.740 0.004 0.000 0.186 582 N C 1.815 177.104 175.510 -0.368 0.000 1.019 582 N CA 1.568 54.084 53.050 -0.889 0.000 0.856 582 N CB -0.082 37.774 38.487 -1.052 0.000 0.993 582 N HN 0.528 nan 8.380 nan 0.000 0.426 583 C N -0.244 118.944 119.300 -0.187 0.000 2.440 583 C HA 0.002 4.465 4.460 0.004 0.000 0.278 583 C C 2.715 177.782 174.990 0.129 0.000 1.295 583 C CA 0.006 59.025 59.018 0.003 0.000 1.738 583 C CB -0.924 26.929 27.740 0.189 0.000 1.987 583 C HN 0.315 nan 8.230 nan 0.000 0.492 584 V N 1.335 121.220 119.914 -0.048 0.000 2.237 584 V HA -0.233 3.889 4.120 0.004 0.000 0.245 584 V C 2.397 178.552 176.094 0.101 0.000 1.046 584 V CA 2.016 64.248 62.300 -0.113 0.000 1.007 584 V CB -0.755 30.843 31.823 -0.375 0.000 0.638 584 V HN 0.525 nan 8.190 nan 0.000 0.445 585 L N -0.360 120.866 121.223 0.006 0.000 2.042 585 L HA -0.203 4.139 4.340 0.004 0.000 0.210 585 L C 2.327 179.220 176.870 0.039 0.000 1.076 585 L CA 1.652 56.514 54.840 0.037 0.000 0.749 585 L CB -0.654 41.415 42.059 0.016 0.000 0.893 585 L HN 0.272 nan 8.230 nan 0.000 0.432 586 K N 0.403 120.793 120.400 -0.018 0.000 2.589 586 K HA 0.015 4.338 4.320 0.004 0.000 0.192 586 K C 0.891 177.486 176.600 -0.007 0.000 1.029 586 K CA 0.074 56.324 56.287 -0.062 0.000 1.031 586 K CB -0.126 32.266 32.500 -0.180 0.000 0.821 586 K HN 0.403 nan 8.250 nan 0.000 0.502 587 S N 0.362 116.148 115.700 0.143 0.000 2.614 587 S HA 0.071 4.543 4.470 0.004 0.000 0.265 587 S C 0.765 175.477 174.600 0.186 0.000 1.303 587 S CA -0.812 57.528 58.200 0.233 0.000 1.000 587 S CB 1.196 64.686 63.200 0.485 0.000 0.935 587 S HN 0.042 nan 8.310 nan 0.000 0.551 588 D N 0.839 121.335 120.400 0.160 0.000 2.158 588 D HA -0.117 4.525 4.640 0.004 0.000 0.197 588 D C 1.953 178.279 176.300 0.044 0.000 0.995 588 D CA 1.158 55.212 54.000 0.089 0.000 0.846 588 D CB -0.363 40.461 40.800 0.041 0.000 0.941 588 D HN 0.388 nan 8.370 nan 0.000 0.456 589 V N 0.987 120.874 119.914 -0.045 0.000 2.427 589 V HA -0.148 3.974 4.120 0.004 0.000 0.248 589 V C 2.245 178.241 176.094 -0.162 0.000 1.051 589 V CA 1.008 63.171 62.300 -0.228 0.000 1.048 589 V CB -0.214 31.084 31.823 -0.875 0.000 0.666 589 V HN 0.199 nan 8.190 nan 0.000 0.456 590 L N -0.312 120.880 121.223 -0.051 0.000 2.700 590 L HA 0.341 4.683 4.340 0.004 0.000 0.234 590 L C 0.703 177.591 176.870 0.030 0.000 1.156 590 L CA 0.357 55.199 54.840 0.003 0.000 0.946 590 L CB 0.189 42.296 42.059 0.079 0.000 1.216 590 L HN 0.407 nan 8.230 nan 0.000 0.493 591 Q N 1.475 121.298 119.800 0.039 0.000 3.775 591 Q HA 0.125 4.467 4.340 0.004 0.000 0.163 591 Q C -2.676 173.359 176.000 0.057 0.000 0.819 591 Q CA -0.877 54.952 55.803 0.043 0.000 0.893 591 Q CB 1.228 29.987 28.738 0.036 0.000 1.515 591 Q HN -0.110 nan 8.270 nan 0.000 0.482 592 P HA 0.051 nan 4.420 nan 0.000 0.260 592 P C 0.543 177.876 177.300 0.055 0.000 1.207 592 P CA 0.634 63.770 63.100 0.060 0.000 0.780 592 P CB 0.740 32.475 31.700 0.058 0.000 0.789 593 G N 3.125 111.965 108.800 0.067 0.000 2.590 593 G HA2 0.241 4.203 3.960 0.004 0.000 0.276 593 G HA3 0.241 4.203 3.960 0.004 0.000 0.276 593 G C 1.161 176.091 174.900 0.051 0.000 1.337 593 G CA 0.101 45.243 45.100 0.069 0.000 1.030 593 G HN 0.478 nan 8.290 nan 0.000 0.534 594 A N -0.714 122.137 122.820 0.051 0.000 1.825 594 A HA 0.042 4.365 4.320 0.004 0.000 0.214 594 A C 1.697 179.305 177.584 0.040 0.000 1.206 594 A CA 1.463 53.525 52.037 0.041 0.000 0.609 594 A CB -0.467 18.559 19.000 0.043 0.000 0.851 594 A HN 0.653 nan 8.150 nan 0.000 0.445 595 E N 0.334 120.564 120.200 0.050 0.000 2.424 595 E HA 0.242 4.595 4.350 0.004 0.000 0.237 595 E C -1.169 175.459 176.600 0.047 0.000 1.381 595 E CA -0.352 56.078 56.400 0.049 0.000 1.587 595 E CB -0.042 29.695 29.700 0.062 0.000 1.398 595 E HN 0.221 nan 8.360 nan 0.000 0.439 596 V N 2.113 122.050 119.914 0.038 0.000 2.328 596 V HA 0.086 4.208 4.120 0.004 0.000 0.278 596 V C 0.750 176.860 176.094 0.027 0.000 1.021 596 V CA -0.760 61.561 62.300 0.035 0.000 0.838 596 V CB 1.089 32.933 31.823 0.035 0.000 0.999 596 V HN 0.338 nan 8.190 nan 0.000 0.447 597 T N 1.366 115.940 114.554 0.033 0.000 2.766 597 T HA 0.122 4.474 4.350 0.004 0.000 0.295 597 T C 1.309 176.020 174.700 0.018 0.000 1.024 597 T CA 0.142 62.258 62.100 0.026 0.000 1.018 597 T CB 1.012 69.909 68.868 0.049 0.000 1.002 597 T HN 0.558 nan 8.240 nan 0.000 0.532 598 T N 0.499 115.058 114.554 0.009 0.000 2.770 598 T HA -0.075 4.278 4.350 0.004 0.000 0.263 598 T C 1.625 176.328 174.700 0.006 0.000 1.039 598 T CA 1.109 63.193 62.100 -0.028 0.000 1.142 598 T CB -0.432 68.419 68.868 -0.029 0.000 0.868 598 T HN 0.654 nan 8.240 nan 0.000 0.435 599 D N 1.375 121.833 120.400 0.097 0.000 2.149 599 D HA -0.122 4.520 4.640 0.004 0.000 0.198 599 D C 1.763 178.092 176.300 0.049 0.000 0.990 599 D CA 1.162 55.178 54.000 0.026 0.000 0.839 599 D CB -0.342 40.456 40.800 -0.004 0.000 0.948 599 D HN 0.306 nan 8.370 nan 0.000 0.460 600 D N 0.648 121.088 120.400 0.067 0.000 2.120 600 D HA -0.133 4.509 4.640 0.004 0.000 0.191 600 D C 2.189 178.571 176.300 0.135 0.000 0.994 600 D CA 0.994 55.063 54.000 0.114 0.000 0.838 600 D CB -0.145 40.708 40.800 0.089 0.000 0.976 600 D HN 0.068 nan 8.370 nan 0.000 0.447 601 R N 0.133 120.690 120.500 0.095 0.000 2.119 601 R HA -0.191 4.151 4.340 0.004 0.000 0.246 601 R C 2.232 178.639 176.300 0.179 0.000 1.146 601 R CA 1.417 57.599 56.100 0.136 0.000 0.962 601 R CB -0.400 30.017 30.300 0.195 0.000 0.863 601 R HN 0.170 nan 8.270 nan 0.000 0.442 602 A N 0.210 123.096 122.820 0.111 0.000 1.877 602 A HA -0.224 4.098 4.320 0.004 0.000 0.216 602 A C 2.000 179.654 177.584 0.117 0.000 1.186 602 A CA 1.353 53.458 52.037 0.114 0.000 0.620 602 A CB -0.746 18.240 19.000 -0.024 0.000 0.822 602 A HN 0.490 nan 8.150 nan 0.000 0.443 603 Y N 0.650 120.938 120.300 -0.020 0.000 2.242 603 Y HA -0.122 4.430 4.550 0.003 0.000 0.291 603 