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 2ipy_1_A DATA FIRST_RESID 2 DATA SEQUENCE SNPFAYLAEP LDPAQPGKKF FNLNKLDYSR YGRLPFSIRV LLEAAVRNCD DATA SEQUENCE KFLVKKEDIE NILNWNVTQH MNIEVPFKPA RVILQDFTGV PSVVDFAAMR DATA SEQUENCE DAVKKLGGDP EKINPICPVD LVIDXXXXXX XXXXXXXXXX XXXXXFERNR DATA SEQUENCE ERFEFLKWGS KAFRNMRIIP PGSGIIHQVN LEYLARVVFD QDGYYYPDSL DATA SEQUENCE VGTDSHTTMI DGLGVLGWGV GGIEAEAVML GQPISMVLPQ VIGYRLMGKP DATA SEQUENCE HPLVTSTDIV LTITKHLRQV GVVGKFVEFF GPGVAQLSIA DRATIANMCP DATA SEQUENCE EYGATATFFP VDEVSIKYLV QTGRDESKVK QIRKYLQAVG MFRDYSDPSQ DATA SEQUENCE DPDFTQVVEL DLKTVVPCCS GPKRPQDKVA VSDMKKDFES CLGAKQGFKG DATA SEQUENCE FQVAPDHHND HKTFIYNDSE FTLSHGSVVI AAITSSTNTS NPSVMLGAGL DATA SEQUENCE LAKKAVDAGL NVKPYVKTSL SPGSGVVTYY LRESGVMPYL SQLGFDVXXX DATA SEQUENCE XXXXXXXXXX PLPEPVVEAI TQGDLVAVGV LSGNRNFEGR VHPNTRANYL DATA SEQUENCE ASPPLVIAYA IAGTIRIDFE KEPLGTNAKG QQVFLRDIWP TREEIQAVER DATA SEQUENCE QYVIPGMFTE VYQKIETVNA SXXXXXXXSD KLYLWNPKST YIKSPPFFEN DATA SEQUENCE LTLDLQPPKS IVDAYVLLNL GDSVTTDHIS PAGNIARNSP AARYLTNRGL DATA SEQUENCE TPREFNSYGS RRGNDAIMAR GTFANIRLLN RFLNKQAPQT IHLPSGETLD DATA SEQUENCE VFDAAERYQQ EGHPLIVLAG KEYGSGSSRD WAAKGPFLLG IKAVLAESYE DATA SEQUENCE RIHRSNLVGM GVIPLEYLPG ENADSLGLTG RERYTIIIPE NLTPRMHVQV DATA SEQUENCE KLDTGKTFQA VIRFDTDVEL TYFHNGGILN YMIRKMAK 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.634 174.600 0.056 0.000 1.055 2 S CA 0.000 58.224 58.200 0.041 0.000 1.107 2 S CB 0.000 63.216 63.200 0.026 0.000 0.593 3 N N 4.751 123.502 118.700 0.084 0.000 2.406 3 N HA 0.352 5.092 4.740 0.001 0.000 0.251 3 N C -1.108 174.462 175.510 0.100 0.000 1.069 3 N CA -1.957 51.166 53.050 0.122 0.000 0.947 3 N CB 1.348 39.945 38.487 0.184 0.000 1.111 3 N HN 0.489 nan 8.380 nan 0.000 0.497 4 P HA -0.091 nan 4.420 nan 0.000 0.222 4 P C 0.208 177.409 177.300 -0.165 0.000 1.147 4 P CA 1.080 64.070 63.100 -0.184 0.000 0.790 4 P CB -0.016 31.429 31.700 -0.426 0.000 0.780 5 F N -0.591 119.480 119.950 0.201 0.000 2.668 5 F HA 0.429 4.956 4.527 0.001 0.000 0.297 5 F C 2.191 178.015 175.800 0.041 0.000 1.124 5 F CA -0.288 57.750 58.000 0.064 0.000 1.353 5 F CB -0.666 38.345 39.000 0.019 0.000 0.992 5 F HN -0.100 nan 8.300 nan 0.000 0.524 6 A N 0.146 123.129 122.820 0.271 0.000 2.019 6 A HA -0.238 4.083 4.320 0.001 0.000 0.219 6 A C 1.883 179.483 177.584 0.027 0.000 1.164 6 A CA 1.534 53.673 52.037 0.170 0.000 0.644 6 A CB -1.294 17.800 19.000 0.157 0.000 0.805 6 A HN 0.685 nan 8.150 nan 0.000 0.449 7 Y N -1.409 118.922 120.300 0.053 0.000 2.651 7 Y HA 0.190 4.740 4.550 0.001 0.000 0.296 7 Y C 1.207 177.101 175.900 -0.010 0.000 1.150 7 Y CA 0.660 58.764 58.100 0.006 0.000 1.348 7 Y CB -0.573 37.897 38.460 0.016 0.000 0.983 7 Y HN 0.151 nan 8.280 nan 0.000 0.555 8 L N 0.629 121.572 121.223 -0.466 0.000 2.607 8 L HA 0.386 4.726 4.340 0.001 0.000 0.228 8 L C 1.022 177.656 176.870 -0.393 0.000 1.123 8 L CA -0.093 54.523 54.840 -0.373 0.000 0.890 8 L CB 0.029 41.916 42.059 -0.285 0.000 1.103 8 L HN 0.294 nan 8.230 nan 0.000 0.468 9 A N 1.734 124.244 122.820 -0.515 0.000 2.391 9 A HA 0.426 4.747 4.320 0.001 0.000 0.316 9 A C 0.139 177.452 177.584 -0.452 0.000 1.381 9 A CA -0.385 51.254 52.037 -0.663 0.000 0.998 9 A CB -0.150 18.355 19.000 -0.825 0.000 1.147 9 A HN 0.367 nan 8.150 nan 0.000 0.545 10 E N 3.275 123.157 120.200 -0.530 0.000 2.339 10 E HA 0.684 5.035 4.350 0.001 0.000 0.262 10 E C -2.986 173.365 176.600 -0.414 0.000 0.934 10 E CA -2.469 53.694 56.400 -0.395 0.000 0.802 10 E CB 1.986 31.483 29.700 -0.338 0.000 1.275 10 E HN 0.327 nan 8.360 nan 0.000 0.427 11 P HA 0.013 nan 4.420 nan 0.000 0.274 11 P C 0.492 177.862 177.300 0.118 0.000 1.231 11 P CA -0.442 62.627 63.100 -0.051 0.000 0.790 11 P CB 1.228 32.915 31.700 -0.023 0.000 0.951 12 L N 1.447 122.888 121.223 0.364 0.000 2.109 12 L HA 0.120 4.460 4.340 0.001 0.000 0.207 12 L C 0.306 177.313 176.870 0.228 0.000 1.086 12 L CA 1.979 57.111 54.840 0.487 0.000 0.760 12 L CB -0.675 41.563 42.059 0.299 0.000 0.910 12 L HN 0.386 nan 8.230 nan 0.000 0.437 13 D N -2.518 117.978 120.400 0.159 0.000 2.863 13 D HA 0.319 4.959 4.640 0.001 0.000 0.245 13 D C -2.120 174.217 176.300 0.062 0.000 1.211 13 D CA -1.895 52.159 54.000 0.090 0.000 0.888 13 D CB 2.037 42.880 40.800 0.073 0.000 1.483 13 D HN -0.215 nan 8.370 nan 0.000 0.533 14 P HA -0.095 nan 4.420 nan 0.000 0.216 14 P C 0.849 178.158 177.300 0.016 0.000 1.150 14 P CA 1.153 64.264 63.100 0.019 0.000 0.843 14 P CB 0.162 31.869 31.700 0.012 0.000 0.787 15 A N -1.278 121.554 122.820 0.020 0.000 2.259 15 A HA -0.125 4.195 4.320 0.001 0.000 0.212 15 A C 0.851 178.446 177.584 0.018 0.000 1.178 15 A CA 1.095 53.142 52.037 0.016 0.000 0.734 15 A CB -0.774 18.235 19.000 0.016 0.000 0.774 15 A HN 0.276 nan 8.150 nan 0.000 0.481 16 Q N -1.000 118.815 119.800 0.025 0.000 3.761 16 Q HA 0.123 4.463 4.340 0.001 0.000 0.206 16 Q C -2.273 173.736 176.000 0.015 0.000 0.900 16 Q CA -1.325 54.493 55.803 0.024 0.000 0.737 16 Q CB 1.638 30.404 28.738 0.047 0.000 1.454 16 Q HN 0.288 nan 8.270 nan 0.000 0.448 17 P HA -0.158 nan 4.420 nan 0.000 0.222 17 P C 1.098 178.365 177.300 -0.054 0.000 1.147 17 P CA 1.162 64.245 63.100 -0.028 0.000 0.790 17 P CB 0.302 31.985 31.700 -0.030 0.000 0.780 18 G N 0.162 108.933 108.800 -0.048 0.000 2.484 18 G HA2 -0.131 3.830 3.960 0.001 0.000 0.218 18 G HA3 -0.131 3.830 3.960 0.001 0.000 0.218 18 G C 0.787 175.614 174.900 -0.122 0.000 1.130 18 G CA 0.139 45.192 45.100 -0.077 0.000 0.784 18 G HN 0.298 nan 8.290 nan 0.000 0.543 19 K N 1.298 121.652 120.400 -0.077 0.000 2.299 19 K HA 0.353 4.674 4.320 0.001 0.000 0.268 19 K C -0.272 176.334 176.600 0.009 0.000 1.075 19 K CA -0.146 56.088 56.287 -0.089 0.000 0.936 19 K CB 1.243 33.745 32.500 0.003 0.000 1.228 19 K HN 0.124 nan 8.250 nan 0.000 0.454 20 K N 2.024 122.311 120.400 -0.188 0.000 2.280 20 K HA 0.582 4.902 4.320 0.001 0.000 0.234 20 K C -0.562 176.108 176.600 0.117 0.000 1.028 20 K CA -0.974 55.204 56.287 -0.180 0.000 0.882 20 K CB 1.141 33.330 32.500 -0.518 0.000 1.194 20 K HN 0.377 nan 8.250 nan 0.000 0.458 21 F N -1.648 118.355 119.950 0.089 0.000 2.650 21 F HA 0.430 4.958 4.527 0.001 0.000 0.310 21 F C -1.462 174.472 175.800 0.223 0.000 1.112 21 F CA -1.375 56.836 58.000 0.350 0.000 0.986 21 F CB 0.471 39.785 39.000 0.522 0.000 1.285 21 F HN 0.224 nan 8.300 nan 0.000 0.440 22 F N 2.985 123.183 119.950 0.415 0.000 2.490 22 F HA 0.185 4.712 4.527 0.001 0.000 0.357 22 F C 1.105 177.042 175.800 0.229 0.000 1.166 22 F CA -0.049 58.059 58.000 0.180 0.000 1.116 22 F CB -0.070 39.014 39.000 0.140 0.000 1.171 22 F HN 0.561 nan 8.300 nan 0.000 0.576 23 N N 4.258 123.005 118.700 0.079 0.000 2.543 23 N HA -0.046 4.695 4.740 0.001 0.000 0.289 23 N C 1.141 176.682 175.510 0.052 0.000 1.223 23 N CA 0.116 53.278 53.050 0.187 0.000 1.080 23 N CB 0.100 38.578 38.487 -0.016 0.000 1.450 23 N HN 0.491 nan 8.380 nan 0.000 0.501 24 L N 2.666 123.885 121.223 -0.007 0.000 2.129 24 L HA -0.177 4.163 4.340 0.001 0.000 0.212 24 L C 1.966 178.528 176.870 -0.514 0.000 1.087 24 L CA 1.175 55.812 54.840 -0.338 0.000 0.757 24 L CB -0.709 40.999 42.059 -0.585 0.000 0.896 24 L HN 0.537 nan 8.230 nan 0.000 0.434 25 N N -0.102 118.397 118.700 -0.336 0.000 2.091 25 N HA -0.239 4.502 4.740 0.001 0.000 0.193 25 N C 1.691 177.218 175.510 0.029 0.000 1.021 25 N CA 1.423 54.425 53.050 -0.080 0.000 0.862 25 N CB -0.124 38.431 38.487 0.113 0.000 1.018 25 N HN 0.487 nan 8.380 nan 0.000 0.429 26 K N 0.419 120.821 120.400 0.004 0.000 2.217 26 K HA -0.046 4.275 4.320 0.001 0.000 0.202 26 K C 1.907 178.560 176.600 0.089 0.000 1.051 26 K CA 0.130 56.450 56.287 0.055 0.000 0.952 26 K CB -0.153 32.381 32.500 0.055 0.000 0.736 26 K HN 0.021 nan 8.250 nan 0.000 0.453 27 L N 1.795 123.036 121.223 0.030 0.000 1.978 27 L HA -0.197 4.143 4.340 0.001 0.000 0.218 27 L C 0.217 177.162 176.870 0.124 0.000 1.075 27 L CA 2.063 56.953 54.840 0.084 0.000 0.767 27 L CB -0.133 41.912 42.059 -0.022 0.000 0.890 27 L HN 0.181 nan 8.230 nan 0.000 0.434 28 D N -3.382 117.079 120.400 0.101 0.000 2.684 28 D HA -0.036 4.605 4.640 0.001 0.000 0.233 28 D C 0.478 176.886 176.300 0.180 0.000 1.374 28 D CA -0.368 53.716 54.000 0.140 0.000 0.906 28 D CB -0.717 40.157 40.800 0.123 0.000 1.526 28 D HN 0.233 nan 8.370 nan 0.000 0.518 29 Y N 2.060 122.402 120.300 0.070 0.000 2.228 29 Y HA -0.271 4.279 4.550 0.001 0.000 0.285 29 Y C 2.192 178.158 175.900 0.109 0.000 1.178 29 Y CA 2.450 60.610 58.100 0.101 0.000 1.202 29 Y CB 0.194 38.697 38.460 0.071 0.000 0.974 29 Y HN 0.387 nan 8.280 nan 0.000 0.527 30 S N 0.018 115.809 115.700 0.151 0.000 2.351 30 S HA -0.245 4.225 4.470 0.001 0.000 0.220 30 S C 2.076 176.666 174.600 -0.016 0.000 1.035 30 S CA 1.869 60.104 58.200 0.059 0.000 1.031 30 S CB -0.247 63.006 63.200 0.088 0.000 0.928 30 S HN 0.556 nan 8.310 nan 0.000 0.433 31 R N -1.453 119.064 120.500 0.029 0.000 2.153 31 R HA 0.032 4.373 4.340 0.001 0.000 0.218 31 R C 2.219 178.511 176.300 -0.014 0.000 1.072 31 R CA 1.079 57.190 56.100 0.018 0.000 0.990 31 R CB -0.401 29.935 30.300 0.059 0.000 0.889 31 R HN 0.570 nan 8.270 nan 0.000 0.452 32 Y N 0.855 121.070 120.300 -0.143 0.000 2.163 32 Y HA -0.060 4.490 4.550 0.001 0.000 0.288 32 Y C 2.237 177.952 175.900 -0.308 0.000 1.136 32 Y CA 1.640 59.622 58.100 -0.197 0.000 1.147 32 Y CB -0.567 37.802 38.460 -0.151 0.000 0.987 32 Y HN 0.018 nan 8.280 nan 0.000 0.509 33 G N -0.104 108.455 108.800 -0.401 0.000 2.586 33 G HA2 -0.157 3.804 3.960 0.001 0.000 0.215 33 G HA3 -0.157 3.804 3.960 0.001 0.000 0.215 33 G C 1.640 176.308 174.900 -0.387 0.000 1.128 33 G CA 0.373 45.171 45.100 -0.503 0.000 0.774 33 G HN 0.287 nan 8.290 nan 0.000 0.543 34 R N -0.750 119.558 120.500 -0.319 0.000 2.282 34 R HA 0.252 4.593 4.340 0.001 0.000 0.195 34 R C 0.658 176.770 176.300 -0.314 0.000 0.909 34 R CA -0.270 55.681 56.100 -0.248 0.000 1.039 34 R CB -0.034 30.189 30.300 -0.127 0.000 1.015 34 R HN 0.299 nan 8.270 nan 0.000 0.513 35 L N 3.149 124.134 121.223 -0.396 0.000 2.456 35 L HA 0.148 4.489 4.340 0.001 0.000 0.272 35 L C -2.099 174.402 176.870 -0.615 0.000 1.189 35 L CA -1.754 52.784 54.840 -0.502 0.000 0.846 35 L CB 