Y C 2.228 178.109 175.900 -0.032 0.000 1.137 603 Y CA 1.720 59.793 58.100 -0.046 0.000 1.181 603 Y CB -0.244 38.184 38.460 -0.054 0.000 0.989 603 Y HN 0.061 nan 8.280 nan 0.000 0.527 604 V N 0.983 120.872 119.914 -0.042 0.000 2.379 604 V HA -0.223 3.899 4.120 0.004 0.000 0.245 604 V C 2.483 178.527 176.094 -0.083 0.000 1.044 604 V CA 2.079 64.305 62.300 -0.123 0.000 1.036 604 V CB -0.755 31.115 31.823 0.078 0.000 0.664 604 V HN 0.328 nan 8.190 nan 0.000 0.453 605 R N 0.186 120.690 120.500 0.008 0.000 2.152 605 R HA -0.219 4.123 4.340 0.004 0.000 0.232 605 R C 2.214 178.535 176.300 0.036 0.000 1.117 605 R CA 1.556 57.705 56.100 0.083 0.000 0.981 605 R CB -0.087 30.217 30.300 0.007 0.000 0.870 605 R HN 0.473 nan 8.270 nan 0.000 0.451 606 Q N 0.114 119.871 119.800 -0.072 0.000 2.378 606 Q HA 0.040 4.382 4.340 0.004 0.000 0.205 606 Q C 1.548 177.411 176.000 -0.228 0.000 0.954 606 Q CA 0.931 56.654 55.803 -0.132 0.000 0.901 606 Q CB 0.238 28.896 28.738 -0.133 0.000 0.981 606 Q HN 0.422 nan 8.270 nan 0.000 0.483 607 L N -1.965 119.073 121.223 -0.308 0.000 2.265 607 L HA 0.024 4.366 4.340 0.004 0.000 0.195 607 L C 2.013 178.708 176.870 -0.293 0.000 1.083 607 L CA 0.333 54.957 54.840 -0.361 0.000 0.798 607 L CB -0.517 41.242 42.059 -0.499 0.000 0.989 607 L HN -0.037 nan 8.230 nan 0.000 0.472 608 V N -0.057 119.665 119.914 -0.320 0.000 2.317 608 V HA -0.368 3.755 4.120 0.004 0.000 0.251 608 V C 2.603 178.588 176.094 -0.181 0.000 1.065 608 V CA 2.512 64.622 62.300 -0.317 0.000 1.049 608 V CB -0.836 30.810 31.823 -0.296 0.000 0.651 608 V HN 0.577 nan 8.190 nan 0.000 0.450 609 T N -2.346 112.149 114.554 -0.098 0.000 3.118 609 T HA -0.127 4.225 4.350 0.004 0.000 0.269 609 T C 1.509 176.178 174.700 -0.052 0.000 1.166 609 T CA 1.610 63.680 62.100 -0.049 0.000 1.073 609 T CB -0.200 68.655 68.868 -0.022 0.000 0.884 609 T HN 0.422 nan 8.240 nan 0.000 0.550 610 S N -0.213 115.434 115.700 -0.089 0.000 2.893 610 S HA 0.402 4.874 4.470 0.004 0.000 0.258 610 S C 0.190 174.753 174.600 -0.063 0.000 1.034 610 S CA -0.735 57.428 58.200 -0.062 0.000 1.167 610 S CB 0.032 63.177 63.200 -0.092 0.000 1.137 610 S HN 0.703 nan 8.310 nan 0.000 0.650 611 M N 0.727 120.272 119.600 -0.090 0.000 2.342 611 M HA 0.545 5.028 4.480 0.004 0.000 0.332 611 M C 0.028 176.306 176.300 -0.037 0.000 1.166 611 M CA -0.604 54.649 55.300 -0.078 0.000 1.086 611 M CB 0.315 32.837 32.600 -0.129 0.000 1.541 611 M HN -0.083 nan 8.290 nan 0.000 0.462 612 D N 1.103 121.490 120.400 -0.022 0.000 2.370 612 D HA -0.011 4.632 4.640 0.004 0.000 0.235 612 D C 0.848 177.146 176.300 -0.003 0.000 1.228 612 D CA -0.025 53.973 54.000 -0.004 0.000 0.884 612 D CB 1.212 42.009 40.800 -0.004 0.000 1.201 612 D HN 0.532 nan 8.370 nan 0.000 0.456 613 V N 2.261 122.177 119.914 0.004 0.000 2.515 613 V HA -0.193 3.929 4.120 0.004 0.000 0.250 613 V C 2.469 178.562 176.094 -0.001 0.000 1.058 613 V CA 1.940 64.239 62.300 -0.001 0.000 1.064 613 V CB -0.565 31.259 31.823 0.003 0.000 0.675 613 V HN 0.630 nan 8.190 nan 0.000 0.461 614 T N -0.086 114.471 114.554 0.005 0.000 2.737 614 T HA -0.196 4.157 4.350 0.004 0.000 0.265 614 T C 1.779 176.494 174.700 0.024 0.000 1.038 614 T CA 1.669 63.776 62.100 0.011 0.000 1.144 614 T CB -0.237 68.636 68.868 0.007 0.000 0.866 614 T HN 0.597 nan 8.240 nan 0.000 0.434 615 E N 0.331 120.540 120.200 0.016 0.000 2.204 615 E HA -0.093 4.260 4.350 0.004 0.000 0.195 615 E C 2.326 178.950 176.600 0.040 0.000 0.990 615 E CA 1.055 57.466 56.400 0.017 0.000 0.821 615 E CB -0.157 29.528 29.700 -0.024 0.000 0.750 615 E HN 0.298 nan 8.360 nan 0.000 0.477 616 T N 0.470 115.055 114.554 0.052 0.000 2.851 616 T HA -0.112 4.241 4.350 0.004 0.000 0.262 616 T C 1.695 176.532 174.700 0.229 0.000 1.043 616 T CA 1.273 63.472 62.100 0.164 0.000 1.140 616 T CB -0.208 68.740 68.868 0.134 0.000 0.872 616 T HN 0.146 nan 8.240 nan 0.000 0.446 617 N N 0.747 119.489 118.700 0.070 0.000 2.036 617 N HA -0.117 4.626 4.740 0.004 0.000 0.195 617 N C 1.820 177.383 175.510 0.088 0.000 1.037 617 N CA 1.821 54.858 53.050 -0.022 0.000 0.855 617 N CB -0.610 37.841 38.487 -0.060 0.000 1.033 617 N HN 0.195 nan 8.380 nan 0.000 0.423 618 V N -0.558 119.424 119.914 0.114 0.000 2.453 618 V HA -0.080 4.042 4.120 0.004 0.000 0.247 618 V C 1.866 178.042 176.094 0.137 0.000 1.048 618 V CA 1.562 63.942 62.300 0.135 0.000 1.049 618 V CB -0.845 31.045 31.823 0.112 0.000 0.672 618 V HN 0.411 nan 8.190 nan 0.000 0.457 619 F N 1.057 120.972 119.950 -0.059 0.000 2.046 619 F HA -0.192 4.337 4.527 0.004 0.000 0.297 619 F C 1.897 177.528 175.800 -0.281 0.000 1.123 619 F CA 2.420 60.285 58.000 -0.224 0.000 1.199 619 F CB -0.672 38.055 39.000 -0.454 0.000 0.972 619 F HN 0.259 nan 8.300 nan 0.000 0.474 620 F N -2.276 117.711 119.950 0.061 0.000 2.365 620 F HA -0.094 4.435 4.527 0.003 0.000 0.300 620 F C 0.442 176.269 175.800 0.046 0.000 1.090 620 F CA 0.865 58.844 58.000 -0.034 0.000 1.408 620 F CB -0.437 38.608 39.000 0.075 0.000 1.060 620 F HN -0.032 nan 8.300 nan 0.000 0.534 621 Y N 2.293 122.654 120.300 0.102 0.000 2.628 621 Y HA 0.344 4.896 4.550 0.004 0.000 0.354 621 Y C -2.482 173.443 175.900 0.041 0.000 1.061 621 Y CA -3.624 54.530 58.100 0.090 0.000 1.251 621 Y CB 0.289 38.906 38.460 0.262 0.000 1.098 621 Y HN -0.234 nan 8.280 nan 0.000 0.626 622 P HA -0.046 nan 4.420 nan 0.000 0.269 622 P C -0.618 176.628 177.300 -0.089 0.000 1.211 622 P CA -0.078 62.974 63.100 -0.080 0.000 0.781 622 P CB 0.996 32.649 31.700 -0.078 0.000 0.877 623 R N 2.131 122.636 120.500 0.008 0.000 2.196 623 R HA 0.346 4.689 4.340 0.004 0.000 0.340 623 R C -0.980 175.335 176.300 0.025 0.000 1.043 623 R CA -0.683 55.442 56.100 0.042 0.000 0.883 623 R CB -0.176 30.170 30.300 0.076 0.000 1.078 623 R HN 0.353 nan 8.270 nan 0.000 0.462 624 L N 7.609 128.839 121.223 0.011 0.000 2.298 624 L HA 0.410 4.752 4.340 0.004 0.000 0.284 624 L C -1.402 175.548 176.870 0.134 0.000 1.013 624 L CA -0.727 54.141 54.840 0.046 0.000 0.824 624 L CB 1.491 43.514 42.059 -0.059 0.000 1.221 624 L HN 0.497 nan 8.230 nan 0.000 0.418 625 L N 4.608 125.949 121.223 0.198 0.000 2.422 625 L HA 0.801 5.143 4.340 0.004 0.000 0.264 625 L C -3.001 173.991 176.870 0.202 0.000 0.984 625 L CA -1.862 53.102 54.840 0.207 0.000 0.819 625 L CB 1.543 43.672 42.059 0.116 0.000 1.330 625 L HN 0.349 nan 8.230 nan 0.000 0.410 626 P HA 0.320 nan 4.420 nan 0.000 0.277 626 P C 0.025 177.217 177.300 -0.180 0.000 1.240 626 P CA -0.326 62.534 63.100 -0.400 0.000 0.798 626 P CB 1.921 33.233 31.700 -0.647 0.000 0.979 627 L N 0.737 121.849 121.223 -0.186 0.000 2.728 627 L HA 0.186 4.528 4.340 0.004 0.000 0.238 627 L C 1.258 178.076 176.870 -0.087 0.000 1.143 627 L CA 0.242 55.031 54.840 -0.085 0.000 0.937 627 L CB 0.046 42.082 42.059 -0.039 0.000 1.225 627 L HN 0.525 nan 8.230 nan 0.000 0.507 634 S N -0.057 115.646 115.700 0.005 0.000 2.121 634 S HA 0.060 4.532 4.470 0.004 0.000 0.153 634 S C 0.419 175.024 174.600 0.008 0.000 1.392 634 S CA 0.949 59.153 58.200 0.007 0.000 2.333 634 S CB -0.028 63.176 63.200 0.007 0.000 0.305 634 S HN 0.242 nan 8.310 nan 0.000 0.351 635 T N 2.495 117.055 114.554 0.010 0.000 2.761 635 T HA 0.224 4.576 4.350 0.004 0.000 0.262 635 T C 0.262 174.970 174.700 0.013 0.000 0.968 635 T CA 0.079 62.186 62.100 0.012 0.000 1.235 635 T CB -0.361 68.516 68.868 0.014 0.000 0.925 635 T HN 0.576 nan 8.240 nan 0.000 0.545 636 T N 1.939 116.501 114.554 0.012 0.000 2.579 636 T HA 0.346 4.698 4.350 0.004 0.000 0.214 636 T C 0.501 175.211 174.700 0.017 0.000 0.899 636 T CA -0.915 61.192 62.100 0.013 0.000 1.323 636 T CB -0.028 68.846 68.868 0.009 0.000 2.982 636 T HN 0.655 nan 8.240 nan 0.000 0.440 637 E N 1.581 121.791 120.200 0.017 0.000 2.252 637 E HA -0.120 4.233 4.350 0.004 0.000 0.199 637 E C -2.505 174.112 176.600 0.029 0.000 1.352 637 E CA -0.517 55.897 56.400 0.023 0.000 0.682 637 E CB -1.102 28.612 29.700 0.025 0.000 1.142 637 E HN 0.185 nan 8.360 nan 0.000 0.367 638 P HA -0.134 nan 4.420 nan 0.000 0.255 638 P C -2.431 174.897 177.300 0.046 0.000 1.114 638 P CA -0.071 63.046 63.100 0.027 0.000 0.765 638 P CB -0.052 31.656 31.700 0.014 0.000 0.694 639 P HA -0.034 nan 4.420 nan 0.000 0.253 639 P C 0.224 177.572 177.300 0.080 0.000 1.170 639 P CA 0.677 63.813 63.100 0.059 0.000 0.806 639 P CB 0.105 31.836 31.700 0.052 0.000 0.775 640 A N 3.711 126.585 122.820 0.089 0.000 2.532 640 A HA 0.259 4.582 4.320 0.004 0.000 0.248 640 A C 0.382 178.034 177.584 0.113 0.000 1.118 640 A CA 0.384 52.486 52.037 0.109 0.000 0.805 640 A CB -0.001 19.063 19.000 0.107 0.000 1.068 640 A HN 0.373 nan 8.150 nan 0.000 0.518 641 V N -0.966 119.015 119.914 0.112 0.000 3.156 641 V HA 0.514 4.636 4.120 0.004 0.000 0.310 641 V C 0.167 176.299 176.094 0.064 0.000 1.234 641 V CA -1.194 61.160 62.300 0.091 0.000 1.065 641 V CB 1.472 33.350 31.823 0.092 0.000 1.088 641 V HN 0.921 nan 8.190 nan 0.000 0.451 642 R N 1.267 121.801 120.500 0.057 0.000 2.638 642 R HA 0.339 4.681 4.340 0.004 0.000 0.268 642 R C 0.532 176.777 176.300 -0.092 0.000 1.006 642 R CA 0.735 56.871 56.100 0.061 0.000 1.088 642 R CB 0.170 30.506 30.300 0.059 0.000 0.950 642 R HN 0.969 nan 8.270 nan 0.000 0.419 643 A N 2.590 125.276 122.820 -0.223 0.000 3.077 643 A HA 0.222 4.544 4.320 0.004 0.000 0.255 643 A C -0.085 177.328 177.584 -0.285 0.000 1.728 643 A CA 0.156 51.964 52.037 -0.382 0.000 1.383 643 A CB -0.220 18.357 19.000 -0.706 0.000 1.097 643 A HN 0.461 nan 8.150 nan 0.000 0.634 644 S N -0.546 115.022 115.700 -0.220 0.000 2.599 644 S HA 0.366 4.838 4.470 0.004 0.000 0.294 644 S C 1.087 175.547 174.600 -0.233 0.000 1.094 644 S CA -0.040 58.050 58.200 -0.183 0.000 0.931 644 S CB 1.078 64.220 63.200 -0.097 0.000 1.093 644 S HN 0.679 nan 8.310 nan 0.000 0.488 645 E N 1.238 121.320 120.200 -0.197 0.000 2.274 645 E HA -0.131 4.221 4.350 0.004 0.000 0.194 645 E C 1.315 177.789 176.600 -0.209 0.000 0.996 645 E CA 0.882 57.151 56.400 -0.220 0.000 0.840 645 E CB -0.173 29.451 29.700 -0.126 0.000 0.772 645 E HN 0.785 nan 8.360 nan 0.000 0.491 646 E N 1.288 121.399 120.200 -0.148 0.000 2.153 646 E HA -0.147 4.205 4.350 0.004 0.000 0.194 646 E C 1.257 177.773 176.600 -0.140 0.000 0.988 646 E CA 0.605 56.941 56.400 -0.107 0.000 0.811 646 E CB 0.197 29.859 29.700 -0.063 0.000 0.746 646 E HN 0.086 nan 8.360 nan 0.000 0.466 647 R N 0.445 120.819 120.500 -0.210 0.000 2.423 647 R HA 0.202 4.544 4.340 0.004 0.000 0.248 647 R C -0.232 175.733 176.300 -0.558 0.000 1.019 647 R CA 0.118 56.068 56.100 -0.250 0.000 1.119 647 R CB -0.276 29.903 30.300 -0.201 0.000 1.176 647 R HN 0.198 nan 8.270 nan 0.000 0.526 648 L N 0.901 121.803 121.223 -0.536 0.000 2.301 648 L HA 0.271 4.613 4.340 0.004 0.000 0.278 648 L C 0.224 176.989 176.870 -0.174 0.000 1.022 648 L CA -0.490 53.889 54.840 -0.768 0.000 0.854 648 L CB 1.753 43.169 42.059 -1.071 0.000 1.226 648 L HN -0.056 nan 8.230 nan 0.000 0.429 649 S N 1.872 117.725 115.700 0.255 0.000 2.545 649 S HA 0.223 4.695 4.470 0.004 0.000 0.275 649 S C 1.145 176.043 174.600 0.496 0.000 1.299 649 S CA -0.636 57.777 58.200 0.354 0.000 1.048 649 S CB 0.764 64.171 63.200 0.345 0.000 0.938 649 S HN 0.596 nan 8.310 nan 0.000 0.496 650 N N 4.046 122.957 118.700 0.352 0.000 2.058 650 N HA -0.090 4.652 4.740 0.004 0.000 0.191 650 N C 1.583 177.204 175.510 0.184 0.000 1.037 650 N CA 1.424 54.648 53.050 0.291 0.000 0.848 650 N CB -0.729 37.861 38.487 0.172 0.000 1.021 650 N HN 0.771 nan 8.380 nan 0.000 0.422 651 G N 0.511 109.396 108.800 0.142 0.000 3.155 651 G HA2 -0.016 3.947 3.960 0.004 0.000 0.213 651 G HA3 -0.016 3.947 3.960 0.004 0.000 0.213 651 G C -0.202 174.749 174.900 0.085 0.000 1.196 651 G CA 0.160 45.310 45.100 0.084 0.000 0.846 651 G HN 0.217 nan 8.290 nan 0.000 0.516 