0.102 41.872 42.059 -0.481 0.000 1.111 35 L HN -0.297 nan 8.230 nan 0.000 0.475 36 P HA 0.010 nan 4.420 nan 0.000 0.267 36 P C 0.248 177.409 177.300 -0.232 0.000 1.205 36 P CA -0.093 62.705 63.100 -0.504 0.000 0.765 36 P CB 0.332 31.687 31.700 -0.575 0.000 0.828 37 F N 1.525 121.342 119.950 -0.221 0.000 2.184 37 F HA -0.271 4.256 4.527 0.001 0.000 0.301 37 F C 2.466 178.177 175.800 -0.148 0.000 1.076 37 F CA 2.244 60.188 58.000 -0.092 0.000 1.295 37 F CB -1.567 37.509 39.000 0.127 0.000 1.026 37 F HN 0.305 nan 8.300 nan 0.000 0.494 38 S N 0.138 115.802 115.700 -0.059 0.000 2.368 38 S HA -0.173 4.298 4.470 0.001 0.000 0.225 38 S C 2.026 176.456 174.600 -0.283 0.000 1.030 38 S CA 1.310 59.204 58.200 -0.510 0.000 0.999 38 S CB -0.795 62.201 63.200 -0.340 0.000 0.844 38 S HN 0.273 nan 8.310 nan 0.000 0.459 39 I N 2.602 123.007 120.570 -0.276 0.000 2.394 39 I HA -0.053 4.117 4.170 0.001 0.000 0.251 39 I C 2.681 178.666 176.117 -0.221 0.000 1.136 39 I CA 0.985 62.099 61.300 -0.309 0.000 1.425 39 I CB -1.220 36.406 38.000 -0.623 0.000 1.079 39 I HN 0.382 nan 8.210 nan 0.000 0.425 40 R N 0.252 120.604 120.500 -0.247 0.000 2.120 40 R HA -0.088 4.252 4.340 0.001 0.000 0.234 40 R C 2.319 178.608 176.300 -0.019 0.000 1.123 40 R CA 0.925 56.937 56.100 -0.147 0.000 0.975 40 R CB -0.463 29.665 30.300 -0.287 0.000 0.866 40 R HN 0.202 nan 8.270 nan 0.000 0.446 41 V N 1.669 121.553 119.914 -0.050 0.000 2.358 41 V HA -0.209 3.911 4.120 0.001 0.000 0.246 41 V C 2.340 178.461 176.094 0.046 0.000 1.047 41 V CA 1.584 63.900 62.300 0.026 0.000 1.035 41 V CB -0.394 31.403 31.823 -0.044 0.000 0.658 41 V HN 0.269 nan 8.190 nan 0.000 0.452 42 L N -0.942 120.269 121.223 -0.020 0.000 2.046 42 L HA -0.192 4.148 4.340 0.001 0.000 0.208 42 L C 2.446 179.336 176.870 0.033 0.000 1.077 42 L CA 1.192 56.046 54.840 0.023 0.000 0.747 42 L CB -0.601 41.441 42.059 -0.028 0.000 0.896 42 L HN 0.341 nan 8.230 nan 0.000 0.432 43 L N 0.224 121.447 121.223 -0.000 0.000 1.943 43 L HA -0.267 4.073 4.340 0.001 0.000 0.215 43 L C 2.652 179.500 176.870 -0.036 0.000 1.074 43 L CA 1.987 56.819 54.840 -0.013 0.000 0.759 43 L CB -0.982 41.093 42.059 0.027 0.000 0.888 43 L HN 0.262 nan 8.230 nan 0.000 0.433 44 E N -0.086 120.126 120.200 0.021 0.000 2.136 44 E HA -0.307 4.043 4.350 0.001 0.000 0.202 44 E C 1.947 178.498 176.600 -0.082 0.000 1.019 44 E CA 1.826 58.233 56.400 0.013 0.000 0.819 44 E CB -0.304 29.492 29.700 0.160 0.000 0.739 44 E HN 0.619 nan 8.360 nan 0.000 0.458 45 A N 0.984 123.791 122.820 -0.022 0.000 1.902 45 A HA -0.075 4.245 4.320 0.001 0.000 0.217 45 A C 2.464 179.955 177.584 -0.155 0.000 1.181 45 A CA 2.502 54.495 52.037 -0.074 0.000 0.623 45 A CB -0.746 18.296 19.000 0.071 0.000 0.818 45 A HN 0.400 nan 8.150 nan 0.000 0.443 46 A N -0.762 121.992 122.820 -0.109 0.000 1.872 46 A HA 0.084 4.405 4.320 0.001 0.000 0.214 46 A C 2.236 179.681 177.584 -0.232 0.000 1.187 46 A CA 1.536 53.496 52.037 -0.129 0.000 0.614 46 A CB -0.972 17.982 19.000 -0.077 0.000 0.826 46 A HN 0.338 nan 8.150 nan 0.000 0.442 47 V N 0.372 120.087 119.914 -0.332 0.000 2.231 47 V HA -0.316 3.805 4.120 0.001 0.000 0.248 47 V C 2.700 178.430 176.094 -0.607 0.000 1.054 47 V CA 2.533 64.535 62.300 -0.498 0.000 1.015 47 V CB -0.739 30.797 31.823 -0.480 0.000 0.638 47 V HN 0.720 nan 8.190 nan 0.000 0.444 48 R N 0.139 120.086 120.500 -0.921 0.000 2.200 48 R HA -0.130 4.211 4.340 0.001 0.000 0.234 48 R C 1.348 177.238 176.300 -0.683 0.000 1.127 48 R CA 1.588 56.842 56.100 -1.409 0.000 0.989 48 R CB -0.142 29.478 30.300 -1.134 0.000 0.869 48 R HN 0.540 nan 8.270 nan 0.000 0.459 49 N N -0.172 118.277 118.700 -0.418 0.000 2.238 49 N HA 0.008 4.748 4.740 0.001 0.000 0.222 49 N C -0.713 174.731 175.510 -0.111 0.000 1.133 49 N CA -0.064 52.838 53.050 -0.247 0.000 0.854 49 N CB 0.317 38.668 38.487 -0.227 0.000 1.041 49 N HN 0.123 nan 8.380 nan 0.000 0.510 50 C N 2.818 122.082 119.300 -0.060 0.000 2.633 50 C HA 0.033 4.494 4.460 0.001 0.000 0.415 50 C C 0.982 176.023 174.990 0.085 0.000 1.393 50 C CA 0.042 59.108 59.018 0.080 0.000 1.700 50 C CB -0.555 27.359 27.740 0.290 0.000 2.541 50 C HN 0.464 nan 8.230 nan 0.000 0.603 51 D N 2.473 122.930 120.400 0.095 0.000 2.594 51 D HA 0.048 4.688 4.640 0.001 0.000 0.256 51 D C 0.478 176.865 176.300 0.145 0.000 1.393 51 D CA -0.266 53.800 54.000 0.110 0.000 0.797 51 D CB -0.510 40.364 40.800 0.122 0.000 1.110 51 D HN 0.769 nan 8.370 nan 0.000 0.495 52 K N -0.402 120.079 120.400 0.135 0.000 3.020 52 K HA -0.257 4.064 4.320 0.001 0.000 0.266 52 K C -0.211 176.529 176.600 0.234 0.000 1.067 52 K CA 1.182 57.551 56.287 0.137 0.000 0.780 52 K CB -1.694 30.862 32.500 0.092 0.000 1.220 52 K HN 0.474 nan 8.250 nan 0.000 0.483 53 F N -1.604 118.355 119.950 0.015 0.000 1.855 53 F HA 0.177 4.704 4.527 0.001 0.000 0.229 53 F C 1.210 177.000 175.800 -0.016 0.000 1.260 53 F CA -0.528 57.470 58.000 -0.003 0.000 1.277 53 F CB 0.015 39.022 39.000 0.011 0.000 1.975 53 F HN -0.119 nan 8.300 nan 0.000 0.155 54 L N 1.213 122.344 121.223 -0.153 0.000 2.083 54 L HA 0.009 4.350 4.340 0.001 0.000 0.209 54 L C -0.250 176.547 176.870 -0.123 0.000 1.083 54 L CA 0.699 55.385 54.840 -0.257 0.000 0.752 54 L CB -0.115 41.899 42.059 -0.074 0.000 0.899 54 L HN 0.016 nan 8.230 nan 0.000 0.433 55 V N 0.341 120.240 119.914 -0.025 0.000 2.482 55 V HA 0.255 4.375 4.120 0.001 0.000 0.295 55 V C -0.366 175.761 176.094 0.055 0.000 1.026 55 V CA -0.851 61.450 62.300 0.000 0.000 0.856 55 V CB 1.733 33.551 31.823 -0.007 0.000 1.001 55 V HN 0.112 nan 8.190 nan 0.000 0.424 56 K N 2.452 122.887 120.400 0.058 0.000 2.168 56 K HA 0.470 4.790 4.320 0.001 0.000 0.239 56 K C 1.027 177.717 176.600 0.152 0.000 0.999 56 K CA -0.836 55.510 56.287 0.098 0.000 0.900 56 K CB 1.718 34.259 32.500 0.069 0.000 1.111 56 K HN 0.498 nan 8.250 nan 0.000 0.452 57 K N 1.442 121.954 120.400 0.187 0.000 2.147 57 K HA -0.196 4.124 4.320 0.001 0.000 0.205 57 K C 1.024 177.755 176.600 0.218 0.000 1.049 57 K CA 1.737 58.205 56.287 0.301 0.000 0.936 57 K CB 0.138 32.753 32.500 0.192 0.000 0.722 57 K HN 0.521 nan 8.250 nan 0.000 0.446 58 E N 0.869 121.146 120.200 0.129 0.000 2.097 58 E HA -0.219 4.132 4.350 0.001 0.000 0.196 58 E C 1.697 178.345 176.600 0.080 0.000 1.000 58 E CA 1.640 58.096 56.400 0.092 0.000 0.804 58 E CB -0.101 29.635 29.700 0.060 0.000 0.740 58 E HN 0.403 nan 8.360 nan 0.000 0.454 59 D N 0.705 121.148 120.400 0.071 0.000 2.084 59 D HA -0.154 4.487 4.640 0.001 0.000 0.194 59 D C 2.001 178.323 176.300 0.035 0.000 0.990 59 D CA 0.943 54.970 54.000 0.046 0.000 0.826 59 D CB -0.326 40.494 40.800 0.034 0.000 0.971 59 D HN 0.100 nan 8.370 nan 0.000 0.453 60 I N 1.039 121.626 120.570 0.030 0.000 2.151 60 I HA -0.261 3.910 4.170 0.001 0.000 0.243 60 I C 2.327 178.441 176.117 -0.004 0.000 1.080 60 I CA 1.215 62.477 61.300 -0.063 0.000 1.339 60 I CB -0.419 37.425 38.000 -0.260 0.000 1.039 60 I HN -0.073 nan 8.210 nan 0.000 0.409 61 E N 0.792 121.037 120.200 0.075 0.000 2.077 61 E HA -0.214 4.137 4.350 0.001 0.000 0.193 61 E C 1.954 178.591 176.600 0.062 0.000 0.989 61 E CA 1.491 57.943 56.400 0.087 0.000 0.800 61 E CB -0.222 29.546 29.700 0.114 0.000 0.746 61 E HN 0.409 nan 8.360 nan 0.000 0.452 62 N N 0.179 118.910 118.700 0.052 0.000 2.058 62 N HA -0.129 4.611 4.740 0.001 0.000 0.191 62 N C 2.015 177.558 175.510 0.056 0.000 1.037 62 N CA 1.490 54.566 53.050 0.042 0.000 0.848 62 N CB -0.353 38.153 38.487 0.031 0.000 1.021 62 N HN 0.275 nan 8.380 nan 0.000 0.422 63 I N 0.719 121.321 120.570 0.053 0.000 2.163 63 I HA -0.263 3.907 4.170 0.001 0.000 0.243 63 I C 2.236 178.412 176.117 0.098 0.000 1.085 63 I CA 0.758 62.101 61.300 0.072 0.000 1.347 63 I CB -0.221 37.795 38.000 0.027 0.000 1.044 63 I HN 0.080 nan 8.210 nan 0.000 0.408 64 L N 1.032 122.295 121.223 0.067 0.000 2.083 64 L HA -0.169 4.171 4.340 0.001 0.000 0.209 64 L C 1.555 178.490 176.870 0.109 0.000 1.083 64 L CA 1.870 56.759 54.840 0.082 0.000 0.752 64 L CB -0.848 41.250 42.059 0.065 0.000 0.899 64 L HN 0.181 nan 8.230 nan 0.000 0.433 65 N N -0.956 117.799 118.700 0.092 0.000 2.484 65 N HA -0.088 4.653 4.740 0.001 0.000 0.245 65 N C 0.996 176.544 175.510 0.064 0.000 1.184 65 N CA -0.036 53.056 53.050 0.070 0.000 0.884 65 N CB -0.502 38.008 38.487 0.038 0.000 1.182 65 N HN 0.493 nan 8.380 nan 0.000 0.493 66 W N 0.837 122.096 121.300 -0.068 0.000 2.318 66 W HA -0.223 4.438 4.660 0.001 0.000 0.313 66 W C 1.741 178.189 176.519 -0.119 0.000 1.221 66 W CA 1.796 59.079 57.345 -0.104 0.000 1.266 66 W CB -0.610 28.777 29.460 -0.121 0.000 1.150 66 W HN 0.324 nan 8.180 nan 0.000 0.496 67 N N -0.847 117.789 118.700 -0.107 0.000 2.258 67 N HA -0.227 4.514 4.740 0.001 0.000 0.187 67 N C 1.408 176.690 175.510 -0.380 0.000 1.012 67 N CA 1.841 54.665 53.050 -0.377 0.000 0.870 67 N CB -0.135 38.334 38.487 -0.030 0.000 0.977 67 N HN 0.136 nan 8.380 nan 0.000 0.434 68 V N -0.607 119.168 119.914 -0.232 0.000 2.581 68 V HA -0.079 4.042 4.120 0.001 0.000 0.240 68 V C 2.295 178.281 176.094 -0.179 0.000 1.054 68 V CA 1.744 63.964 62.300 -0.135 0.000 1.076 68 V CB -0.204 31.584 31.823 -0.059 0.000 0.748 68 V HN 0.521 nan 8.190 nan 0.000 0.474 69 T N -0.014 114.415 114.554 -0.208 0.000 3.035 69 T HA -0.223 4.128 4.350 0.001 0.000 0.268 69 T C 1.676 176.196 174.700 -0.300 0.000 1.109 69 T CA 1.334 63.324 62.100 -0.182 0.000 1.119 69 T CB -0.427 68.382 68.868 -0.098 0.000 0.900 69 T HN 0.713 nan 8.240 nan 0.000 0.503 70 Q N 0.185 119.616 119.800 -0.615 0.000 2.364 70 Q HA -0.155 4.186 4.340 0.001 0.000 0.209 70 Q C 1.439 177.079 176.000 -0.600 0.000 0.977 70 Q CA 1.220 56.574 55.803 -0.748 0.000 0.885 70 Q CB -0.489 27.430 28.738 -1.365 0.000 0.941 70 Q HN 0.602 nan 8.270 nan 0.000 0.464 71 H N -0.595 118.319 119.070 -0.261 0.000 2.586 71 H HA 0.293 4.850 4.556 0.001 0.000 0.273 71 H C 0.808 176.064 175.328 -0.119 0.000 0.997 71 H CA 0.303 56.246 56.048 -0.175 0.000 1.177 71 H CB 0.472 30.132 29.762 -0.170 0.000 1.471 71 H HN 0.348 nan 8.280 nan 0.000 0.538 72 M N -0.244 119.340 119.600 -0.027 0.000 2.371 72 M HA 0.094 4.575 4.480 0.001 0.000 0.246 72 M C -0.134 176.148 176.300 -0.030 0.000 1.103 72 M CA -0.085 55.202 55.300 -0.022 0.000 1.010 72 M CB 0.234 32.818 32.600 -0.027 0.000 1.457 72 M HN -0.089 nan 8.290 nan 0.000 0.486 73 N N 2.539 121.210 118.700 -0.048 0.000 2.696 73 N HA -0.141 4.599 4.740 0.001 0.000 0.256 73 N C -0.838 174.653 175.510 -0.032 0.000 1.031 73 N CA 0.547 53.572 53.050 -0.042 0.000 0.730 73 N CB -1.074 37.399 38.487 -0.024 0.000 0.894 73 N HN 0.649 nan 8.380 nan 0.000 0.544 74 I N -3.083 117.465 120.570 -0.038 0.000 2.577 74 I HA 0.477 4.647 4.170 0.001 0.000 0.305 74 I C 0.304 176.413 176.117 -0.013 0.000 0.986 74 I CA -0.845 60.442 61.300 -0.020 0.000 1.189 74 I CB 1.621 39.611 38.000 -0.017 0.000 1.355 74 I HN -0.036 nan 8.210 nan 0.000 0.476 75 E N 4.297 124.497 120.200 -0.001 0.000 2.283 75 E HA 0.461 4.812 4.350 0.001 0.000 0.278 75 E C -0.635 175.976 176.600 0.017 0.000 1.027 75 E CA -0.629 55.778 56.400 0.010 0.000 0.843 75 E CB 2.204 31.912 29.700 0.014 0.000 1.062 75 E HN 0.598 nan 8.360 nan 0.000 0.401 76 V N 0.466 120.400 119.914 0.033 0.000 3.074 76 V HA 0.720 4.841 4.120 0.001 0.000 0.314 76 V C -2.731 173.406 176.094 0.071 0.000 1.117 76 V CA -2.541 59.784 62.300 0.042 0.000 1.014 76 V CB 2.116 33.964 31.823 0.042 0.000 1.057 76 V HN 0.518 nan 8.190 nan 0.000 0.438 77 P HA 0.395 nan 4.420 nan 0.000 0.292 77 P C -1.582 175.830 177.300 0.188 0.000 1.283 77 P CA -0.202 62.955 63.100 0.094 0.000 0.835 77 P CB 1.588 33.307 31.700 0.031 0.000 1.017 78 F N 3.586 123.553 119.950 0.028 0.000 2.375 78 F HA 0.472 5.000 4.527 0.001 0.000 0.361 78 F C -0.100 175.679 175.800 -0.035 0.000 1.117 78 F CA -1.711 56.303 58.000 0.023 0.000 1.037 78 F CB 1.310 40.365 39.000 0.092 0.000 1.192 78 F HN 0.142 nan 8.300 nan 0.000 0.452 79 K N 9.032 129.318 120.400 -0.189 0.000 2.356 79 K HA 0.408 4.729 4.320 0.001 0.000 0.243 79 K C -2.606 173.643 176.600 -0.584 0.000 1.072 79 K CA -2.145 53.910 56.287 -0.387 0.000 1.014 79 K CB 0.430 32.803 32.500 -0.212 0.000 1.523 79 K HN 0.313 nan 8.250 nan 0.000 0.455 80 P HA -0.017 nan 4.420 nan 0.000 0.270 80 P C 0.065 177.159 177.300 -0.344 0.000 1.223 80 P CA -0.002 62.653 63.100 -0.743 0.000 0.785 80 P CB 1.435 32.608 31.700 -0.880 0.000 0.923 81 A N 3.026 125.748 122.820 -0.163 0.000 1.969 81 A HA -0.078 4.242 4.320 0.001 0.000 0.218 81 A C 1.236 178.720 177.584 -0.165 0.000 1.169 81 A CA 1.170 53.096 52.037 -0.185 0.000 0.635 81 A CB -0.403 18.544 19.000 -0.088 0.000 0.810 81 A HN 0.755 nan 8.150 nan 0.000 0.445 82 R N -3.306 117.167 120.500 -0.045 0.000 2.766 82 R HA 0.716 5.056 4.340 0.001 0.000 0.270 82 R C -1.951 174.327 176.300 -0.038 0.000 1.035 82 R CA -0.750 55.352 56.100 0.003 0.000 0.911 82 R CB 1.182 31.583 30.300 0.169 0.000 1.243 82 R HN -0.062 nan 8.270 nan 0.000 0.460 83 V N 1.231 121.129 119.914 -0.028 0.000 2.876 83 V HA 0.544 4.665 4.120 0.001 0.000 0.312 83 V C -0.519 175.573 176.094 -0.002 0.000 1.085 83 V CA -0.810 61.468 62.300 -0.036 0.000 0.945 83 V CB 2.107 33.895 31.823 -0.058 0.000 1.017 83 V HN 0.573 nan 8.190 nan 0.000 0.428 84 I N 4.606 125.184 120.570 0.013 0.000 2.436 84 I HA 0.470 4.641 4.170 0.001 0.000 0.289 84 I C -1.006 175.139 176.117 0.046 0.000 1.010 84 I CA -0.484 60.840 61.300 0.039 0.000 1.098 84 I CB 1.794 39.831 38.000 0.061 0.000 1.266 84 I HN 0.328 nan 8.210 nan 0.000 0.434 85 L N 6.138 127.391 121.223 0.049 0.000 2.318 85 L HA 0.383 4.723 4.340 0.001 0.000 0.277 85 L C -0.125 176.780 176.870 0.058 0.000 1.008 85 L CA -0.786 54.088 54.840 0.057 0.000 0.846 85 L CB 1.122 43.216 42.059 0.059 0.000 1.220 85 L HN 0.508 nan 8.230 nan 0.000 0.423 86 Q N 3.156 122.991 119.800 0.060 0.000 2.300 86 Q HA 0.023 4.363 4.340 0.001 0.000 0.280 86 Q C 0.306 176.292 176.000 -0.023 0.000 1.033 86 Q CA 0.728 56.552 55.803 0.035 0.000 0.903 86 Q CB 0.830 29.590 28.738 0.037 0.000 1.195 86 Q HN 0.649 nan 8.270 nan 0.000 0.386 87 D N 1.287 121.615 120.400 -0.120 0.000 3.927 87 D HA -0.333 4.307 4.640 0.001 0.000 0.142 87 D C 0.376 176.429 176.300 -0.412 0.000 0.830 87 D CA 1.830 55.614 54.000 -0.360 0.000 1.091 87 D CB -0.853 39.794 40.800 -0.254 0.000 0.495 87 D HN 0.620 nan 8.370 nan 0.000 0.489 88 F N 0.693 120.720 119.950 0.128 0.000 2.684 88 F HA 0.197 4.724 4.527 0.001 0.000 0.298 88 F C 2.036 177.929 175.800 0.154 0.000 1.120 88 F CA 0.608 58.701 58.000 0.155 0.000 1.332 88 F CB -0.116 38.980 39.000 0.161 0.000 0.986 88 F HN 0.174 nan 8.300 nan 0.000 0.524 89 T N -3.565 111.122 114.554 0.221 0.000 3.035 89 T HA -0.018 4.333 4.350 0.001 0.000 0.268 89 T C 2.056 176.870 174.700 0.190 0.000 1.109 89 T CA 1.126 63.340 62.100 0.190 0.000 1.119 89 T CB -0.263 68.681 68.868 0.126 0.000 0.900 89 T HN 0.334 nan 8.240 nan 0.000 0.503 90 G N 0.347 109.268 108.800 0.202 0.000 3.088 90 G HA2 0.269 4.230 3.960 0.001 0.000 0.217 90 G HA3 0.269 4.230 3.960 0.001 0.000 0.217 90 G C 1.270 176.335 174.900 0.275 0.000 1.159 90 G CA 0.020 45.236 45.100 0.193 0.000 0.760 90 G HN 0.424 nan 8.290 nan 0.000 0.550 91 V N 2.335 122.454 119.914 0.341 0.000 2.261 91 V HA -0.100 4.020 4.120 0.001 0.000 0.246 91 V C 0.632 176.956 176.094 0.383 0.000 1.047 91 V CA 2.352 64.906 62.300 0.424 0.000 1.015 91 V CB -0.628 31.411 31.823 0.359 0.000 0.642 91 V HN 0.303 nan 8.190 nan 0.000 0.446 92 P HA -0.107 nan 4.420 nan 0.000 0.220 92 P C 1.889 179.339 177.300 0.251 0.000 1.148 92 P CA 1.559 64.830 63.100 0.285 0.000 0.803 92 P CB 0.112 31.973 31.700 0.268 0.000 0.782 93 S N -0.503 115.344 115.700 0.245 0.000 2.357 93 S HA -0.047 4.423 4.470 0.001 0.000 0.221 93 S C 1.965 176.785 174.600 0.367 0.000 1.031 93 S CA 0.846 59.193 58.200 0.245 0.000 0.982 93 S CB -0.859 62.455 63.200 0.190 0.000 0.853 93 S HN -0.101 nan 8.310 nan 0.000 0.458 94 V N 1.512 121.645 119.914 0.366 0.000 2.515 94 V HA -0.083 4.037 4.120 0.001 0.000 0.250 94 V C 2.294 178.773 176.094 0.641 0.000 1.058 94 V CA 1.308 63.836 62.300 0.379 0.000 1.064 94 V CB -0.529 31.454 31.823 0.266 0.000 0.675 94 V HN 0.347 nan 8.190 nan 0.000 0.461 95 V N 0.164 120.486 119.914 0.680 0.000 2.358 95 V HA -0.225 3.895 4.120 0.001 0.000 0.246 95 V C 2.243 178.679 176.094 0.570 0.000 1.047 95 V CA 2.099 64.786 62.300 0.645 0.000 1.035 95 V CB -0.602 31.447 31.823 0.376 0.000 0.658 95 V HN 0.553 nan 8.190 nan 0.000 0.452 96 D N -0.474 120.171 120.400 0.409 0.000 2.144 96 D HA -0.123 4.518 4.640 0.001 0.000 0.200 96 D C 1.957 178.405 176.300 0.246 0.000 0.978 96 D CA 1.248 55.433 54.000 0.309 0.000 0.833 96 D CB -0.230 40.621 40.800 0.086 0.000 0.961 96 D HN 0.440 nan 8.370 nan 0.000 0.470 97 F N 1.242 121.344 119.950 0.252 0.000 2.206 97 F HA 0.021 4.549 4.527 0.001 0.000 0.298 97 F C 2.443 178.507 175.800 0.441 0.000 1.090 97 F CA 0.746 58.850 58.000 0.172 0.000 1.323 97 F CB -0.390 38.465 39.000 -0.243 0.000 1.028 97 F HN -0.099 nan 8.300 nan 0.000 0.492 98 A N 0.009 123.299 122.820 0.785 0.000 1.902 98 A HA -0.101 4.220 4.320 0.001 0.000 0.217 98 A C 2.380 180.411 177.584 0.745 0.000 1.181 98 A CA 1.740 54.280 52.037 0.839 0.000 0.623 98 A CB -1.307 18.097 19.000 0.674 0.000 0.818 98 A HN 0.290 nan 8.150 nan 0.000 0.443 99 A N -1.132 122.147 122.820 0.764 0.000 2.019 99 A HA -0.058 4.263 4.320 0.001 0.000 0.219 99 A C 2.195 180.031 177.584 0.419 0.000 1.164 99 A CA 1.733 54.176 52.037 0.678 0.000 0.644 99 A CB -0.459 18.948 19.000 0.678 0.000 0.805 99 A HN 0.539 nan 8.150 nan 0.000 0.449 100 M N -1.446 118.302 119.600 0.248 0.000 2.200 100 M HA -0.062 4.418 4.480 0.001 0.000 0.265 100 M C 2.351 178.666 176.300 0.026 0.000 1.066 100 M CA 1.087 56.318 55.300 -0.116 0.000 1.127 100 M CB -0.111 32.409 32.600 -0.133 0.000 1.379 100 M HN 0.350 nan 8.290 nan 0.000 0.420 101 R N 0.203 120.842 120.500 0.231 0.000 2.081 101 R HA -0.154 4.187 4.340 0.001 0.000 0.235 101 R C 1.655 178.066 176.300 0.186 0.000 1.131 101 R CA 1.528 57.763 56.100 0.226 0.000 0.960 101 R CB -0.446 30.047 30.300 0.321 0.000 0.856 101 R HN 0.361 nan 8.270 nan 0.000 0.436 102 D N 0.521 121.077 120.400 0.259 0.000 2.092 102 D HA -0.151 4.489 4.640 0.001 0.000 0.193 102 D C 1.820 178.198 176.300 0.131 0.000 0.994 102 D CA 1.628 55.772 54.000 0.241 0.000 0.828 102 D CB -0.374 40.641 40.800 0.358 0.000 0.963 102 D HN 0.227 nan 8.370 nan 0.000 0.450 103 A N 0.551 123.405 122.820 0.056 0.000 1.917 103 A HA -0.177 4.143 4.320 0.001 0.000 0.219 103 A C 2.484 180.043 177.584 -0.041 0.000 1.182 103 A CA 1.533 53.539 52.037 -0.051 0.000 0.633 103 A CB -0.743 18.037 19.000 -0.366 0.000 0.819 103 A HN 0.186 nan 8.150 nan 0.000 0.448 104 V N -0.210 119.684 119.914 -0.033 0.000 2.809 104 V HA -0.163 3.957 4.120 0.001 0.000 0.256 104 V C 2.423 178.528 176.094 0.019 0.000 1.080 104 V CA 2.174 64.465 62.300 -0.015 0.000 1.102 104 V CB -0.546 31.274 31.823 -0.006 0.000 0.705 104 V HN 0.627 nan 8.190 nan 0.000 0.475 105 K N 1.556 121.983 120.400 0.046 0.000 1.984 105 K HA -0.154 4.167 4.320 0.001 0.000 0.209 105 K C 2.123 178.750 176.600 0.045 0.000 1.046 105 K CA 1.680 58.000 56.287 0.055 0.000 0.934 105 K CB -0.438 32.111 32.500 0.083 0.000 0.717 105 K HN 0.249 nan 8.250 nan 0.000 0.438 106 K N 0.120 120.551 120.400 0.052 0.000 2.442 106 K HA -0.048 4.272 4.320 0.001 0.000 0.199 106 K C 0.927 177.546 176.600 0.031 0.000 1.044 106 K CA 0.844 57.159 56.287 0.046 0.000 0.941 106 K CB 0.013 32.547 32.500 0.057 0.000 0.759 106 K HN 0.226 nan 8.250 nan 0.000 0.472 107 L N -0.370 120.866 121.223 0.021 0.000 2.667 107 L HA 0.170 4.510 4.340 0.001 0.000 0.232 107 L C 0.723 177.599 176.870 0.010 0.000 1.138 107 L CA 0.302 55.149 54.840 0.012 0.000 0.921 107 L CB 0.455 42.513 42.059 -0.002 0.000 1.180 107 L HN 0.395 nan 8.230 nan 0.000 0.487 108 G N 0.646 109.455 108.800 0.015 0.000 2.182 108 G HA2 -0.202 3.759 3.960 0.001 0.000 0.248 108 G HA3 -0.202 3.759 3.960 0.001 0.000 0.248 108 G C 0.323 175.228 174.900 0.009 0.000 1.042 108 G CA 0.092 45.200 45.100 0.013 0.000 0.775 108 G HN 0.525 nan 8.290 nan 0.000 0.501 109 G N -1.247 107.558 108.800 0.010 0.000 2.644 109 G HA2 0.562 4.523 3.960 0.001 0.000 0.307 109 G HA3 0.562 4.523 3.960 0.001 0.000 0.307 109 G C -1.070 173.838 174.900 0.014 0.000 1.250 109 G CA -0.105 44.999 45.100 0.006 0.000 0.996 109 G HN 0.229 nan 8.290 nan 0.000 0.489 110 D N 0.116 120.523 120.400 0.012 