652 D N -0.619 119.878 120.400 0.160 0.000 2.581 652 D HA 0.448 5.090 4.640 0.004 0.000 0.232 652 D C -0.694 175.724 176.300 0.197 0.000 1.143 652 D CA -0.409 53.651 54.000 0.099 0.000 0.881 652 D CB 2.385 43.202 40.800 0.029 0.000 1.500 652 D HN -0.083 nan 8.370 nan 0.000 0.458 653 I N 1.563 122.152 120.570 0.032 0.000 2.406 653 I HA 0.295 4.467 4.170 0.004 0.000 0.290 653 I C -0.953 175.178 176.117 0.022 0.000 0.999 653 I CA -0.669 60.721 61.300 0.151 0.000 1.124 653 I CB 1.101 39.132 38.000 0.050 0.000 1.289 653 I HN 0.184 nan 8.210 nan 0.000 0.441 654 Y N 5.547 126.009 120.300 0.270 0.000 2.567 654 Y HA 0.648 5.201 4.550 0.004 0.000 0.333 654 Y C -0.340 175.670 175.900 0.182 0.000 1.106 654 Y CA -0.861 57.348 58.100 0.181 0.000 1.157 654 Y CB 1.734 40.275 38.460 0.135 0.000 1.277 654 Y HN 0.343 nan 8.280 nan 0.000 0.490 655 L N 2.960 124.363 121.223 0.300 0.000 2.385 655 L HA 0.605 4.947 4.340 0.004 0.000 0.273 655 L C -1.636 175.372 176.870 0.230 0.000 0.990 655 L CA -0.831 54.151 54.840 0.236 0.000 0.821 655 L CB 1.683 43.829 42.059 0.145 0.000 1.279 655 L HN 0.644 nan 8.230 nan 0.000 0.412 656 L N 4.512 125.892 121.223 0.262 0.000 2.334 656 L HA 0.600 4.942 4.340 0.004 0.000 0.276 656 L C -0.988 175.964 176.870 0.137 0.000 1.014 656 L CA -0.183 54.751 54.840 0.155 0.000 0.815 656 L CB 1.725 43.824 42.059 0.066 0.000 1.268 656 L HN 0.680 nan 8.230 nan 0.000 0.428 657 E N 3.486 123.732 120.200 0.077 0.000 2.290 657 E HA 0.190 4.543 4.350 0.004 0.000 0.274 657 E C -1.196 175.459 176.600 0.092 0.000 0.889 657 E CA -0.488 55.971 56.400 0.099 0.000 0.760 657 E CB 1.385 31.138 29.700 0.088 0.000 1.206 657 E HN 0.773 nan 8.360 nan 0.000 0.419 658 N N 3.588 122.376 118.700 0.146 0.000 2.170 658 N HA 0.143 4.885 4.740 0.004 0.000 0.222 658 N C 0.941 176.573 175.510 0.203 0.000 1.218 658 N CA 0.700 53.848 53.050 0.163 0.000 0.889 658 N CB 1.142 39.771 38.487 0.237 0.000 1.083 658 N HN 0.771 nan 8.380 nan 0.000 0.520 659 G N 0.830 109.733 108.800 0.172 0.000 2.258 659 G HA2 -0.262 3.700 3.960 0.004 0.000 0.233 659 G HA3 -0.262 3.700 3.960 0.004 0.000 0.233 659 G C 0.628 175.629 174.900 0.169 0.000 1.006 659 G CA 0.480 45.671 45.100 0.151 0.000 0.620 659 G HN 0.305 nan 8.290 nan 0.000 0.511 660 L N -0.394 120.970 121.223 0.237 0.000 2.577 660 L HA 0.405 4.747 4.340 0.004 0.000 0.225 660 L C 0.562 177.583 176.870 0.253 0.000 1.053 660 L CA 0.171 55.159 54.840 0.246 0.000 0.866 660 L CB 0.161 42.399 42.059 0.299 0.000 1.132 660 L HN 0.116 nan 8.230 nan 0.000 0.486 661 N N 0.243 119.107 118.700 0.274 0.000 2.229 661 N HA 0.498 5.241 4.740 0.004 0.000 0.298 661 N C -1.399 174.235 175.510 0.207 0.000 1.114 661 N CA -0.355 52.837 53.050 0.235 0.000 0.776 661 N CB 3.172 41.867 38.487 0.347 0.000 1.501 661 N HN -0.081 nan 8.380 nan 0.000 0.474 662 L N 2.282 123.562 121.223 0.094 0.000 2.305 662 L HA 0.508 4.850 4.340 0.004 0.000 0.284 662 L C -0.812 176.080 176.870 0.035 0.000 1.013 662 L CA -0.574 54.327 54.840 0.102 0.000 0.819 662 L CB 0.638 42.711 42.059 0.023 0.000 1.227 662 L HN 0.366 nan 8.230 nan 0.000 0.417 663 F N 3.734 123.679 119.950 -0.008 0.000 2.461 663 F HA 0.641 5.170 4.527 0.004 0.000 0.337 663 F C -0.266 175.564 175.800 0.050 0.000 1.079 663 F CA -0.741 57.279 58.000 0.033 0.000 1.032 663 F CB 1.346 40.437 39.000 0.153 0.000 1.327 663 F HN 0.135 nan 8.300 nan 0.000 0.491 664 L N 1.009 122.357 121.223 0.208 0.000 2.661 664 L HA 0.249 4.591 4.340 0.004 0.000 0.263 664 L C -2.082 174.825 176.870 0.062 0.000 0.956 664 L CA -0.331 54.578 54.840 0.114 0.000 0.918 664 L CB 1.239 43.313 42.059 0.027 0.000 1.280 664 L HN 0.620 nan 8.230 nan 0.000 0.416 665 W N 6.218 127.441 121.300 -0.128 0.000 2.475 665 W HA 0.784 5.446 4.660 0.004 0.000 0.317 665 W C -1.288 175.188 176.519 -0.072 0.000 1.046 665 W CA -0.550 56.655 57.345 -0.233 0.000 1.215 665 W CB 1.549 30.767 29.460 -0.404 0.000 1.335 665 W HN 0.299 nan 8.180 nan 0.000 0.471 666 V N 6.824 126.288 119.914 -0.751 0.000 2.680 666 V HA 0.767 4.889 4.120 0.004 0.000 0.309 666 V C 0.509 175.920 176.094 -1.138 0.000 1.052 666 V CA -0.355 61.549 62.300 -0.660 0.000 0.908 666 V CB 1.055 32.660 31.823 -0.365 0.000 1.001 666 V HN 0.794 nan 8.190 nan 0.000 0.431 667 G N 1.693 110.039 108.800 -0.758 0.000 3.271 667 G HA2 0.862 4.825 3.960 0.004 0.000 0.174 667 G HA3 0.862 4.825 3.960 0.004 0.000 0.174 667 G C -0.155 174.600 174.900 -0.242 0.000 1.385 667 G CA 0.273 45.031 45.100 -0.569 0.000 0.979 667 G HN 1.071 nan 8.290 nan 0.000 0.610 668 A N -2.633 120.133 122.820 -0.090 0.000 3.886 668 A HA 0.654 4.976 4.320 0.004 0.000 0.217 668 A C 1.258 178.837 177.584 -0.009 0.000 0.876 668 A CA 1.112 53.120 52.037 -0.048 0.000 0.726 668 A CB 0.058 19.042 19.000 -0.026 0.000 1.479 668 A HN 1.916 nan 8.150 nan 0.000 0.792 669 S N -1.873 113.828 115.700 0.002 0.000 3.214 669 S HA -0.161 4.312 4.470 0.004 0.000 0.342 669 S C 0.156 174.760 174.600 0.006 0.000 1.204 669 S CA 0.776 58.983 58.200 0.011 0.000 0.984 669 S CB -1.691 61.527 63.200 0.030 0.000 0.975 669 S HN 1.415 nan 8.310 nan 0.000 0.607 670 V N 2.066 121.976 119.914 -0.007 0.000 2.607 670 V HA 0.257 4.379 4.120 0.004 0.000 0.289 670 V C 1.383 177.470 176.094 -0.011 0.000 1.053 670 V CA -0.418 61.876 62.300 -0.010 0.000 0.996 670 V CB 1.575 33.384 31.823 -0.023 0.000 0.995 670 V HN 0.470 nan 8.190 nan 0.000 0.476 671 Q N 1.919 121.715 119.800 -0.008 0.000 1.353 671 Q HA -0.011 4.331 4.340 0.004 0.000 0.634 671 Q C 0.554 176.547 176.000 -0.012 0.000 0.941 671 Q CA 1.357 57.156 55.803 -0.008 0.000 0.895 671 Q CB -0.066 28.669 28.738 -0.006 0.000 0.930 671 Q HN 0.778 nan 8.270 nan 0.000 0.338 672 Q N -2.170 117.622 119.800 -0.013 0.000 2.913 672 Q HA 0.406 4.748 4.340 0.004 0.000 0.208 672 Q C -1.145 174.846 176.000 -0.015 0.000 0.848 672 Q CA 0.378 56.172 55.803 -0.016 0.000 1.227 672 Q CB 0.431 