0.000 2.336 110 D HA 0.302 4.943 4.640 0.001 0.000 0.249 110 D C -1.294 175.024 176.300 0.030 0.000 1.213 110 D CA -2.074 51.937 54.000 0.018 0.000 0.870 110 D CB 1.717 42.524 40.800 0.012 0.000 1.076 110 D HN -0.102 nan 8.370 nan 0.000 0.483 111 P HA -0.137 nan 4.420 nan 0.000 0.217 111 P C 0.555 177.899 177.300 0.073 0.000 1.148 111 P CA 1.039 64.180 63.100 0.068 0.000 0.828 111 P CB 0.243 31.991 31.700 0.079 0.000 0.783 112 E N -0.712 119.513 120.200 0.040 0.000 2.516 112 E HA -0.086 4.264 4.350 0.001 0.000 0.199 112 E C 1.510 178.139 176.600 0.049 0.000 1.069 112 E CA 0.364 56.782 56.400 0.030 0.000 0.876 112 E CB -0.158 29.539 29.700 -0.005 0.000 0.843 112 E HN 0.249 nan 8.360 nan 0.000 0.530 113 K N 0.417 120.846 120.400 0.049 0.000 2.288 113 K HA 0.007 4.328 4.320 0.001 0.000 0.201 113 K C 0.718 177.362 176.600 0.073 0.000 1.048 113 K CA 0.369 56.681 56.287 0.042 0.000 0.956 113 K CB 0.259 32.771 32.500 0.020 0.000 0.746 113 K HN 0.098 nan 8.250 nan 0.000 0.461 114 I N 2.248 122.892 120.570 0.123 0.000 2.337 114 I HA 0.086 4.256 4.170 0.001 0.000 0.291 114 I C -0.260 176.035 176.117 0.297 0.000 1.046 114 I CA -0.083 61.341 61.300 0.208 0.000 1.324 114 I CB -0.047 38.103 38.000 0.251 0.000 1.409 114 I HN 0.116 nan 8.210 nan 0.000 0.494 115 N N 6.893 125.732 118.700 0.232 0.000 2.745 115 N HA 0.414 5.155 4.740 0.001 0.000 0.256 115 N C -2.939 172.494 175.510 -0.128 0.000 1.268 115 N CA -1.002 52.100 53.050 0.087 0.000 0.887 115 N CB 2.302 40.847 38.487 0.098 0.000 1.575 115 N HN 0.125 nan 8.380 nan 0.000 0.496 116 P HA 0.097 nan 4.420 nan 0.000 0.267 116 P C 0.689 177.883 177.300 -0.177 0.000 1.209 116 P CA -0.284 62.526 63.100 -0.483 0.000 0.763 116 P CB 0.360 31.674 31.700 -0.643 0.000 0.816 117 I N 1.911 122.431 120.570 -0.082 0.000 2.399 117 I HA -0.174 3.997 4.170 0.001 0.000 0.254 117 I C 1.271 177.328 176.117 -0.099 0.000 1.146 117 I CA 1.205 62.466 61.300 -0.065 0.000 1.412 117 I CB -1.546 36.427 38.000 -0.045 0.000 1.076 117 I HN 0.412 nan 8.210 nan 0.000 0.432 118 C N -1.761 117.469 119.300 -0.117 0.000 2.913 118 C HA 0.706 5.166 4.460 0.001 0.000 0.322 118 C C -2.772 172.164 174.990 -0.090 0.000 1.292 118 C CA -2.260 56.688 59.018 -0.115 0.000 1.649 118 C CB 1.243 28.900 27.740 -0.138 0.000 2.139 118 C HN -0.047 nan 8.230 nan 0.000 0.475 119 P HA 0.342 nan 4.420 nan 0.000 0.271 119 P C -0.510 176.779 177.300 -0.019 0.000 1.216 119 P CA 0.047 63.151 63.100 0.006 0.000 0.776 119 P CB 0.758 32.530 31.700 0.121 0.000 0.881 120 V N 0.323 120.211 119.914 -0.043 0.000 2.588 120 V HA 0.538 4.659 4.120 0.001 0.000 0.304 120 V C -1.168 174.918 176.094 -0.013 0.000 1.042 120 V CA -0.620 61.653 62.300 -0.046 0.000 0.877 120 V CB 2.080 33.840 31.823 -0.105 0.000 0.996 120 V HN 0.263 nan 8.190 nan 0.000 0.425 121 D N 6.180 126.587 120.400 0.012 0.000 2.427 121 D HA 0.397 5.038 4.640 0.001 0.000 0.226 121 D C -0.245 176.080 176.300 0.042 0.000 1.076 121 D CA 0.044 54.064 54.000 0.033 0.000 0.849 121 D CB 1.999 42.827 40.800 0.046 0.000 1.052 121 D HN 0.608 nan 8.370 nan 0.000 0.515 122 L N 2.288 123.537 121.223 0.043 0.000 2.342 122 L HA 0.195 4.536 4.340 0.001 0.000 0.285 122 L C -0.053 176.857 176.870 0.066 0.000 1.095 122 L CA -0.503 54.369 54.840 0.053 0.000 0.843 122 L CB 0.702 42.795 42.059 0.056 0.000 1.201 122 L HN 0.013 nan 8.230 nan 0.000 0.445 123 V N 5.627 125.578 119.914 0.061 0.000 2.311 123 V HA 0.297 4.417 4.120 0.001 0.000 0.275 123 V C 0.075 176.179 176.094 0.017 0.000 1.022 123 V CA -0.346 61.997 62.300 0.073 0.000 0.830 123 V CB 1.361 33.264 31.823 0.132 0.000 1.012 123 V HN 0.443 nan 8.190 nan 0.000 0.452 124 I N 4.769 125.330 120.570 -0.014 0.000 2.307 124 I HA 0.317 4.488 4.170 0.001 0.000 0.287 124 I C 0.625 176.699 176.117 -0.072 0.000 1.054 124 I CA 0.433 61.663 61.300 -0.117 0.000 1.218 124 I CB 0.120 38.017 38.000 -0.172 0.000 1.398 124 I HN 0.663 nan 8.210 nan 0.000 0.475 148 E N 1.308 121.674 120.200 0.278 0.000 2.208 148 E HA -0.016 4.334 4.350 0.001 0.000 0.193 148 E C 1.898 178.482 176.600 -0.027 0.000 0.988 148 E CA 0.670 57.157 56.400 0.145 0.000 0.828 148 E CB -0.257 29.535 29.700 0.155 0.000 0.763 148 E HN 0.493 nan 8.360 nan 0.000 0.478 149 R N 0.863 121.351 120.500 -0.019 0.000 2.081 149 R HA -0.057 4.283 4.340 0.001 0.000 0.235 149 R C 1.640 177.788 176.300 -0.253 0.000 1.131 149 R CA 1.155 57.210 56.100 -0.075 0.000 0.960 149 R CB -0.028 30.284 30.300 0.020 0.000 0.856 149 R HN 0.157 nan 8.270 nan 0.000 0.436 150 N N 0.165 118.709 118.700 -0.260 0.000 2.424 150 N HA -0.073 4.667 4.740 0.001 0.000 0.178 150 N C 1.495 176.789 175.510 -0.361 0.000 1.060 150 N CA 0.262 53.053 53.050 -0.433 0.000 0.901 150 N CB -0.097 38.148 38.487 -0.402 0.000 0.979 150 N HN 0.016 nan 8.380 nan 0.000 0.451 151 R N 2.063 122.392 120.500 -0.284 0.000 2.140 151 R HA -0.164 4.176 4.340 0.001 0.000 0.250 151 R C 1.837 178.097 176.300 -0.067 0.000 1.150 151 R CA 1.555 57.574 56.100 -0.135 0.000 0.966 151 R CB -0.449 29.804 30.300 -0.078 0.000 0.869 151 R HN 0.386 nan 8.270 nan 0.000 0.445 152 E N -0.570 119.507 120.200 -0.206 0.000 2.047 152 E HA -0.155 4.196 4.350 0.001 0.000 0.191 152 E C 2.087 178.650 176.600 -0.062 0.000 0.987 152 E CA 0.967 57.281 56.400 -0.144 0.000 0.799 152 E CB 0.018 29.563 29.700 -0.259 0.000 0.752 152 E HN 0.325 nan 8.360 nan 0.000 0.449 153 R N -0.355 120.038 120.500 -0.178 0.000 2.075 153 R HA -0.131 4.210 4.340 0.001 0.000 0.232 153 R C 2.328 178.712 176.300 0.140 0.000 1.126 153 R CA 1.278 57.347 56.100 -0.052 0.000 0.963 153 R CB -0.391 29.699 30.300 -0.349 0.000 0.858 153 R HN 0.205 nan 8.270 nan 0.000 0.435 154 F N 2.457 122.415 119.950 0.015 0.000 2.161 154 F HA -0.198 4.330 4.527 0.001 0.000 0.300 154 F C 1.989 177.896 175.800 0.179 0.000 1.089 154 F CA 1.511 59.660 58.000 0.247 0.000 1.282 154 F CB -0.076 39.005 39.000 0.136 0.000 1.010 154 F HN -0.093 nan 8.300 nan 0.000 0.485 155 E N 0.028 120.128 120.200 -0.166 0.000 2.051 155 E HA -0.231 4.119 4.350 0.001 0.000 0.192 155 E C 2.191 178.775 176.600 -0.027 0.000 0.991 155 E CA 1.352 57.640 56.400 -0.185 0.000 0.799 155 E CB -1.178 28.527 29.700 0.009 0.000 0.748 155 E HN 0.505 nan 8.360 nan 0.000 0.449 156 F N 1.598 121.529 119.950 -0.033 0.000 2.126 156 F HA -0.182 4.345 4.527 0.001 0.000 0.299 156 F C 2.127 177.984 175.800 0.095 0.000 1.096 156 F CA 1.244 59.242 58.000 -0.004 0.000 1.255 156 F CB -0.316 38.644 39.000 -0.068 0.000 0.997 156 F HN -0.066 nan 8.300 nan 0.000 0.479 157 L N -0.123 121.091 121.223 -0.016 0.000 2.141 157 L HA -0.197 4.144 4.340 0.001 0.000 0.209 157 L C 2.441 179.220 176.870 -0.153 0.000 1.094 157 L CA 1.558 56.355 54.840 -0.072 0.000 0.763 157 L CB -0.721 41.419 42.059 0.135 0.000 0.908 157 L HN 0.111 nan 8.230 nan 0.000 0.437 158 K N 0.058 120.307 120.400 -0.252 0.000 2.026 158 K HA -0.259 4.061 4.320 0.001 0.000 0.208 158 K C 2.000 178.531 176.600 -0.115 0.000 1.048 158 K CA 1.610 57.752 56.287 -0.241 0.000 0.929 158 K CB -0.474 31.799 32.500 -0.377 0.000 0.713 158 K HN 0.288 nan 8.250 nan 0.000 0.439 159 W N 0.800 121.960 121.300 -0.232 0.000 2.318 159 W HA -0.137 4.523 4.660 0.001 0.000 0.313 159 W C 1.816 178.212 176.519 -0.205 0.000 1.221 159 W CA 2.495 59.732 57.345 -0.180 0.000 1.266 159 W CB -0.944 28.442 29.460 -0.124 0.000 1.150 159 W HN 0.152 nan 8.180 nan 0.000 0.496 160 G N -0.147 108.412 108.800 -0.403 0.000 2.442 160 G HA2 -0.363 3.597 3.960 0.001 0.000 0.219 160 G HA3 -0.363 3.597 3.960 0.001 0.000 0.219 160 G C 1.569 176.290 174.900 -0.299 0.000 1.141 160 G CA 1.784 46.580 45.100 -0.506 0.000 0.763 160 G HN 0.446 nan 8.290 nan 0.000 0.554 161 S N -0.478 115.091 115.700 -0.217 0.000 2.547 161 S HA 0.091 4.561 4.470 0.001 0.000 0.235 161 S C 1.861 176.348 174.600 -0.188 0.000 0.980 161 S CA 1.361 59.478 58.200 -0.139 0.000 0.941 161 S CB -0.032 63.121 63.200 -0.079 0.000 0.763 161 S HN 0.482 nan 8.310 nan 0.000 0.532 162 K N -0.102 120.102 120.400 -0.327 0.000 2.387 162 K HA 0.419 4.739 4.320 0.001 0.000 0.197 162 K C 2.176 178.497 176.600 -0.466 0.000 1.127 162 K CA 0.591 56.688 56.287 -0.316 0.000 0.950 162 K CB 0.010 32.359 32.500 -0.252 0.000 1.017 162 K HN 0.332 nan 8.250 nan 0.000 0.519 163 A N 0.846 123.164 122.820 -0.837 0.000 2.067 163 A HA 0.125 4.446 4.320 0.001 0.000 0.217 163 A C 0.463 177.417 177.584 -1.051 0.000 1.156 163 A CA 0.741 52.143 52.037 -1.058 0.000 0.683 163 A CB -0.111 17.826 19.000 -1.773 0.000 0.808 163 A HN 0.084 nan 8.150 nan 0.000 0.455 164 F N -0.531 119.172 119.950 -0.411 0.000 2.483 164 F HA 0.523 5.050 4.527 0.001 0.000 0.329 164 F C 0.767 176.440 175.800 -0.211 0.000 1.064 164 F CA -0.996 56.832 58.000 -0.288 0.000 0.986 164 F CB 1.226 40.031 39.000 -0.324 0.000 1.218 164 F HN -0.102 nan 8.300 nan 0.000 0.484 165 R N 0.996 121.522 120.500 0.044 0.000 2.410 165 R HA 0.241 4.582 4.340 0.001 0.000 0.288 165 R C 0.091 176.383 176.300 -0.014 0.000 1.051 165 R CA -0.428 55.667 56.100 -0.008 0.000 1.021 165 R CB 0.280 30.575 30.300 -0.008 0.000 1.032 165 R HN 0.784 nan 8.270 nan 0.000 0.481 166 N N 0.890 119.581 118.700 -0.014 0.000 2.714 166 N HA -0.229 4.511 4.740 0.001 0.000 0.250 166 N C -0.633 174.864 175.510 -0.021 0.000 1.117 166 N CA 0.713 53.759 53.050 -0.007 0.000 0.719 166 N CB -0.557 37.933 38.487 0.006 0.000 1.081 166 N HN 0.558 nan 8.380 nan 0.000 0.557 167 M N 1.329 120.911 119.600 -0.030 0.000 2.385 167 M HA 0.202 4.682 4.480 0.001 0.000 0.346 167 M C 0.142 176.429 176.300 -0.021 0.000 1.180 167 M CA -0.366 54.910 55.300 -0.040 0.000 1.154 167 M CB 0.500 33.067 32.600 -0.054 0.000 1.251 167 M HN 0.077 nan 8.290 nan 0.000 0.430 168 R N 2.970 123.471 120.500 0.001 0.000 2.543 168 R HA 0.723 5.064 4.340 0.001 0.000 0.268 168 R C -1.189 175.137 176.300 0.043 0.000 1.067 168 R CA -0.344 55.771 56.100 0.026 0.000 1.142 168 R CB 1.170 31.494 30.300 0.040 0.000 1.110 168 R HN 0.810 nan 8.270 nan 0.000 0.549 169 I N 2.743 123.355 120.570 0.070 0.000 2.644 169 I HA 0.308 4.479 4.170 0.001 0.000 0.291 169 I C -1.434 174.755 176.117 0.119 0.000 1.180 169 I CA -0.703 60.652 61.300 0.092 0.000 1.040 169 I CB 1.711 39.767 38.000 0.093 0.000 1.255 169 I HN 0.583 nan 8.210 nan 0.000 0.422 170 I N 9.886 130.525 120.570 0.115 0.000 2.307 170 I HA 0.356 4.526 4.170 0.001 0.000 0.287 170 I C -2.111 174.062 176.117 0.093 0.000 1.054 170 I CA -1.820 59.537 61.300 0.096 0.000 1.218 170 I CB 1.244 39.293 38.000 0.082 0.000 1.398 170 I HN 0.356 nan 8.210 nan 0.000 0.475 171 P HA 0.263 nan 4.420 nan 0.000 0.274 171 P C -2.713 174.560 177.300 -0.046 0.000 1.246 171 P CA -1.674 61.476 63.100 0.083 0.000 0.795 171 P CB -0.041 31.751 31.700 0.153 0.000 1.006 172 P HA 0.203 nan 4.420 nan 0.000 0.275 172 P C 0.854 178.125 177.300 -0.048 0.000 1.227 172 P CA 0.844 63.876 63.100 -0.114 0.000 0.781 172 P CB 0.096 31.694 31.700 -0.169 0.000 0.906 173 G N 1.044 109.840 108.800 -0.007 0.000 2.176 173 G HA2 -0.237 3.723 3.960 0.001 0.000 0.232 173 G HA3 -0.237 3.723 3.960 0.001 0.000 0.232 173 G C 0.661 175.557 174.900 -0.006 0.000 0.986 173 G CA 0.513 45.614 45.100 0.001 0.000 0.643 173 G HN 0.648 nan 8.290 nan 0.000 0.522 174 S N -0.211 115.481 115.700 -0.013 0.000 3.976 174 S HA 0.697 5.167 4.470 0.001 0.000 0.189 174 S C 1.267 175.843 174.600 -0.040 0.000 0.917 174 S CA 0.506 58.691 58.200 -0.025 0.000 1.552 174 S CB -0.221 62.964 63.200 -0.025 0.000 0.676 174 S HN 1.633 nan 8.310 nan 0.000 0.738 175 G N 1.340 110.100 108.800 -0.068 0.000 2.354 175 G HA2 0.493 4.454 3.960 0.001 0.000 0.266 175 G HA3 0.493 4.454 3.960 0.001 0.000 0.266 175 G C 0.392 175.272 174.900 -0.033 0.000 1.242 175 G CA -0.434 44.616 45.100 -0.084 0.000 0.923 175 G HN 0.815 nan 8.290 nan 0.000 0.476 176 I N 0.297 120.858 120.570 -0.016 0.000 4.009 176 I HA 0.467 4.637 4.170 0.001 0.000 0.331 176 I C -0.027 176.106 176.117 0.028 0.000 1.462 176 I CA -0.300 61.007 61.300 0.012 0.000 1.117 176 I CB 0.367 38.374 38.000 0.012 0.000 1.091 176 I HN 0.179 nan 8.210 nan 0.000 0.410 177 I N 1.956 122.531 120.570 0.008 0.000 2.347 177 I HA 0.193 4.363 4.170 0.001 0.000 0.283 177 I C 1.320 177.451 176.117 0.024 0.000 1.058 177 I CA -0.529 60.778 61.300 0.013 0.000 1.202 177 I CB 0.608 38.592 38.000 -0.026 0.000 1.386 177 I HN 0.161 nan 8.210 nan 0.000 0.475 178 H N 4.157 123.205 119.070 -0.036 0.000 2.289 178 H HA -0.285 4.271 4.556 0.001 0.000 0.294 178 H C 2.053 177.373 175.328 -0.013 0.000 1.095 178 H CA 2.637 58.674 56.048 -0.018 0.000 1.256 178 H CB 0.205 29.962 29.762 -0.009 0.000 1.359 178 H HN 0.637 nan 8.280 nan 0.000 0.487 179 Q N -0.235 119.540 119.800 -0.043 0.000 2.133 179 Q HA -0.166 4.175 4.340 0.001 0.000 0.208 179 Q C 2.277 178.241 176.000 -0.061 0.000 0.991 179 Q CA 2.356 58.116 55.803 -0.072 0.000 0.867 179 Q CB -0.117 28.607 28.738 -0.023 0.000 0.911 179 Q HN 0.429 nan 8.270 nan 0.000 0.417 180 V N 1.570 121.417 119.914 -0.113 0.000 2.548 180 V HA -0.204 3.917 4.120 0.001 0.000 0.249 180 V C 1.932 177.949 176.094 -0.129 0.000 1.055 180 V CA 1.635 63.799 62.300 -0.226 0.000 1.065 180 V CB -0.629 30.880 31.823 -0.525 0.000 0.681 180 V HN 0.407 nan 8.190 nan 0.000 0.462 181 N N 0.467 119.099 118.700 -0.114 0.000 2.142 181 N HA -0.064 4.676 4.740 0.001 0.000 0.186 181 N C 1.841 177.382 175.510 0.051 0.000 1.023 181 N CA 1.275 54.311 53.050 -0.022 0.000 0.852 181 N CB -0.315 38.155 38.487 -0.028 0.000 0.998 181 N HN 0.381 nan 8.380 nan 0.000 0.424 182 L N 1.231 122.406 121.223 -0.081 0.000 2.046 182 L HA -0.116 4.225 4.340 0.001 0.000 0.208 182 L C 2.034 178.942 176.870 0.062 0.000 1.077 182 L CA 1.216 56.029 54.840 -0.046 0.000 0.747 182 L CB -0.385 41.592 42.059 -0.138 0.000 0.896 182 L HN 0.176 nan 8.230 nan 0.000 0.432 183 E N -0.910 119.375 120.200 0.142 0.000 2.208 183 E HA -0.238 4.112 4.350 0.001 0.000 0.193 183 E C 1.953 178.706 176.600 0.254 0.000 0.988 183 E CA 0.904 57.438 56.400 0.222 0.000 0.828 183 E CB -0.082 29.857 29.700 0.399 0.000 0.763 183 E HN 0.412 nan 8.360 nan 0.000 0.478 184 Y N 1.019 121.449 120.300 0.216 0.000 2.181 184 Y HA -0.126 4.425 4.550 0.001 0.000 0.288 184 Y C 1.592 177.523 175.900 0.053 0.000 1.146 184 Y CA 1.280 59.477 58.100 0.162 0.000 1.164 184 Y CB -0.016 38.475 38.460 0.052 0.000 0.982 184 Y HN -0.058 nan 8.280 nan 0.000 0.515 185 L N 0.552 121.741 121.223 -0.057 0.000 2.599 185 L HA 0.211 4.552 4.340 0.001 0.000 0.230 185 L C 0.878 177.674 176.870 -0.122 0.000 1.141 185 L CA 0.078 54.822 54.840 -0.159 0.000 0.877 185 L CB -0.570 41.480 42.059 -0.014 0.000 1.009 185 L HN 0.212 nan 8.230 nan 0.000 0.447 186 A N -0.109 122.663 122.820 -0.079 0.000 2.343 186 A HA 0.335 4.656 4.320 0.001 0.000 0.305 186 A C 0.873 178.380 177.584 -0.128 0.000 1.308 186 A CA -0.447 51.556 52.037 -0.057 0.000 0.949 186 A CB 0.377 19.382 19.000 0.008 0.000 1.148 186 A HN 0.161 nan 8.150 nan 0.000 0.545 187 R N 1.504 121.876 120.500 -0.214 0.000 2.073 187 R HA 0.097 4.438 4.340 0.001 0.000 0.229 187 R C 1.397 177.594 176.300 -0.171 0.000 1.120 187 R CA 1.647 57.543 56.100 -0.339 0.000 0.967 187 R CB -0.509 29.296 30.300 -0.825 0.000 0.862 187 R HN 0.928 nan 8.270 nan 0.000 0.436 188 V N -3.086 116.797 119.914 -0.051 0.000 0.434 188 V HA -0.269 3.851 4.120 0.001 0.000 0.092 188 V C -0.048 176.118 176.094 0.119 0.000 2.581 188 V CA 1.541 63.879 62.300 0.063 0.000 3.733 188 V CB -1.149 30.706 31.823 0.054 0.000 1.002 188 V HN 0.082 nan 8.190 nan 0.000 1.053 189 V N 0.244 120.179 119.914 0.035 0.000 2.733 189 V HA 0.670 4.790 4.120 0.001 0.000 0.306 189 V C -0.799 175.238 176.094 -0.096 0.000 1.084 189 V CA -0.490 61.856 62.300 0.076 0.000 0.905 189 V CB 1.958 33.869 31.823 0.147 0.000 1.010 189 V HN 0.290 nan 8.190 nan 0.000 0.424 190 F N 2.416 122.152 119.950 -0.357 0.000 2.380 190 F HA 0.554 5.081 4.527 0.001 0.000 0.321 190 F C 0.548 176.098 175.800 -0.415 0.000 1.103 190 F CA -0.166 57.532 58.000 -0.503 0.000 1.067 190 F CB 1.338 39.691 39.000 -1.080 0.000 1.265 190 F HN 0.576 nan 8.300 nan 0.000 0.517 191 D N 1.270 121.603 120.400 -0.112 0.000 2.968 191 D HA 0.146 4.786 4.640 0.001 0.000 0.301 191 D C -1.148 175.095 176.300 -0.094 0.000 1.226 191 D CA -0.134 53.732 54.000 -0.223 0.000 0.746 191 D CB 0.007 40.695 40.800 -0.186 0.000 1.278 191 D HN 0.452 nan 8.370 nan 0.000 0.544 192 Q N 0.551 120.375 119.800 0.040 0.000 2.345 192 Q HA 0.331 4.671 4.340 0.001 0.000 0.268 192 Q C -0.443 175.663 176.000 0.177 0.000 1.054 192 Q CA -0.871 55.015 55.803 0.139 0.000 0.835 192 Q CB 1.607 30.501 28.738 0.259 0.000 1.339 192 Q HN 0.170 nan 8.270 nan 0.000 0.447 193 D N 1.251 121.726 120.400 0.124 0.000 2.692 193 D HA -0.208 4.433 4.640 0.001 0.000 0.233 193 D C 0.485 176.911 176.300 0.211 0.000 1.172 193 D CA 1.548 55.632 54.000 0.139 0.000 0.636 193 D CB -1.269 39.613 40.800 0.137 0.000 1.028 193 D HN 1.070 nan 8.370 nan 0.000 0.419 194 G N -0.610 108.238 108.800 0.080 0.000 2.221 194 G HA2 -0.309 3.651 3.960 0.001 0.000 0.265 194 G HA3 -0.309 3.651 3.960 0.001 0.000 0.265 194 G C -0.282 174.528 174.900 -0.150 0.000 1.041 194 G CA 0.512 45.584 45.100 -0.045 0.000 0.807 194 G HN 0.512 nan 8.290 nan 0.000 0.502 195 Y N -1.945 118.331 120.300 -0.041 0.000 2.544 195 Y HA 0.603 5.154 4.550 0.001 0.000 0.342 195 Y C -0.355 175.527 175.900 -0.030 0.000 1.062 195 Y CA -1.313 56.834 58.100 0.077 0.000 1.023 195 Y CB 1.468 40.100 38.460 0.286 0.000 1.308 195 Y HN 0.122 nan 8.280 nan 0.000 0.457 196 Y N 2.958 123.412 120.300 0.256 0.000 2.331 196 Y HA 0.553 5.103 4.550 0.001 0.000 0.338 196 Y C -0.772 175.031 175.900 -0.162 0.000 0.992 196 Y CA -1.051 56.919 58.100 -0.215 0.000 1.121 196 Y CB 1.095 39.222 38.460 -0.556 0.000 1.184 196 Y HN 0.479 nan 8.280 nan 0.000 0.469 197 Y N 1.063 121.301 120.300 -0.103 0.000 2.624 197 Y HA 0.715 5.266 4.550 0.001 0.000 0.334 197 Y C -3.481 172.557 175.900 0.229 0.000 1.155 197 Y CA -3.694 54.471 58.100 0.108 0.000 1.046 197 Y CB 0.891 39.433 38.460 0.136 0.000 1.316 197 Y HN 0.263 nan 8.280 nan 0.000 0.457 198 P HA 0.089 nan 4.420 nan 0.000 0.271 198 P C -0.768 176.797 177.300 0.443 0.000 1.216 198 P CA 0.200 63.564 63.100 0.440 0.000 0.776 198 P CB 0.673 32.627 31.700 0.424 0.000 0.881 199 D N 1.538 122.187 120.400 0.414 0.000 2.345 199 D HA 0.374 5.015 4.640 0.001 0.000 0.247 199 D C -0.649 175.870 176.300 0.365 0.000 1.108 199 D CA 0.355 54.643 54.000 0.480 0.000 0.894 199 D CB 0.322 41.297 40.800 0.292 0.000 1.203 199 D HN 0.354 nan 8.370 nan 0.000 0.430 200 S N 2.169 118.064 115.700 0.325 0.000 2.567 200 S HA 0.684 5.155 4.470 0.001 0.000 0.270 200 S C -0.887 173.805 174.600 0.154 0.000 1.152 200 S CA -0.925 57.436 58.200 0.268 0.000 0.835 200 S CB 0.573 63.984 63.200 0.352 0.000 1.115 200 S HN 0.784 nan 8.310 nan 0.000 0.459 201 L N -0.978 120.305 121.223 0.099 0.000 2.892 201 L HA 1.002 5.343 4.340 0.001 0.000 0.269 201 L C -1.730 175.055 176.870 -0.141 0.000 1.058 201 L CA -1.320 53.498 54.840 -0.037 0.000 0.923 201 L CB 1.452 43.526 42.059 0.025 0.000 1.518 201 L HN 1.130 nan 8.230 nan 0.000 0.402 202 V N -2.028 117.784 119.914 -0.171 0.000 2.808 202 V HA 1.022 5.143 4.120 0.001 0.000 0.308 202 V C -0.225 175.824 176.094 -0.075 0.000 1.099 202 V CA 0.397 62.577 62.300 -0.201 0.000 0.920 202 V CB 0.885 32.544 31.823 -0.273 0.000 1.014 202 V HN 1.250 nan 8.190 nan 0.000 0.425 203 G N 1.122 109.915 108.800 -0.013 0.000 2.680 203 G HA2 0.629 4.590 3.960 0.001 0.000 0.290 203 G HA3 0.629 4.590 3.960 0.001 0.000 0.290 203 G C 0.129 175.063 174.900 0.055 0.000 1.355 203 G CA -0.031 45.088 45.100 0.031 0.000 0.903 203 G HN 1.417 nan 8.290 nan 0.000 0.474 204 T N -2.082 112.507 114.554 0.060 0.000 3.273 204 T HA 0.281 4.631 4.350 0.001 0.000 0.254 204 T C -0.270 174.468 174.700 0.063 0.000 1.002 204 T CA -0.179 61.959 62.100 0.063 0.000 0.913 204 T CB 0.059 68.965 68.868 0.064 0.000 1.056 204 T HN 0.402 nan 8.240 nan 0.000 0.576 205 D N 1.012 121.457 120.400 0.076 0.000 2.471 205 D HA 0.320 4.960 4.640 0.001 0.000 0.245 205 D C 1.380 177.713 176.300 0.054 0.000 1.116 205 D CA -0.451 53.597 54.000 0.080 0.000 0.853 205 D CB 1.855 42.755 40.800 0.168 0.000 1.123 205 D HN 0.101 nan 8.370 nan 0.000 0.540 206 S N 3.131 118.799 115.700 -0.053 0.000 2.423 206 S HA -0.256 4.214 4.470 0.001 0.000 0.238 206 S C 1.232 175.740 174.600 -0.153 0.000 1.028 206 S CA 0.926 59.043 58.200 -0.137 0.000 1.000 206 S CB -0.481 62.553 63.200 -0.277 0.000 0.797 206 S HN 0.627 nan 8.310 nan 0.000 0.487 207 H N 1.179 120.329 119.070 0.133 0.000 2.555 207 H HA 0.266 4.822 4.556 0.001 0.000 0.283 207 H C 1.443 176.860 175.328 0.149 0.000 1.037 207 H CA 0.667 56.806 56.048 0.151 0.000 1.169 207 H CB -0.559 29.332 29.762 0.215 0.000 1.375 207 H HN 0.456 nan 8.280 nan 0.000 0.582 208 T N 0.191 114.873 114.554 0.214 0.000 2.788 208 T HA -0.147 4.203 4.350 0.001 0.000 0.268 208 T C 2.238 177.050 174.700 0.186 0.000 1.044 208 T CA 1.895 64.104 62.100 0.181 0.000 1.139 208 T CB -0.201 68.761 68.868 0.156 0.000 0.867 208 T HN 0.602 nan 8.240 nan 0.000 0.454 209 T N 1.061 115.738 114.554 0.205 0.000 2.946 209 T HA -0.098 4.253 4.350 0.001 0.000 0.271 209 T C 1.837 176.635 174.700 0.164 0.000 1.104 209 T CA 0.944 63.167 62.100 0.204 0.000 1.114 209 T CB -0.568 68.404 68.868 0.173 0.000 0.867 209 T HN 0.337 nan 8.240 nan 0.000 0.513 210 M N 0.138 119.823 119.600 0.143 0.000 2.213 210 M HA -0.002 4.479 4.480 0.001 0.000 0.263 210 M C 2.010 178.338 176.300 0.047 0.000 1.062 210 M CA 1.485 56.834 55.300 0.081 0.000 1.105 210 M CB -0.351 32.289 32.600 0.067 0.000 1.385 210 M HN 0.288 nan 8.290 nan 0.000 0.417 211 I N 1.435 122.051 120.570 0.077 0.000 2.916 211 I HA -0.181 3.989 4.170 0.001 0.000 0.267 211 I C 0.575 176.746 176.117 0.089 0.000 1.263 211 I CA 1.395 62.733 61.300 0.063 0.000 1.471 211 I CB -0.534 37.515 38.000 0.081 0.000 1.089 211 I HN 0.272 nan 8.210 nan 0.000 0.468 212 D N -0.263 120.224 120.400 0.146 0.000 2.378 212 D HA -0.001 4.640 4.640 0.001 0.000 0.227 212 D C 2.078 178.459 176.300 0.135 0.000 1.012 212 D CA 0.902 55.043 54.000 0.235 0.000 0.905 212 D CB -0.151 40.845 40.800 0.326 0.000 0.895 212 D HN 0.416 nan 8.370 nan 0.000 0.532 213 G N -0.072 108.714 108.800 -0.023 0.000 2.985 213 G HA2 -0.001 3.959 3.960 0.001 0.000 0.209 213 G HA3 -0.001 3.959 3.960 0.001 0.000 0.209 213 G C 0.955 175.680 174.900 -0.293 0.000 1.165 213 G CA -0.061 44.873 45.100 -0.276 0.000 0.776 213 G HN 0.206 nan 8.290 nan 0.000 0.541 214 L N -0.246 120.882 121.223 -0.159 0.000 2.959 214 L HA 0.470 4.811 4.340 0.001 0.000 0.259 214 L C 1.505 178.326 176.870 -0.081 0.000 1.185 214 L CA 0.576 55.328 54.840 -0.147 0.000 0.998 214 L CB 0.143 42.136 42.059 -0.109 0.000 1.337 214 L HN 0.276 nan 8.230 nan 0.000 0.555 215 G N -0.726 107.990 108.800 -0.141 0.000 2.194 215 G HA2 -0.203 3.757 3.960 0.001 0.000 0.236 215 G HA3 -0.203 3.757 3.960 0.001 0.000 0.236 215 G C 0.097 175.147 174.900 0.251 0.000 0.987 215 G CA 0.078 45.069 45.100 -0.182 0.000 0.635 215 G HN 0.191 nan 8.290 nan 0.000 0.520 216 V N 2.037 122.112 119.914 0.268 0.000 2.406 216 V HA 0.615 4.736 4.120 0.001 0.000 0.272 216 V C 0.683 177.040 176.094 0.439 0.000 1.043 216 V CA -0.662 61.847 62.300 0.348 0.000 0.915 216 V CB 1.450 33.400 31.823 0.212 0.000 0.988 216 V HN 0.438 nan 8.190 nan 0.000 0.466 217 L N 5.271 126.739 121.223 0.407 0.000 2.380 217 L HA 0.818 5.159 4.340 0.001 0.000 0.273 217 L C 0.468 177.440 176.870 0.170 0.000 1.138 217 L CA 1.109 56.069 54.840 0.201 0.000 0.832 217 L CB 0.644 42.649 42.059 -0.090 0.000 1.124 217 L HN 0.895 nan 8.230 nan 0.000 0.454 218 G N 3.229 112.138 108.800 0.182 0.000 2.358 218 G HA2 0.416 4.376 3.960 0.001 0.000 0.301 218 G HA3 0.416 4.376 3.960 0.001 0.000 0.301 218 G C -2.170 172.910 174.900 0.301 0.000 1.539 218 G CA -0.269 44.859 45.100 0.046 0.000 0.893 218 G HN 1.043 nan 8.290 nan 0.000 0.636 219 W N -0.590 120.805 121.300 0.159 0.000 2.923 219 W HA 0.797 5.457 4.660 0.001 0.000 0.373 219 W C 0.288 176.878 176.519 0.118 0.000 1.205 219 W CA -1.128 56.288 57.345 0.118 0.000 1.180 219 W CB 0.618 30.139 29.460 0.101 0.000 1.477 219 W HN 1.201 nan 8.180 nan 0.000 0.581 220 G N 0.642 109.662 108.800 0.365 0.000 2.444 220 G HA2 0.600 4.560 3.960 0.001 0.000 0.268 220 G HA3 0.600 4.560 3.960 0.001 0.000 0.268 220 G C -0.762 174.310 174.900 0.286 0.000 1.203 220 G CA -0.031 45.203 45.100 0.223 0.000 0.835 220 G HN 1.458 nan 8.290 nan 0.000 0.543 221 V N -0.898 119.119 119.914 0.172 0.000 3.181 221 V HA 0.962 5.083 4.120 0.001 0.000 0.307 221 V C 0.609 176.765 176.094 0.103 0.000 1.310 221 V CA -0.508 61.894 62.300 0.170 0.000 1.067 221 V CB 1.184 33.096 31.823 0.149 0.000 1.081 221 V HN 1.181 nan 8.190 nan 0.000 0.453 222 G N -0.235 108.619 108.800 0.090 0.000 2.569 222 G HA2 0.451 4.411 3.960 0.001 0.000 0.249 222 G HA3 0.451 4.411 3.960 0.001 0.000 0.249 222 G C 1.000 175.928 174.900 0.047 0.000 1.216 222 G CA 0.057 45.195 45.100 0.063 0.000 0.845 222 G HN 1.611 nan 8.290 nan 0.000 0.568 223 G N 0.171 108.998 108.800 0.044 0.000 2.446 223 G HA2 -0.235 3.726 3.960 0.001 0.000 0.217 223 G HA3 -0.235 3.726 3.960 0.001 0.000 0.217 223 G C 1.686 176.591 174.900 0.007 0.000 1.168 223 G CA 0.982 46.105 45.100 0.038 0.000 0.771 223 G HN 0.572 nan 8.290 nan 0.000 0.551 224 I N 0.507 121.067 120.570 -0.018 0.000 2.264 224 I HA -0.169 4.002 4.170 0.001 0.000 0.248 224 I C 2.741 178.834 176.117 -0.040 0.000 1.111 224 I CA 1.290 62.555 61.300 -0.059 0.000 1.382 224 I CB -0.205 37.745 38.000 -0.082 0.000 1.060 224 I HN 0.134 nan 8.210 nan 0.000 0.418 225 E N 0.978 121.172 120.200 -0.009 0.000 2.072 225 E HA -0.114 4.237 4.350 0.001 0.000 0.190 225 E C 2.283 178.876 176.600 -0.013 0.000 0.982 225 E CA 1.339 57.739 56.400 -0.001 0.000 0.803 225 E CB -0.364 29.357 29.700 0.035 0.000 0.755 225 E HN 0.453 nan 8.360 nan 0.000 0.453 226 A N 0.890 123.707 122.820 -0.004 0.000 1.883 226 A HA -0.291 4.030 4.320 0.001 0.000 0.217 226 A C 2.193 179.773 177.584 -0.007 0.000 1.186 226 A CA 1.943 53.972 52.037 -0.014 0.000 0.624 226 A CB -0.662 18.341 19.000 0.005 0.000 0.822 226 A HN 0.325 nan 8.150 nan 0.000 0.444 227 E N -0.163 120.042 120.200 0.008 0.000 2.085 227 E HA -0.161 4.190 4.350 0.001 0.000 0.194 227 E C 2.101 178.712 176.600 0.018 0.000 0.994 227 E CA 1.266 57.688 56.400 0.037 0.000 0.801 227 E CB -0.317 29.387 29.700 0.007 0.000 0.743 227 E HN 0.538 nan 8.360 nan 0.000 0.453 228 A N 0.380 123.183 122.820 -0.027 0.000 1.917 228 A HA -0.191 4.130 4.320 0.001 0.000 0.219 228 A C 2.414 179.985 177.584 -0.021 0.000 1.182 228 A CA 1.724 53.739 52.037 -0.036 0.000 0.633 228 A CB -0.762 18.218 19.000 -0.035 0.000 0.819 228 A HN 0.252 nan 8.150 nan 0.000 0.448 229 V N -0.335 119.555 119.914 -0.040 0.000 2.515 229 V HA -0.280 3.840 4.120 0.001 0.000 0.250 229 V C 2.529 178.594 176.094 -0.049 0.000 1.058 229 V CA 2.124 64.378 62.300 -0.077 0.000 1.064 229 V CB -0.703 31.040 31.823 -0.133 0.000 0.675 229 V HN 0.592 nan 8.190 nan 0.000 0.461 230 M N -0.818 118.782 119.600 -0.001 0.000 2.374 230 M HA -0.027 4.454 4.480 0.001 0.000 0.264 230 M C 1.604 177.998 176.300 0.157 0.000 1.067 230 M CA 1.531 56.852 55.300 0.034 0.000 1.103 230 M CB -0.179 32.463 32.600 0.071 0.000 1.402 230 M HN 0.253 nan 8.290 nan 0.000 0.444 231 L N -0.873 120.427 121.223 0.129 0.000 2.607 231 L HA 0.277 4.618 4.340 0.001 0.000 0.228 231 L C 1.276 178.183 176.870 0.061 0.000 1.123 231 L CA 0.102 55.003 54.840 0.102 0.000 0.890 231 L CB -0.106 41.947 42.059 -0.009 0.000 1.103 231 L HN 0.554 nan 8.230 nan 0.000 0.468 232 G N 0.216 109.034 108.800 0.030 0.000 2.157 232 G HA2 -0.319 3.641 3.960 0.001 0.000 0.239 232 G HA3 -0.319 3.641 3.960 0.001 0.000 0.239 232 G C 0.210 175.124 174.900 0.024 0.000 0.982 232 G CA 0.053 45.163 45.100 0.016 0.000 0.650 232 G HN 0.355 nan 8.290 nan 0.000 0.527 233 Q N 1.935 121.752 119.800 0.029 0.000 2.361 233 Q HA 0.523 4.863 4.340 0.001 0.000 0.250 233 Q C -1.766 174.220 176.000 -0.023 0.000 1.023 233 Q CA -2.349 53.477 55.803 0.038 0.000 0.915 233 Q CB 1.020 29.806 28.738 0.081 0.000 1.238 233 Q HN 0.351 nan 8.270 nan 0.000 0.451 234 P HA -0.029 nan 4.420 nan 0.000 0.268 234 P C -0.328 176.958 177.300 -0.022 0.000 1.208 234 P CA -0.137 62.922 63.100 -0.068 0.000 0.777 234 P CB 0.684 32.355 31.700 -0.049 0.000 0.875 235 I N 1.340 121.903 120.570 -0.012 0.000 2.496 235 I HA 0.025 4.195 4.170 0.001 0.000 0.285 235 I C 1.287 177.494 176.117 0.151 0.000 1.080 235 I CA 0.380 61.731 61.300 0.087 0.000 1.404 235 I CB 0.344 38.444 38.000 0.166 0.000 1.403 235 I HN 0.344 nan 8.210 nan 0.000 0.539 236 S N 8.532 124.306 115.700 0.123 0.000 2.537 236 S HA 0.775 5.246 4.470 0.001 0.000 0.275 236 S C -0.342 174.346 174.600 0.147 0.000 1.272 236 S CA -0.594 57.671 58.200 0.108 0.000 1.050 236 S CB 0.456 63.690 63.200 0.058 0.000 0.961 236 S HN 0.586 nan 8.310 nan 0.000 0.496 237 M N 2.743 122.421 119.600 0.130 0.000 2.603 237 M HA 0.547 5.027 4.480 0.001 0.000 0.275 237 M C -1.761 174.564 176.300 0.043 0.000 1.226 237 M CA -1.060 54.308 55.300 0.112 0.000 0.870 237 M CB 1.322 34.038 32.600 0.194 0.000 1.716 237 M HN 0.201 nan 8.290 nan 0.000 0.482 238 V N 2.384 122.296 119.914 -0.003 0.000 2.614 238 V HA 0.188 4.309 4.120 0.001 0.000 0.291 238 V C 0.122 176.168 176.094 -0.081 0.000 1.049 238 V CA -0.595 61.683 62.300 -0.037 0.000 1.038 238 V CB 1.124 32.917 31.823 -0.050 0.000 0.980 238 V HN 0.748 nan 8.190 nan 0.000 0.481 239 L N 9.772 130.957 121.223 -0.064 0.000 2.615 239 L HA 0.229 4.570 4.340 0.001 0.000 0.271 239 L C -1.708 175.086 176.870 -0.127 0.000 1.183 239 L CA -0.487 54.313 54.840 -0.067 0.000 0.933 239 L CB 0.085 42.141 42.059 -0.004 0.000 1.199 239 L HN 0.494 nan 8.230 nan 0.000 0.487 240 P HA 0.116 nan 4.420 nan 0.000 0.276 240 P C -1.129 176.138 177.300 -0.055 0.000 1.244 240 P CA -0.534 62.384 63.100 -0.304 0.000 0.801 240 P CB 0.798 32.017 31.700 -0.803 0.000 1.006 241 Q N -0.047 119.728 119.800 -0.043 0.000 2.312 241 Q HA 0.427 4.768 4.340 0.001 0.000 0.236 241 Q C -0.635 175.492 176.000 0.212 0.000 0.965 241 Q CA -0.697 55.156 55.803 0.084 0.000 0.894 241 Q CB 1.058 29.795 28.738 -0.000 0.000 1.225 241 Q HN 0.229 nan 8.270 nan 0.000 0.478 242 V N 3.209 123.365 119.914 0.404 0.000 2.409 242 V HA 0.254 4.375 4.120 0.001 0.000 0.290 242 V C -0.520 175.747 176.094 0.287 0.000 1.017 242 V CA -0.743 61.766 62.300 0.347 0.000 0.841 242 V CB 1.397 33.413 31.823 0.321 0.000 1.003 242 V HN 0.627 nan 8.190 nan 0.000 0.426 243 I N 4.125 124.772 120.570 0.129 0.000 2.396 243 I HA 0.337 4.508 4.170 0.001 0.000 0.289 243 I C 1.084 