29.161 28.738 -0.014 0.000 1.647 672 Q HN 0.660 nan 8.270 nan 0.000 0.591 673 G N 1.310 110.099 108.800 -0.017 0.000 2.240 673 G HA2 -0.078 3.885 3.960 0.004 0.000 0.181 673 G HA3 -0.078 3.885 3.960 0.004 0.000 0.181 673 G C -0.125 174.765 174.900 -0.016 0.000 1.028 673 G CA 0.291 45.382 45.100 -0.016 0.000 0.760 673 G HN 0.578 nan 8.290 nan 0.000 0.508 674 V N -0.752 119.151 119.914 -0.019 0.000 3.408 674 V HA 0.329 4.452 4.120 0.004 0.000 0.263 674 V C 1.182 177.261 176.094 -0.025 0.000 1.503 674 V CA 0.903 63.191 62.300 -0.020 0.000 1.046 674 V CB 1.081 32.894 31.823 -0.018 0.000 0.851 674 V HN 0.227 nan 8.190 nan 0.000 0.435 687 I N 1.740 122.276 120.570 -0.056 0.000 2.822 687 I HA 0.436 4.608 4.170 0.004 0.000 0.312 687 I C -0.322 175.764 176.117 -0.051 0.000 1.011 687 I CA -0.935 60.332 61.300 -0.055 0.000 1.105 687 I CB 2.052 40.010 38.000 -0.069 0.000 1.291 687 I HN 0.203 nan 8.210 nan 0.000 0.474 688 T N 3.005 117.532 114.554 -0.045 0.000 3.462 688 T HA 0.058 4.410 4.350 0.004 0.000 0.257 688 T C 0.348 175.021 174.700 -0.044 0.000 1.015 688 T CA -0.158 61.918 62.100 -0.040 0.000 1.135 688 T CB -0.732 68.114 68.868 -0.035 0.000 1.061 688 T HN 0.487 nan 8.240 nan 0.000 0.772 689 S N 2.549 118.222 115.700 -0.045 0.000 2.626 689 S HA 0.326 4.799 4.470 0.004 0.000 0.303 689 S C 1.447 176.027 174.600 -0.034 0.000 1.256 689 S CA 0.353 58.526 58.200 -0.045 0.000 1.069 689 S CB 0.049 63.228 63.200 -0.035 0.000 0.807 689 S HN 1.082 nan 8.310 nan 0.000 0.500 690 G N 1.905 110.680 108.800 -0.042 0.000 2.325 690 G HA2 -0.181 3.781 3.960 0.004 0.000 0.248 690 G HA3 -0.181 3.781 3.960 0.004 0.000 0.248 690 G C -0.515 174.357 174.900 -0.047 0.000 1.108 690 G CA -0.415 44.660 45.100 -0.041 0.000 0.881 690 G HN 0.656 nan 8.290 nan 0.000 0.494 691 L N 1.187 122.376 121.223 -0.057 0.000 2.312 691 L HA 0.772 5.114 4.340 0.004 0.000 0.281 691 L C 1.392 178.230 176.870 -0.053 0.000 1.070 691 L CA 0.637 55.448 54.840 -0.049 0.000 0.805 691 L CB 1.542 43.573 42.059 -0.047 0.000 1.174 691 L HN 0.586 nan 8.230 nan 0.000 0.434 692 S N 2.532 118.209 115.700 -0.038 0.000 2.540 692 S HA 0.380 4.852 4.470 0.004 0.000 0.218 692 S C 0.143 174.740 174.600 -0.005 0.000 0.977 692 S CA -0.299 57.886 58.200 -0.026 0.000 0.918 692 S CB -0.165 63.026 63.200 -0.015 0.000 0.806 692 S HN 0.308 nan 8.310 nan 0.000 0.496 693 V N 0.877 120.784 119.914 -0.012 0.000 3.114 693 V HA 0.600 4.722 4.120 0.004 0.000 0.308 693 V C -1.517 174.573 176.094 -0.008 0.000 1.168 693 V CA -0.988 61.312 62.300 0.001 0.000 1.015 693 V CB 2.054 33.877 31.823 -0.001 0.000 1.050 693 V HN 0.280 nan 8.190 nan 0.000 0.433 694 L N 5.020 126.243 121.223 -0.000 0.000 2.342 694 L HA 0.677 5.019 4.340 0.004 0.000 0.276 694 L C -2.212 174.655 176.870 -0.005 0.000 0.997 694 L CA -1.429 53.408 54.840 -0.006 0.000 0.838 694 L CB 1.651 43.708 42.059 -0.004 0.000 1.224 694 L HN 0.558 nan 8.230 nan 0.000 0.416 695 P HA 0.057 nan 4.420 nan 0.000 0.265 695 P C -0.541 176.754 177.300 -0.008 0.000 1.193 695 P CA -0.177 62.916 63.100 -0.010 0.000 0.765 695 P CB 0.843 32.534 31.700 -0.015 0.000 0.823 696 V N 4.654 124.564 119.914 -0.006 0.000 2.521 696 V HA 0.117 4.239 4.120 0.004 0.000 0.286 696 V C 0.783 176.872 176.094 -0.008 0.000 1.034 696 V CA 0.257 62.553 62.300 -0.005 0.000 1.045 696 V CB -0.097 31.723 31.823 -0.004 0.000 0.974 696 V HN 0.390 nan 8.190 nan 0.000 0.480 697 L N 3.755 124.973 121.223 -0.007 0.000 2.409 697 L HA 0.516 4.858 4.340 0.004 0.000 0.262 697 L C -0.208 176.657 176.870 -0.007 0.000 0.992 697 L CA -0.595 54.240 54.840 -0.008 0.000 0.817 697 L CB 2.414 44.467 42.059 -0.010 0.000 1.350 697 L HN 0.485 nan 8.230 nan 0.000 0.411 698 D N 3.547 123.943 120.400 -0.007 0.000 2.631 698 D HA 0.138 4.780 4.640 0.004 0.000 0.227 698 D C -1.269 175.027 176.300 -0.007 0.000 1.146 698 D CA 0.006 54.003 54.000 -0.006 0.000 1.009 698 D CB 0.162 40.959 40.800 -0.006 0.000 1.057 698 D HN 0.628 nan 8.370 nan 0.000 0.509 699 N N 1.279 119.975 118.700 -0.007 0.000 2.455 699 N HA 0.164 4.906 4.740 0.004 0.000 0.285 699 N C -2.639 172.867 175.510 -0.007 0.000 1.080 699 N CA -1.320 51.726 53.050 -0.007 0.000 0.932 699 N CB 1.616 40.098 38.487 -0.009 0.000 1.610 699 N HN -0.199 nan 8.380 nan 0.000 0.493 700 P HA -0.114 nan 4.420 nan 0.000 0.220 700 P C 0.978 178.274 177.300 -0.007 0.000 1.144 700 P CA 1.103 64.200 63.100 -0.005 0.000 0.808 700 P CB 0.354 32.051 31.700 -0.005 0.000 0.763 701 L N -2.643 118.575 121.223 -0.008 0.000 2.585 701 L HA 0.124 4.466 4.340 0.004 0.000 0.226 701 L C 2.100 178.963 176.870 -0.010 0.000 1.113 701 L CA 0.625 55.459 54.840 -0.010 0.000 0.876 701 L CB -0.223 41.829 42.059 -0.012 0.000 1.072 701 L HN -0.024 nan 8.230 nan 0.000 0.468 702 S N -0.411 115.283 115.700 -0.009 0.000 2.497 702 S HA 0.045 4.517 4.470 0.004 0.000 0.221 702 S C 1.717 176.314 174.600 -0.006 0.000 1.037 702 S CA 0.122 58.317 58.200 -0.008 0.000 0.920 702 S CB 0.241 63.436 63.200 -0.009 0.000 0.800 702 S HN 0.247 nan 8.310 nan 0.000 0.505 703 K N 0.849 121.246 120.400 -0.005 0.000 2.432 703 K HA 0.110 4.433 4.320 0.004 0.000 0.196 703 K C 1.778 178.376 176.600 -0.002 0.000 1.038 703 K CA 0.514 56.800 56.287 -0.003 0.000 0.986 703 K CB 0.153 32.651 32.500 -0.003 0.000 0.782 703 K HN 0.304 nan 8.250 nan 0.000 0.485 704 K N 0.398 120.796 120.400 -0.003 0.000 2.056 704 K HA 0.001 4.323 4.320 0.004 0.000 0.205 704 K C 2.046 178.646 176.600 -0.001 0.000 1.035 704 K CA 0.691 56.977 56.287 -0.002 0.000 0.955 704 K CB -0.056 32.441 32.500 -0.005 0.000 0.769 704 K HN -0.141 nan 8.250 nan 0.000 0.447 705 V N 2.066 121.979 119.914 -0.002 0.000 2.332 705 V HA -0.257 3.865 4.120 0.004 0.000 0.248 705 V C 2.263 178.358 176.094 0.002 0.000 1.055 705 V CA 1.742 64.043 62.300 0.001 0.000 1.038 705 V CB -0.559 31.264 31.823 -0.000 0.000 0.651 705 V HN 0.281 nan 8.190 nan 0.000 0.450 706 R N 0.066 120.566 120.500 -0.000 0.000 2.090 706 R HA -0.034 4.308 4.340 0.004 0.000 0.228 706 R C 2.464 178.764 176.300 -0.001 0.000 1.110 706 R CA 1.258 57.358 56.100 -0.000 0.000 0.973 706 R CB -0.706 29.595 30.300 0.001 0.000 0.869 706 R HN 0.582 nan 8.270 nan 0.000 0.440 707 G N 0.930 109.730 108.800 -0.000 0.000 2.471 707 G HA2 -0.202 3.760 3.960 0.004 0.000 0.219 707 G HA3 -0.202 3.760 3.960 0.004 0.000 0.219 707 G C 1.277 176.177 174.900 -0.001 0.000 1.125 707 G CA 0.154 45.254 45.100 -0.000 0.000 0.775 707 G HN 0.126 nan 8.290 nan 0.000 0.548 708 L N 0.612 121.836 121.223 0.001 0.000 2.068 708 L HA 0.241 4.584 4.340 0.004 0.000 0.204 708 L C 2.660 179.529 176.870 -0.002 0.000 1.076 708 L CA 1.068 55.911 54.840 0.004 0.000 0.753 708 L CB -0.383 41.682 42.059 0.011 0.000 0.910 708 L HN 0.217 nan 8.230 nan 0.000 0.439 709 I N -0.197 120.369 120.570 -0.007 0.000 2.118 709 I HA -0.342 3.830 4.170 0.004 0.000 0.241 709 I C 2.104 178.192 176.117 -0.048 0.000 1.070 709 I CA 1.720 63.005 61.300 -0.025 0.000 1.327 709 I CB -0.699 37.285 38.000 -0.027 0.000 1.034 709 I HN 0.305 nan 8.210 nan 0.000 0.405 710 D N 0.241 120.621 120.400 -0.034 0.000 2.149 710 D HA -0.183 4.460 4.640 0.004 0.000 0.198 710 D C 2.285 178.568 176.300 -0.028 0.000 0.990 710 D CA 1.646 55.626 54.000 -0.034 0.000 0.839 710 D CB -0.083 40.711 40.800 -0.009 0.000 0.948 710 D HN 0.245 nan 8.370 nan 0.000 0.460 711 S N 0.064 115.754 115.700 -0.016 0.000 2.345 711 S HA -0.081 4.391 4.470 0.004 0.000 0.220 711 S C 2.230 176.824 174.600 -0.010 0.000 1.031 711 S CA 0.626 58.821 58.200 -0.008 0.000 0.996 711 S CB -0.246 62.954 63.200 -0.001 0.000 0.882 711 S HN 0.175 nan 8.310 nan 0.000 0.445 712 L N 0.690 121.907 121.223 -0.010 0.000 2.083 712 L HA -0.053 4.289 4.340 0.004 0.000 0.209 712 L C 2.875 179.732 176.870 -0.022 0.000 1.083 712 L CA 1.318 56.155 54.840 -0.005 0.000 0.752 712 L CB -0.526 41.536 42.059 0.006 0.000 0.899 712 L HN 0.272 nan 8.230 nan 0.000 0.433 713 R N -0.019 120.444 120.500 -0.061 0.000 2.148 713 R HA -0.059 4.283 4.340 0.004 0.000 0.227 713 R C 2.372 178.643 176.300 -0.048 0.000 1.103 713 R CA 1.044 57.082 56.100 -0.103 0.000 0.983 713 R CB -0.304 29.847 30.300 -0.249 0.000 0.874 713 R HN 0.336 nan 8.270 nan 0.000 0.451 714 A N 1.491 124.296 122.820 -0.026 0.000 2.066 714 A HA -0.151 4.171 4.320 0.004 0.000 0.218 714 A C 1.651 179.238 177.584 0.006 0.000 1.157 714 A CA 0.855 52.890 52.037 -0.002 0.000 0.670 714 A CB -0.160 18.839 19.000 -0.002 0.000 0.804 714 A HN 0.446 nan 8.150 nan 0.000 0.453 715 Q N -0.361 119.441 119.800 0.003 0.000 2.237 715 Q HA 0.281 4.623 4.340 0.004 0.000 0.252 715 Q C -0.497 175.513 176.000 0.017 0.000 0.877 715 Q CA -0.418 55.389 55.803 0.007 0.000 1.011 715 Q CB 0.311 29.052 28.738 0.004 0.000 1.118 715 Q HN 0.295 nan 8.270 nan 0.000 0.458 716 R N -0.139 120.376 120.500 0.025 0.000 2.725 716 R HA 0.330 4.672 4.340 0.004 0.000 0.277 716 R C 0.151 176.488 176.300 0.061 0.000 0.987 716 R CA -0.603 55.522 56.100 0.042 0.000 0.901 716 R CB 1.708 32.036 30.300 0.046 0.000 1.207 716 R HN 0.058 nan 8.270 nan 0.000 0.463 717 S N 1.099 116.841 115.700 0.069 0.000 2.402 717 S HA -0.023 4.449 4.470 0.004 0.000 0.229 717 S C 0.535 175.224 174.600 0.148 0.000 1.021 717 S CA 1.136 59.392 58.200 0.092 0.000 0.974 717 S CB 0.060 63.304 63.200 0.072 0.000 0.800 717 S HN 0.296 nan 8.310 nan 0.000 0.484 718 R N -0.283 120.313 120.500 0.161 0.000 2.686 718 R HA 0.327 4.669 4.340 0.004 0.000 0.286 718 R C -1.345 175.099 176.300 0.239 0.000 0.969 718 R CA -0.740 55.504 56.100 0.240 0.000 0.898 718 R CB 1.247 31.711 30.300 0.273 0.000 1.183 718 R HN 0.205 nan 8.270 nan 0.000 0.456 719 Y N 3.466 123.866 120.300 0.166 0.000 2.713 719 Y HA -0.008 4.545 4.550 0.004 0.000 0.341 719 Y C 0.054 176.052 175.900 0.164 0.000 1.167 719 Y CA 0.469 58.656 58.100 0.145 0.000 1.503 719 Y CB 0.332 38.877 38.460 0.142 0.000 1.199 719 Y HN 0.398 nan 8.280 nan 0.000 0.525 720 M N 7.432 127.028 119.600 -0.007 0.000 2.146 720 M HA 0.108 4.591 4.480 0.004 0.000 0.352 720 M C 0.108 176.463 176.300 0.091 0.000 1.343 720 M CA -0.035 55.311 55.300 0.076 0.000 1.115 720 M CB 0.502 33.116 32.600 0.024 0.000 1.657 720 M HN 0.463 nan 8.290 nan 0.000 0.471 721 K N 4.340 124.870 120.400 0.216 0.000 2.349 721 K HA 0.178 4.501 4.320 0.004 0.000 0.289 721 K C -1.043 175.587 176.600 0.051 0.000 1.064 721 K CA -0.418 55.993 56.287 0.207 0.000 0.947 721 K CB 0.509 33.143 32.500 0.222 0.000 1.007 721 K HN 0.595 nan 8.250 nan 0.000 0.478 722 L N 4.617 125.858 121.223 0.030 0.000 2.426 722 L HA 0.172 4.514 4.340 0.004 0.000 0.271 722 L C -0.340 176.458 176.870 -0.121 0.000 1.169 722 L CA 0.743 55.548 54.840 -0.057 0.000 0.836 722 L CB 0.812 42.858 42.059 -0.021 0.000 1.112 722 L HN 0.754 nan 8.230 nan 0.000 0.465 723 T N 2.577 116.981 114.554 -0.249 0.000 3.066 723 T HA 0.535 4.887 4.350 0.004 0.000 0.318 723 T C -0.567 173.983 174.700 -0.249 0.000 0.979 723 T CA -0.766 61.167 62.100 -0.278 0.000 1.025 723 T CB 0.428 69.038 68.868 -0.431 0.000 1.002 723 T HN 0.384 nan 8.240 nan 0.000 0.453 724 V N 3.816 123.650 119.914 -0.134 0.000 2.649 724 V HA 0.734 4.856 4.120 0.004 0.000 0.292 724 V C 0.656 176.696 176.094 -0.090 0.000 1.055 724 V CA -0.512 61.732 62.300 -0.095 0.000 1.023 724 V CB 0.990 32.768 31.823 -0.074 0.000 0.992 724 V HN 1.023 nan 8.190 nan 0.000 0.480 725 V N 1.435 121.291 119.914 -0.096 0.000 3.049 725 V HA 0.715 4.837 4.120 0.004 0.000 0.309 725 V C -0.802 175.156 176.094 -0.227 0.000 1.148 725 V CA -1.217 61.021 62.300 -0.104 0.000 0.990 725 V CB 1.925 33.736 31.823 -0.020 0.000 1.039 725 V HN 0.859 nan 8.190 nan 0.000 0.430 726 K N 2.021 122.293 120.400 -0.213 0.000 2.274 726 K HA 0.439 4.761 4.320 0.004 0.000 0.262 726 K C 0.956 177.371 176.600 -0.309 0.000 0.961 726 K CA -0.291 55.801 