177.058 176.117 -0.239 0.000 1.056 243 I CA 0.369 61.660 61.300 -0.016 0.000 1.365 243 I CB 1.095 39.066 38.000 -0.047 0.000 1.407 243 I HN 0.696 nan 8.210 nan 0.000 0.509 244 G N 6.345 114.863 108.800 -0.470 0.000 2.327 244 G HA2 0.237 4.197 3.960 0.001 0.000 0.302 244 G HA3 0.237 4.197 3.960 0.001 0.000 0.302 244 G C -1.040 173.641 174.900 -0.364 0.000 1.113 244 G CA -0.286 44.174 45.100 -1.068 0.000 0.921 244 G HN 0.588 nan 8.290 nan 0.000 0.425 245 Y N 3.577 123.536 120.300 -0.568 0.000 2.593 245 Y HA 0.396 4.946 4.550 0.001 0.000 0.331 245 Y C 0.874 176.369 175.900 -0.674 0.000 0.986 245 Y CA -1.073 56.617 58.100 -0.683 0.000 1.262 245 Y CB 0.547 38.254 38.460 -1.254 0.000 1.098 245 Y HN 0.539 nan 8.280 nan 0.000 0.506 246 R N 5.048 125.142 120.500 -0.678 0.000 2.308 246 R HA 0.419 4.760 4.340 0.001 0.000 0.305 246 R C -1.822 174.258 176.300 -0.367 0.000 1.053 246 R CA -0.480 55.014 56.100 -1.010 0.000 0.957 246 R CB 0.486 29.947 30.300 -1.400 0.000 1.022 246 R HN 0.544 nan 8.270 nan 0.000 0.461 247 L N 6.096 127.169 121.223 -0.249 0.000 2.322 247 L HA 0.578 4.919 4.340 0.001 0.000 0.281 247 L C -0.663 176.134 176.870 -0.121 0.000 1.014 247 L CA -0.513 54.281 54.840 -0.076 0.000 0.815 247 L CB 1.545 43.604 42.059 -0.001 0.000 1.247 247 L HN 0.829 nan 8.230 nan 0.000 0.421 248 M N 1.277 120.829 119.600 -0.080 0.000 2.833 248 M HA 0.922 5.403 4.480 0.001 0.000 0.270 248 M C -0.082 176.188 176.300 -0.050 0.000 1.209 248 M CA -0.305 54.954 55.300 -0.069 0.000 0.826 248 M CB 1.349 33.903 32.600 -0.078 0.000 1.657 248 M HN 0.746 nan 8.290 nan 0.000 0.492 249 G N 0.170 108.942 108.800 -0.046 0.000 2.728 249 G HA2 0.059 4.020 3.960 0.001 0.000 0.294 249 G HA3 0.059 4.020 3.960 0.001 0.000 0.294 249 G C -1.603 173.263 174.900 -0.056 0.000 1.342 249 G CA -0.360 44.710 45.100 -0.049 0.000 0.866 249 G HN 1.022 nan 8.290 nan 0.000 0.534 250 K N 0.652 121.004 120.400 -0.080 0.000 2.328 250 K HA 0.697 5.018 4.320 0.001 0.000 0.246 250 K C -2.417 174.108 176.600 -0.126 0.000 0.955 250 K CA -2.034 54.198 56.287 -0.092 0.000 0.817 250 K CB 2.826 35.265 32.500 -0.101 0.000 1.208 250 K HN 0.431 nan 8.250 nan 0.000 0.432 251 P HA 0.225 nan 4.420 nan 0.000 0.282 251 P C -0.985 176.242 177.300 -0.122 0.000 1.259 251 P CA -0.395 62.665 63.100 -0.066 0.000 0.826 251 P CB 1.008 32.704 31.700 -0.006 0.000 1.064 252 H N 1.417 120.461 119.070 -0.042 0.000 2.679 252 H HA 0.092 4.648 4.556 0.001 0.000 0.369 252 H C -1.177 174.095 175.328 -0.093 0.000 1.178 252 H CA -0.360 55.646 56.048 -0.069 0.000 1.419 252 H CB -0.710 29.002 29.762 -0.083 0.000 1.458 252 H HN 0.357 nan 8.280 nan 0.000 0.605 253 P HA -0.231 nan 4.420 nan 0.000 0.216 253 P C 1.001 178.113 177.300 -0.313 0.000 1.167 253 P CA 1.548 64.559 63.100 -0.149 0.000 0.914 253 P CB 0.153 31.717 31.700 -0.228 0.000 0.793 254 L N -1.917 118.989 121.223 -0.529 0.000 2.622 254 L HA -0.009 4.331 4.340 0.001 0.000 0.233 254 L C 0.497 177.313 176.870 -0.091 0.000 1.156 254 L CA -0.095 54.315 54.840 -0.716 0.000 0.866 254 L CB -0.548 41.036 42.059 -0.791 0.000 0.980 254 L HN -0.160 nan 8.230 nan 0.000 0.448 255 V N 0.776 120.695 119.914 0.009 0.000 2.521 255 V HA 0.062 4.182 4.120 0.001 0.000 0.286 255 V C 0.842 177.016 176.094 0.133 0.000 1.034 255 V CA -0.060 62.284 62.300 0.073 0.000 1.045 255 V CB 0.879 32.738 31.823 0.060 0.000 0.974 255 V HN 0.378 nan 8.190 nan 0.000 0.480 256 T N 1.474 116.100 114.554 0.120 0.000 2.936 256 T HA 0.306 4.656 4.350 0.001 0.000 0.282 256 T C 1.241 175.963 174.700 0.037 0.000 1.003 256 T CA -0.135 62.022 62.100 0.094 0.000 1.005 256 T CB 1.545 70.463 68.868 0.083 0.000 1.097 256 T HN 0.409 nan 8.240 nan 0.000 0.532 257 S N 0.629 116.332 115.700 0.004 0.000 2.359 257 S HA -0.124 4.347 4.470 0.001 0.000 0.224 257 S C 2.202 176.787 174.600 -0.025 0.000 1.035 257 S CA 1.965 60.149 58.200 -0.028 0.000 1.018 257 S CB -1.015 62.150 63.200 -0.058 0.000 0.876 257 S HN 0.892 nan 8.310 nan 0.000 0.448 258 T N 2.224 116.768 114.554 -0.017 0.000 2.759 258 T HA -0.132 4.218 4.350 0.001 0.000 0.269 258 T C 1.393 176.099 174.700 0.010 0.000 1.042 258 T CA 1.463 63.559 62.100 -0.008 0.000 1.140 258 T CB -0.554 68.314 68.868 0.000 0.000 0.864 258 T HN 0.325 nan 8.240 nan 0.000 0.455 259 D N 0.999 121.412 120.400 0.022 0.000 2.092 259 D HA -0.047 4.594 4.640 0.001 0.000 0.193 259 D C 2.110 178.423 176.300 0.021 0.000 0.994 259 D CA 0.912 54.929 54.000 0.030 0.000 0.828 259 D CB -0.407 40.417 40.800 0.040 0.000 0.963 259 D HN 0.358 nan 8.370 nan 0.000 0.450 260 I N 0.439 121.015 120.570 0.011 0.000 2.142 260 I HA -0.238 3.933 4.170 0.001 0.000 0.240 260 I C 2.523 178.635 176.117 -0.008 0.000 1.078 260 I CA 0.624 61.926 61.300 0.002 0.000 1.343 260 I CB -0.279 37.713 38.000 -0.014 0.000 1.046 260 I HN -0.110 nan 8.210 nan 0.000 0.405 261 V N 1.283 121.184 119.914 -0.023 0.000 2.252 261 V HA -0.310 3.810 4.120 0.001 0.000 0.249 261 V C 2.415 178.515 176.094 0.010 0.000 1.056 261 V CA 1.940 64.225 62.300 -0.025 0.000 1.022 261 V CB -0.548 31.256 31.823 -0.030 0.000 0.641 261 V HN 0.377 nan 8.190 nan 0.000 0.445 262 L N -0.433 120.804 121.223 0.023 0.000 2.131 262 L HA -0.172 4.169 4.340 0.001 0.000 0.210 262 L C 2.558 179.456 176.870 0.048 0.000 1.092 262 L CA 1.845 56.710 54.840 0.042 0.000 0.759 262 L CB -1.013 41.070 42.059 0.040 0.000 0.903 262 L HN 0.413 nan 8.230 nan 0.000 0.435 263 T N 0.143 114.721 114.554 0.041 0.000 2.737 263 T HA -0.117 4.233 4.350 0.001 0.000 0.265 263 T C 1.926 176.682 174.700 0.093 0.000 1.038 263 T CA 1.260 63.391 62.100 0.052 0.000 1.144 263 T CB -0.150 68.744 68.868 0.043 0.000 0.866 263 T HN 0.205 nan 8.240 nan 0.000 0.434 264 I N 1.112 121.720 120.570 0.064 0.000 2.252 264 I HA -0.161 4.010 4.170 0.001 0.000 0.245 264 I C 2.759 178.868 176.117 -0.013 0.000 1.102 264 I CA 1.057 62.370 61.300 0.021 0.000 1.385 264 I CB -0.785 37.126 38.000 -0.149 0.000 1.064 264 I HN 0.236 nan 8.210 nan 0.000 0.414 265 T N 0.975 115.530 114.554 0.002 0.000 2.652 265 T HA -0.231 4.119 4.350 0.001 0.000 0.267 265 T C 2.038 176.785 174.700 0.078 0.000 1.039 265 T CA 1.484 63.607 62.100 0.037 0.000 1.153 265 T CB -0.204 68.742 68.868 0.129 0.000 0.863 265 T HN 0.239 nan 8.240 nan 0.000 0.428 266 K N 0.573 121.034 120.400 0.103 0.000 2.009 266 K HA -0.200 4.121 4.320 0.001 0.000 0.210 266 K C 2.112 178.805 176.600 0.155 0.000 1.049 266 K CA 1.805 58.161 56.287 0.115 0.000 0.929 266 K CB -0.730 31.823 32.500 0.089 0.000 0.714 266 K HN 0.603 nan 8.250 nan 0.000 0.440 267 H N 0.458 119.557 119.070 0.049 0.000 2.265 267 H HA -0.155 4.401 4.556 0.001 0.000 0.293 267 H C 2.392 177.745 175.328 0.042 0.000 1.089 267 H CA 1.978 58.062 56.048 0.059 0.000 1.244 267 H CB -0.062 29.778 29.762 0.130 0.000 1.355 267 H HN 0.150 nan 8.280 nan 0.000 0.485 268 L N 0.174 121.414 121.223 0.027 0.000 2.081 268 L HA -0.243 4.098 4.340 0.001 0.000 0.212 268 L C 2.871 179.732 176.870 -0.014 0.000 1.080 268 L CA 1.514 56.272 54.840 -0.137 0.000 0.754 268 L CB -0.406 41.352 42.059 -0.502 0.000 0.893 268 L HN 0.291 nan 8.230 nan 0.000 0.433 269 R N -0.220 120.325 120.500 0.075 0.000 2.120 269 R HA -0.190 4.150 4.340 0.001 0.000 0.234 269 R C 2.247 178.600 176.300 0.088 0.000 1.123 269 R CA 1.424 57.605 56.100 0.134 0.000 0.975 269 R CB 0.035 30.425 30.300 0.149 0.000 0.866 269 R HN 0.467 nan 8.270 nan 0.000 0.446 270 Q N -1.071 118.775 119.800 0.078 0.000 2.204 270 Q HA -0.002 4.338 4.340 0.001 0.000 0.198 270 Q C 2.046 178.063 176.000 0.028 0.000 0.946 270 Q CA 0.951 56.794 55.803 0.067 0.000 0.859 270 Q CB 0.343 29.145 28.738 0.107 0.000 0.946 270 Q HN 0.122 nan 8.270 nan 0.000 0.474 271 V N 0.637 120.535 119.914 -0.028 0.000 2.370 271 V HA -0.195 3.926 4.120 0.001 0.000 0.252 271 V C 1.079 177.152 176.094 -0.035 0.000 1.068 271 V CA 1.641 63.887 62.300 -0.089 0.000 1.061 271 V CB -1.139 30.551 31.823 -0.221 0.000 0.656 271 V HN 0.662 nan 8.190 nan 0.000 0.455 272 G N -0.081 108.719 108.800 -0.000 0.000 2.898 272 G HA2 -0.075 3.885 3.960 0.001 0.000 0.267 272 G HA3 -0.075 3.885 3.960 0.001 0.000 0.267 272 G C -0.006 174.910 174.900 0.027 0.000 1.061 272 G CA 0.177 45.290 45.100 0.022 0.000 1.230 272 G HN 1.312 nan 8.290 nan 0.000 0.569 273 V N -0.850 119.100 119.914 0.060 0.000 3.176 273 V HA 0.529 4.649 4.120 0.001 0.000 0.332 273 V C 1.103 177.256 176.094 0.098 0.000 1.414 273 V CA 0.037 62.384 62.300 0.079 0.000 1.133 273 V CB 0.612 32.496 31.823 0.103 0.000 1.088 273 V HN 0.799 nan 8.190 nan 0.000 0.473 274 V N 2.885 122.846 119.914 0.077 0.000 2.557 274 V HA 0.467 4.587 4.120 0.001 0.000 0.301 274 V C 1.811 177.924 176.094 0.031 0.000 1.026 274 V CA 1.677 64.010 62.300 0.056 0.000 1.137 274 V CB -0.112 31.735 31.823 0.039 0.000 0.917 274 V HN 1.037 nan 8.190 nan 0.000 0.484 275 G N 4.015 112.824 108.800 0.015 0.000 2.205 275 G HA2 -0.235 3.726 3.960 0.001 0.000 0.261 275 G HA3 -0.235 3.726 3.960 0.001 0.000 0.261 275 G C 0.255 175.146 174.900 -0.016 0.000 0.980 275 G CA 0.507 45.599 45.100 -0.014 0.000 0.632 275 G HN 0.633 nan 8.290 nan 0.000 0.533 276 K N -0.805 119.617 120.400 0.037 0.000 2.288 276 K HA 0.770 5.091 4.320 0.001 0.000 0.234 276 K C -0.603 176.132 176.600 0.224 0.000 1.037 276 K CA -1.009 55.315 56.287 0.062 0.000 0.914 276 K CB 0.935 33.478 32.500 0.072 0.000 1.197 276 K HN -0.054 nan 8.250 nan 0.000 0.471 277 F N 0.614 120.562 119.950 -0.003 0.000 2.440 277 F HA 0.415 4.943 4.527 0.001 0.000 0.328 277 F C -0.003 175.826 175.800 0.048 0.000 1.070 277 F CA -1.352 56.652 58.000 0.007 0.000 1.011 277 F CB 1.624 40.618 39.000 -0.010 0.000 1.226 277 F HN -0.007 nan 8.300 nan 0.000 0.491 278 V N 1.757 121.805 119.914 0.224 0.000 2.588 278 V HA 0.404 4.525 4.120 0.001 0.000 0.304 278 V C -0.826 175.312 176.094 0.072 0.000 1.042 278 V CA -0.816 61.539 62.300 0.092 0.000 0.877 278 V CB 1.983 33.863 31.823 0.095 0.000 0.996 278 V HN 0.748 nan 8.190 nan 0.000 0.425 279 E N 3.370 123.535 120.200 -0.059 0.000 2.256 279 E HA 0.593 4.943 4.350 0.001 0.000 0.268 279 E C -1.688 174.772 176.600 -0.234 0.000 0.877 279 E CA -0.557 55.855 56.400 0.020 0.000 0.757 279 E CB 1.658 31.518 29.700 0.267 0.000 1.183 279 E HN 0.417 