56.287 -0.325 0.000 0.833 726 K CB 2.031 34.405 32.500 -0.210 0.000 1.102 726 K HN 0.958 nan 8.250 nan 0.000 0.436 727 Q N 2.210 121.663 119.800 -0.579 0.000 2.001 727 Q HA -0.290 4.052 4.340 0.004 0.000 0.222 727 Q C -0.630 175.390 176.000 0.033 0.000 1.063 727 Q CA 2.170 57.843 55.803 -0.218 0.000 0.911 727 Q CB -0.113 28.454 28.738 -0.285 0.000 1.041 727 Q HN 0.727 nan 8.270 nan 0.000 0.433 728 E N 0.346 120.537 120.200 -0.015 0.000 2.331 728 E HA 0.102 4.455 4.350 0.004 0.000 0.272 728 E C -0.199 176.410 176.600 0.014 0.000 1.036 728 E CA 0.438 56.854 56.400 0.027 0.000 0.864 728 E CB 0.903 30.613 29.700 0.016 0.000 1.035 728 E HN 0.319 nan 8.360 nan 0.000 0.408 729 D N 0.284 120.707 120.400 0.038 0.000 2.554 729 D HA -0.201 4.442 4.640 0.004 0.000 0.178 729 D C 0.710 177.032 176.300 0.038 0.000 1.054 729 D CA 1.584 55.605 54.000 0.033 0.000 1.052 729 D CB -0.302 40.507 40.800 0.015 0.000 1.112 729 D HN 0.337 nan 8.370 nan 0.000 0.448 730 K N -0.565 119.858 120.400 0.039 0.000 3.623 730 K HA 0.358 4.680 4.320 0.004 0.000 0.187 730 K C 1.771 178.420 176.600 0.082 0.000 1.136 730 K CA -0.020 56.294 56.287 0.045 0.000 1.555 730 K CB -0.594 31.917 32.500 0.019 0.000 2.144 730 K HN 0.126 nan 8.250 nan 0.000 0.483 731 M N 1.678 121.340 119.600 0.104 0.000 2.494 731 M HA 0.100 4.582 4.480 0.004 0.000 0.232 731 M C 1.257 177.699 176.300 0.237 0.000 1.137 731 M CA 0.186 55.584 55.300 0.163 0.000 1.012 731 M CB 0.253 32.955 32.600 0.171 0.000 1.567 731 M HN 0.196 nan 8.290 nan 0.000 0.486 732 E N 1.852 122.178 120.200 0.211 0.000 2.219 732 E HA -0.175 4.177 4.350 0.004 0.000 0.198 732 E C 1.654 178.412 176.600 0.264 0.000 0.998 732 E CA 1.536 58.103 56.400 0.278 0.000 0.818 732 E CB -0.088 29.750 29.700 0.230 0.000 0.741 732 E HN 0.514 nan 8.360 nan 0.000 0.477 733 M N -0.590 119.130 119.600 0.200 0.000 2.632 733 M HA -0.051 4.432 4.480 0.004 0.000 0.256 733 M C 1.343 177.760 176.300 0.195 0.000 1.080 733 M CA 0.755 56.155 55.300 0.168 0.000 1.084 733 M CB 0.113 32.789 32.600 0.127 0.000 1.439 733 M HN 0.184 nan 8.290 nan 0.000 0.509 734 L N -2.305 119.078 121.223 0.265 0.000 2.435 734 L HA 0.084 4.427 4.340 0.004 0.000 0.195 734 L C 2.161 179.264 176.870 0.389 0.000 1.072 734 L CA 0.100 55.127 54.840 0.311 0.000 0.833 734 L CB -0.654 41.610 42.059 0.342 0.000 1.081 734 L HN 0.066 nan 8.230 nan 0.000 0.485 735 F N 2.329 122.439 119.950 0.266 0.000 2.141 735 F HA -0.361 4.168 4.527 0.004 0.000 0.300 735 F C 2.477 178.341 175.800 0.107 0.000 1.079 735 F CA 2.137 60.212 58.000 0.125 0.000 1.264 735 F CB -0.123 38.972 39.000 0.159 0.000 1.011 735 F HN -0.080 nan 8.300 nan 0.000 0.487 736 K N -0.184 120.293 120.400 0.128 0.000 2.160 736 K HA -0.276 4.046 4.320 0.004 0.000 0.206 736 K C 2.336 178.876 176.600 -0.100 0.000 1.047 736 K CA 1.882 58.155 56.287 -0.023 0.000 0.930 736 K CB -0.938 31.597 32.500 0.058 0.000 0.720 736 K HN 0.519 nan 8.250 nan 0.000 0.450 737 H N -0.574 118.431 119.070 -0.108 0.000 2.387 737 H HA -0.136 4.423 4.556 0.004 0.000 0.299 737 H C 1.110 176.183 175.328 -0.425 0.000 1.099 737 H CA 1.860 57.764 56.048 -0.241 0.000 1.315 737 H CB -0.143 29.456 29.762 -0.272 0.000 1.380 737 H HN 0.268 nan 8.280 nan 0.000 0.513 738 F N 0.516 120.278 119.950 -0.313 0.000 2.748 738 F HA 0.054 4.584 4.527 0.004 0.000 0.299 738 F C 1.626 177.092 175.800 -0.556 0.000 1.154 738 F CA 0.255 57.971 58.000 -0.472 0.000 1.446 738 F CB -0.084 38.470 39.000 -0.744 0.000 1.112 738 F HN 0.014 nan 8.300 nan 0.000 0.584 739 L N 1.061 122.051 121.223 -0.389 0.000 2.998 739 L HA 0.101 4.444 4.340 0.004 0.000 0.234 739 L C 1.650 178.338 176.870 -0.304 0.000 1.350 739 L CA -0.340 54.273 54.840 -0.378 0.000 1.202 739 L CB -0.499 41.353 42.059 -0.345 0.000 1.583 739 L HN 0.053 nan 8.230 nan 0.000 0.456 740 V N -2.770 116.946 119.914 -0.329 0.000 2.987 740 V HA -0.287 3.835 4.120 0.004 0.000 0.270 740 V C 1.594 177.585 176.094 -0.171 0.000 1.168 740 V CA 1.970 64.106 62.300 -0.273 0.000 1.175 740 V CB -0.676 31.006 31.823 -0.234 0.000 0.767 740 V HN 0.749 nan 8.190 nan 0.000 0.528 741 E N -0.229 119.888 120.200 -0.139 0.000 2.444 741 E HA 0.096 4.448 4.350 0.004 0.000 0.191 741 E C 0.395 177.000 176.600 0.009 0.000 1.041 741 E CA -0.177 56.212 56.400 -0.018 0.000 0.883 741 E CB 0.248 29.970 29.700 0.038 0.000 1.024 741 E HN 0.794 nan 8.360 nan 0.000 0.470 742 D N 0.265 120.633 120.400 -0.055 0.000 2.595 742 D HA 0.192 4.835 4.640 0.004 0.000 0.268 742 D C -0.482 175.804 176.300 -0.023 0.000 1.181 742 D CA -0.470 53.508 54.000 -0.036 0.000 1.085 742 D CB 0.943 41.703 40.800 -0.067 0.000 1.186 742 D HN -0.071 nan 8.370 nan 0.000 0.621 743 K N 0.331 120.724 120.400 -0.011 0.000 2.292 743 K HA 0.340 4.662 4.320 0.004 0.000 0.270 743 K C -0.116 176.471 176.600 -0.022 0.000 1.062 743 K CA -0.437 55.852 56.287 0.003 0.000 0.916 743 K CB 1.417 33.932 32.500 0.024 0.000 1.166 743 K HN 0.093 nan 8.250 nan 0.000 0.458 744 S N 3.112 118.784 115.700 -0.048 0.000 2.568 744 S HA 0.085 4.557 4.470 0.004 0.000 0.282 744 S C 1.418 176.006 174.600 -0.020 0.000 1.338 744 S CA -0.589 57.577 58.200 -0.058 0.000 1.045 744 S CB 0.338 63.476 63.200 -0.104 0.000 0.873 744 S HN 0.637 nan 8.310 nan 0.000 0.516 745 L N 3.665 124.885 121.223 -0.006 0.000 2.042 745 L HA -0.094 4.248 4.340 0.004 0.000 0.210 745 L C 2.374 179.250 176.870 0.011 0.000 1.076 745 L CA 1.544 56.391 54.840 0.011 0.000 0.749 745 L CB -0.890 41.183 42.059 0.024 0.000 0.893 745 L HN 0.857 nan 8.230 nan 0.000 0.432 746 S N 0.292 115.997 115.700 0.009 0.000 3.009 746 S HA 0.199 4.671 4.470 0.004 0.000 0.243 746 S C 1.212 175.816 174.600 0.006 0.000 1.012 746 S CA 0.162 58.370 58.200 0.013 0.000 1.113 746 S CB -0.699 62.514 63.200 0.021 0.000 0.827 746 S HN 0.605 nan 8.310 nan 0.000 0.495 747 G N -0.240 108.562 108.800 0.004 0.000 2.256 747 G HA2 -0.046 3.917 3.960 0.004 0.000 0.272 747 G HA3 -0.046 3.917 3.960 0.004 0.000 0.272 747 G C 0.206 175.108 174.900 0.004 0.000 1.076 747 G CA -0.389 44.714 45.100 0.005 0.000 0.882 747 G HN 1.133 nan 8.290 nan 0.000 0.497 748 G N -0.668 108.127 108.800 -0.009 0.000 2.371 748 G HA2 0.862 4.824 3.960 0.004 0.000 0.326 748 G HA3 0.862 4.824 3.960 0.004 0.000 0.326 748 G C 0.294 175.204 174.900 0.017 0.000 1.127 748 G CA 0.461 45.549 45.100 -0.021 0.000 0.885 748 G HN 1.486 nan 8.290 nan 0.000 0.477 749 A N 1.417 124.276 122.820 0.065 0.000 2.286 749 A HA 0.719 5.041 4.320 0.004 0.000 0.286 749 A C 0.804 178.463 177.584 0.125 0.000 1.097 749 A CA -0.216 51.909 52.037 0.147 0.000 0.821 749 A CB 0.996 20.187 19.000 0.319 0.000 1.076 749 A HN 0.982 nan 8.150 nan 0.000 0.490 750 S N -0.903 114.889 115.700 0.154 0.000 2.601 750 S HA 0.270 4.742 4.470 0.004 0.000 0.271 750 S C 0.939 175.664 174.600 0.209 0.000 1.305 750 S CA -0.334 57.941 58.200 0.125 0.000 1.022 750 S CB 0.191 63.441 63.200 0.083 0.000 0.940 750 S HN 0.780 nan 8.310 nan 0.000 0.525 751 Y N 4.613 124.931 120.300 0.031 0.000 2.128 751 Y HA -0.114 4.439 4.550 0.004 0.000 0.284 751 Y C 1.881 177.824 175.900 0.072 0.000 1.154 751 Y CA 2.182 60.307 58.100 0.043 0.000 1.149 751 Y CB -1.125 37.329 38.460 -0.009 0.000 0.976 751 Y HN 0.451 nan 8.280 nan 0.000 0.505 752 V N 0.852 120.667 119.914 -0.165 0.000 2.490 752 V HA -0.275 3.847 4.120 0.004 0.000 0.250 752 V C 2.202 178.205 176.094 -0.151 0.000 1.061 752 V CA 2.145 64.276 62.300 -0.281 0.000 1.064 752 V CB -0.614 31.095 31.823 -0.189 0.000 0.670 752 V HN 0.373 nan 8.190 nan 0.000 0.461 753 D N -0.541 119.839 120.400 -0.033 0.000 2.110 753 D HA -0.121 4.521 4.640 0.004 0.000 0.202 753 D C 1.965 178.202 176.300 -0.105 0.000 0.975 753 D CA 1.082 55.024 54.000 -0.096 0.000 0.839 753 D CB -0.266 40.622 40.800 0.147 0.000 0.996 753 D HN 0.400 nan 8.370 nan 0.000 0.464 754 F N 1.894 121.883 119.950 0.066 0.000 2.147 754 F HA -0.205 4.324 4.527 0.003 0.000 0.301 754 F C 2.269 178.096 175.800 0.047 0.000 1.084 754 F CA 1.064 59.148 58.000 0.139 0.000 1.268 754 F CB -0.275 38.822 39.000 0.162 0.000 1.009 754 F HN -0.089 nan 8.300 nan 0.000 0.486 755 L N -1.012 120.270 121.223 0.099 0.000 2.131 755 L HA -0.260 4.082 4.340 0.004 0.000 0.210 755 L C 2.604 179.403 176.870 -0.119 0.000 1.092 755 L CA 1.569 56.400 54.840 -0.016 0.000 0.759 755 L CB -0.486 41.517 42.059 -0.092 0.000 0.903 755 L HN 0.498 nan 8.230 nan 0.000 0.435 756 C N -0.505 118.672 119.300 -0.205 0.000 2.500 756 C HA -0.113 4.350 4.460 0.004 0.000 0.279 756 C C 2.608 177.471 174.990 -0.213 0.000 1.288 756 C CA 0.240 59.127 59.018 -0.219 0.000 1.710 756 C CB -0.901 26.622 27.740 -0.362 0.000 2.052 756 C HN 0.559 nan 8.230 nan 0.000 0.488 757 H N -0.236 118.774 119.070 -0.100 0.000 2.568 757 H HA 0.001 4.559 4.556 0.004 0.000 0.275 757 H C 1.572 176.763 175.328 -0.229 0.000 1.028 757 H CA 1.228 57.187 56.048 -0.149 0.000 1.173 757 H CB -0.239 29.428 29.762 -0.158 0.000 1.335 757 H HN 0.548 nan 8.280 nan 0.000 0.614 758 M N -1.826 117.682 119.600 -0.153 0.000 2.393 758 M HA 0.048 4.530 4.480 0.004 0.000 0.270 758 M C 1.870 178.166 176.300 -0.006 0.000 1.127 758 M CA 0.750 55.956 55.300 -0.156 0.000 1.104 758 M CB 0.199 32.653 32.600 -0.242 0.000 1.523 758 M HN 0.185 nan 8.290 nan 0.000 0.546 759 H N 0.132 119.139 119.070 -0.105 0.000 2.307 759 H HA -0.038 4.520 4.556 0.004 0.000 0.303 759 H C 1.440 176.734 175.328 -0.056 0.000 1.073 759 H CA 1.363 57.368 56.048 -0.072 0.000 1.338 759 H CB 0.397 30.110 29.762 -0.080 0.000 1.389 759 H HN 0.265 nan 8.280 nan 0.000 0.503 760 K N 0.153 120.559 120.400 0.011 0.000 2.103 760 K HA -0.149 4.173 4.320 0.004 0.000 0.204 760 K C 2.154 178.744 176.600 -0.018 0.000 1.052 760 K CA 1.150 57.405 56.287 -0.054 0.000 0.945 760 K CB 0.034 32.509 32.500 -0.043 0.000 0.722 760 K HN 0.226 nan 8.250 nan 0.000 0.443 761 E N 1.837 122.034 120.200 -0.006 0.000 2.038 761 E HA -0.177 4.175 4.350 0.004 0.000 0.195 761 E C 1.731 178.330 176.600 -0.001 0.000 1.000 761 E CA 1.451 57.843 56.400 -0.013 0.000 0.803 761 E CB -0.256 29.421 29.700 -0.039 0.000 0.750 761 E HN 0.250 nan 8.360 nan 0.000 0.448 762 I N -0.026 120.554 120.570 0.015 0.000 2.315 762 I HA -0.220 3.952 4.170 0.004 0.000 0.248 762 I C 2.793 178.924 176.117 0.025 0.000 1.117 762 I CA 1.029 62.347 61.300 0.030 0.000 1.404 762 I CB -0.338 37.695 38.000 0.055 0.000 1.071 762 I HN 0.130 nan 8.210 nan 0.000 0.419 763 R N 0.963 121.474 120.500 0.018 0.000 2.097 763 R HA -0.256 4.086 4.340 0.004 0.000 0.236 763 R C 2.359 178.648 176.300 -0.017 0.000 1.135 763 R CA 2.086 58.178 56.100 -0.014 0.000 0.934 763 R CB -0.268 29.990 30.300 -0.070 0.000 0.846 763 R HN 0.428 nan 8.270 nan 0.000 0.431 764 Q N 0.139 119.929 119.800 -0.018 0.000 2.112 764 Q HA -0.213 4.130 4.340 0.004 0.000 0.206 764 Q C 2.305 178.301 176.000 -0.007 0.000 0.987 764 Q CA 1.772 57.567 55.803 -0.014 0.000 0.858 764 Q CB -0.217 28.513 28.738 -0.012 0.000 0.905 764 Q HN 0.432 nan 8.270 nan 0.000 0.420 765 L N 0.179 121.402 121.223 -0.000 0.000 2.046 765 L HA -0.177 4.165 4.340 0.004 0.000 0.208 765 L C 1.974 178.846 176.870 0.003 0.000 1.077 765 L CA 0.945 55.788 54.840 0.005 0.000 0.747 765 L CB -0.294 41.773 42.059 0.013 0.000 0.896 765 L HN 0.250 nan 8.230 nan 0.000 0.432 766 L N -1.324 119.899 121.223 0.000 0.000 2.627 766 L HA 0.091 4.434 4.340 0.004 0.000 0.232 766 L C 0.973 177.837 176.870 -0.011 0.000 1.150 766 L CA -0.207 54.630 54.840 -0.005 0.000 0.917 766 L CB -0.043 42.013 42.059 -0.006 0.000 1.104 766 L HN 0.114 nan 8.230 nan 0.000 0.445 767 S N 0.000 115.693 115.700 -0.011 0.000 2.498 767 S HA 0.000 4.472 4.470 0.004 0.000 0.327 767 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 767 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 767 S HN 0.000 nan 8.310 nan 0.000 0.517