nan 8.360 nan 0.000 0.418 280 F N 3.887 123.639 119.950 -0.331 0.000 2.378 280 F HA 0.588 5.116 4.527 0.001 0.000 0.325 280 F C 0.162 176.029 175.800 0.110 0.000 1.097 280 F CA -0.099 57.723 58.000 -0.297 0.000 1.079 280 F CB 0.853 39.342 39.000 -0.851 0.000 1.240 280 F HN 0.477 nan 8.300 nan 0.000 0.519 281 F N -1.417 118.510 119.950 -0.038 0.000 2.900 281 F HA 0.742 5.270 4.527 0.001 0.000 0.321 281 F C -0.484 175.333 175.800 0.028 0.000 1.160 281 F CA -1.001 57.071 58.000 0.119 0.000 0.890 281 F CB 1.233 40.370 39.000 0.228 0.000 1.334 281 F HN 0.897 nan 8.300 nan 0.000 0.459 282 G N 1.029 109.892 108.800 0.104 0.000 2.617 282 G HA2 0.093 4.054 3.960 0.001 0.000 0.686 282 G HA3 0.093 4.054 3.960 0.001 0.000 0.686 282 G C -2.571 172.313 174.900 -0.026 0.000 1.214 282 G CA -0.482 44.550 45.100 -0.112 0.000 0.796 282 G HN 0.695 nan 8.290 nan 0.000 0.654 283 P HA -0.110 nan 4.420 nan 0.000 0.223 283 P C 1.840 179.114 177.300 -0.042 0.000 1.144 283 P CA 1.873 64.986 63.100 0.022 0.000 0.783 283 P CB -0.127 31.585 31.700 0.021 0.000 0.771 284 G N 0.491 109.239 108.800 -0.088 0.000 2.422 284 G HA2 -0.177 3.783 3.960 0.001 0.000 0.218 284 G HA3 -0.177 3.783 3.960 0.001 0.000 0.218 284 G C 1.643 176.458 174.900 -0.142 0.000 1.140 284 G CA 0.477 45.521 45.100 -0.093 0.000 0.775 284 G HN 0.178 nan 8.290 nan 0.000 0.545 285 V N 1.609 121.362 119.914 -0.269 0.000 2.546 285 V HA -0.196 3.925 4.120 0.001 0.000 0.254 285 V C 3.172 179.102 176.094 -0.273 0.000 1.076 285 V CA 1.693 63.756 62.300 -0.395 0.000 1.087 285 V CB -0.865 30.331 31.823 -1.046 0.000 0.674 285 V HN 0.455 nan 8.190 nan 0.000 0.470 286 A N -0.910 121.811 122.820 -0.166 0.000 2.172 286 A HA -0.174 4.146 4.320 0.001 0.000 0.216 286 A C 2.082 179.639 177.584 -0.045 0.000 1.154 286 A CA 1.196 53.210 52.037 -0.038 0.000 0.701 286 A CB -0.329 18.688 19.000 0.028 0.000 0.789 286 A HN 0.662 nan 8.150 nan 0.000 0.465 287 Q N -1.248 118.510 119.800 -0.072 0.000 2.319 287 Q HA 0.222 4.563 4.340 0.001 0.000 0.202 287 Q C -0.969 174.983 176.000 -0.080 0.000 0.896 287 Q CA -0.197 55.571 55.803 -0.059 0.000 0.942 287 Q CB 0.371 29.079 28.738 -0.051 0.000 1.083 287 Q HN 0.383 nan 8.270 nan 0.000 0.510 288 L N 1.863 123.015 121.223 -0.117 0.000 2.265 288 L HA 0.186 4.527 4.340 0.001 0.000 0.289 288 L C 0.439 177.201 176.870 -0.180 0.000 1.033 288 L CA -0.223 54.520 54.840 -0.163 0.000 0.814 288 L CB 1.208 43.134 42.059 -0.222 0.000 1.203 288 L HN 0.037 nan 8.230 nan 0.000 0.423 289 S N 3.285 118.893 115.700 -0.153 0.000 2.587 289 S HA 0.156 4.626 4.470 0.001 0.000 0.260 289 S C 1.512 175.956 174.600 -0.261 0.000 1.353 289 S CA -0.639 57.475 58.200 -0.144 0.000 0.995 289 S CB 0.672 63.827 63.200 -0.074 0.000 0.912 289 S HN 0.403 nan 8.310 nan 0.000 0.568 290 I N 1.228 121.606 120.570 -0.319 0.000 2.264 290 I HA -0.154 4.017 4.170 0.001 0.000 0.248 290 I C 2.801 178.658 176.117 -0.432 0.000 1.111 290 I CA 1.477 62.466 61.300 -0.519 0.000 1.382 290 I CB -2.452 34.931 38.000 -1.029 0.000 1.060 290 I HN 0.869 nan 8.210 nan 0.000 0.418 291 A N 0.860 123.515 122.820 -0.275 0.000 1.865 291 A HA -0.232 4.088 4.320 0.001 0.000 0.217 291 A C 2.034 179.486 177.584 -0.220 0.000 1.191 291 A CA 2.101 54.036 52.037 -0.170 0.000 0.623 291 A CB -0.694 18.283 19.000 -0.038 0.000 0.826 291 A HN 0.384 nan 8.150 nan 0.000 0.444 292 D N -0.471 119.788 120.400 -0.236 0.000 2.104 292 D HA -0.151 4.489 4.640 0.001 0.000 0.194 292 D C 2.195 178.255 176.300 -0.399 0.000 0.994 292 D CA 1.386 55.230 54.000 -0.260 0.000 0.830 292 D CB -0.429 40.231 40.800 -0.234 0.000 0.959 292 D HN 0.479 nan 8.370 nan 0.000 0.452 293 R N 0.967 121.108 120.500 -0.597 0.000 2.083 293 R HA -0.096 4.244 4.340 0.001 0.000 0.237 293 R C 2.427 178.295 176.300 -0.720 0.000 1.137 293 R CA 1.366 56.823 56.100 -1.072 0.000 0.951 293 R CB -0.424 29.103 30.300 -1.288 0.000 0.851 293 R HN 0.114 nan 8.270 nan 0.000 0.434 294 A N 0.706 123.249 122.820 -0.462 0.000 1.883 294 A HA -0.194 4.127 4.320 0.001 0.000 0.217 294 A C 2.257 179.734 177.584 -0.180 0.000 1.186 294 A CA 2.163 54.039 52.037 -0.268 0.000 0.624 294 A CB -1.026 17.851 19.000 -0.205 0.000 0.822 294 A HN 0.324 nan 8.150 nan 0.000 0.444 295 T N 0.538 114.983 114.554 -0.181 0.000 2.684 295 T HA -0.146 4.205 4.350 0.001 0.000 0.267 295 T C 1.817 176.480 174.700 -0.061 0.000 1.036 295 T CA 1.605 63.641 62.100 -0.107 0.000 1.148 295 T CB -0.479 68.323 68.868 -0.110 0.000 0.863 295 T HN 0.433 nan 8.240 nan 0.000 0.436 296 I N 1.389 121.890 120.570 -0.115 0.000 2.099 296 I HA -0.229 3.942 4.170 0.001 0.000 0.239 296 I C 3.026 179.240 176.117 0.162 0.000 1.066 296 I CA 1.434 62.738 61.300 0.008 0.000 1.324 296 I CB -0.736 37.202 38.000 -0.102 0.000 1.037 296 I HN 0.213 nan 8.210 nan 0.000 0.401 297 A N 0.959 123.835 122.820 0.093 0.000 1.908 297 A HA -0.290 4.031 4.320 0.001 0.000 0.218 297 A C 2.047 179.707 177.584 0.127 0.000 1.181 297 A CA 2.408 54.557 52.037 0.187 0.000 0.627 297 A CB -0.961 18.117 19.000 0.131 0.000 0.818 297 A HN 0.494 nan 8.150 nan 0.000 0.445 298 N N -0.510 118.233 118.700 0.071 0.000 2.272 298 N HA -0.096 4.644 4.740 0.001 0.000 0.185 298 N C 1.374 176.925 175.510 0.068 0.000 1.014 298 N CA 1.551 54.652 53.050 0.085 0.000 0.870 298 N CB -0.366 38.154 38.487 0.056 0.000 0.975 298 N HN 0.548 nan 8.380 nan 0.000 0.433 299 M N -0.276 119.355 119.600 0.053 0.000 2.563 299 M HA 0.082 4.562 4.480 0.001 0.000 0.231 299 M C 1.840 177.927 176.300 -0.355 0.000 1.136 299 M CA -0.098 55.197 55.300 -0.008 0.000 1.026 299 M CB -0.068 32.604 32.600 0.120 0.000 1.597 299 M HN 0.371 nan 8.290 nan 0.000 0.495 300 C N 0.101 119.125 119.300 -0.460 0.000 2.419 300 C HA 0.012 4.472 4.460 0.001 0.000 0.281 300 C C -0.165 174.363 174.990 -0.770 0.000 1.336 300 C CA 0.297 58.632 59.018 -1.139 0.000 1.770 300 C CB -2.066 25.473 27.740 -0.336 0.000 1.929 300 C HN 0.329 nan 8.230 nan 0.000 0.509 301 P HA -0.152 nan 4.420 nan 0.000 0.222 301 P C 1.492 178.682 177.300 -0.183 0.000 1.147 301 P CA 1.805 64.790 63.100 -0.193 0.000 0.790 301 P CB -0.270 31.377 31.700 -0.087 0.000 0.780 302 E N 0.091 120.154 120.200 -0.228 0.000 2.152 302 E HA -0.160 4.191 4.350 0.001 0.000 0.192 302 E C 1.098 177.701 176.600 0.005 0.000 0.983 302 E CA 0.772 57.126 56.400 -0.078 0.000 0.818 302 E CB -0.202 29.501 29.700 0.005 0.000 0.758 302 E HN 0.379 nan 8.360 nan 0.000 0.467 303 Y N -2.579 117.754 120.300 0.056 0.000 2.555 303 Y HA 0.527 5.077 4.550 0.001 0.000 0.259 303 Y C 1.059 176.985 175.900 0.044 0.000 1.179 303 Y CA -0.200 57.931 58.100 0.053 0.000 1.230 303 Y CB -0.006 38.493 38.460 0.064 0.000 1.146 303 Y HN 0.013 nan 8.280 nan 0.000 0.526 304 G N 0.651 109.440 108.800 -0.019 0.000 2.203 304 G HA2 -0.201 3.760 3.960 0.001 0.000 0.263 304 G HA3 -0.201 3.760 3.960 0.001 0.000 0.263 304 G C 0.347 175.263 174.900 0.028 0.000 1.012 304 G CA 0.139 45.237 45.100 -0.003 0.000 0.749 304 G HN 0.979 nan 8.290 nan 0.000 0.512 305 A N -0.967 121.880 122.820 0.045 0.000 2.302 305 A HA 0.783 5.104 4.320 0.001 0.000 0.285 305 A C 1.504 179.091 177.584 0.006 0.000 1.105 305 A CA 0.995 53.098 52.037 0.111 0.000 0.816 305 A CB 0.603 19.776 19.000 0.287 0.000 1.067 305 A HN 0.552 nan 8.150 nan 0.000 0.489 306 T N 0.898 115.450 114.554 -0.004 0.000 2.737 306 T HA 0.253 4.604 4.350 0.001 0.000 0.265 306 T C 0.796 175.383 174.700 -0.189 0.000 1.038 306 T CA 1.906 63.896 62.100 -0.183 0.000 1.144 306 T CB -0.168 68.546 68.868 -0.257 0.000 0.866 306 T HN 1.331 nan 8.240 nan 0.000 0.434 307 A N 0.021 122.767 122.820 -0.123 0.000 2.589 307 A HA 0.601 4.921 4.320 0.001 0.000 0.296 307 A C -0.913 176.673 177.584 0.004 0.000 1.062 307 A CA -0.723 51.243 52.037 -0.117 0.000 0.686 307 A CB 1.409 20.202 19.000 -0.346 0.000 1.282 307 A HN 0.039 nan 8.150 nan 0.000 0.404 308 T N 2.000 116.662 114.554 0.180 0.000 2.977 308 T HA 0.469 4.819 4.350 0.001 0.000 0.346 308 T C -1.006 173.938 174.700 0.408 0.000 1.140 308 T CA 0.057 62.354 62.100 0.329 0.000 1.040 308 T CB -0.219 68.947 68.868 0.496 0.000 1.046 308 T HN 0.468 nan 8.240 nan 0.000 0.494 309 F N 3.115 123.136 119.950 0.118 0.000 2.385 309 F HA 0.671 5.199 4.527 0.001 0.000 0.336 309 F C -1.060 174.807 175.800 0.112 0.000 1.100 309 F CA -1.546 56.540 58.000 0.144 0.000 1.116 309 F CB 0.629 39.652 39.000 0.038 0.000 1.166 309 F HN 0.404 nan 8.300 nan 0.000 0.511 310 F N 5.990 125.662 119.950 -0.465 0.000 2.513 310 F HA 0.403 4.931 4.527 0.001 0.000 0.358 310 F C -2.271 173.104 175.800 -0.708 0.000 1.118 310 F CA -2.473 55.313 58.000 -0.356 0.000 1.037 310 F CB 0.894 39.718 39.000 -0.294 0.000 1.276 310 F HN 0.315 nan 8.300 nan 0.000 0.446 311 P HA -0.042 nan 4.420 nan 0.000 0.266 311 P C -0.361 176.778 177.300 -0.268 0.000 1.193 311 P CA -0.034 62.822 63.100 -0.406 0.000 0.770 311 P CB 0.547 32.017 31.700 -0.383 0.000 0.836 312 V N 4.082 123.889 119.914 -0.180 0.000 2.458 312 V HA 0.035 4.156 4.120 0.001 0.000 0.287 312 V C 0.796 176.678 176.094 -0.354 0.000 1.009 312 V CA 0.803 63.033 62.300 -0.116 0.000 1.091 312 V CB -0.574 31.290 31.823 0.067 0.000 0.960 312 V HN 0.689 nan 8.190 nan 0.000 0.476 313 D N 3.464 123.703 120.400 -0.269 0.000 2.689 313 D HA 0.218 4.859 4.640 0.001 0.000 0.255 313 D C 0.858 177.147 176.300 -0.018 0.000 1.113 313 D CA -0.723 53.009 54.000 -0.446 0.000 1.115 313 D CB 1.221 41.910 40.800 -0.186 0.000 1.334 313 D HN 0.217 nan 8.370 nan 0.000 0.621 314 E N -0.440 119.840 120.200 0.134 0.000 2.153 314 E HA -0.086 4.264 4.350 0.001 0.000 0.194 314 E C 1.792 178.476 176.600 0.140 0.000 0.988 314 E CA 1.021 57.573 56.400 0.255 0.000 0.811 314 E CB -0.408 29.423 29.700 0.219 0.000 0.746 314 E HN 0.339 nan 8.360 nan 0.000 0.466 315 V N -0.013 119.957 119.914 0.093 0.000 2.295 315 V HA -0.252 3.868 4.120 0.001 0.000 0.246 315 V C 2.415 178.554 176.094 0.075 0.000 1.049 315 V CA 1.866 64.205 62.300 0.065 0.000 1.024 315 V CB -0.849 30.989 31.823 0.025 0.000 0.648 315 V HN 0.346 nan 8.190 nan 0.000 0.447 316 S N -0.304 115.432 115.700 0.059 0.000 2.359 316 S HA -0.178 4.293 4.470 0.001 0.000 0.224 316 S C 1.963 176.637 174.600 0.123 0.000 1.035 316 S CA 1.662 59.897 58.200 0.058 0.000 1.018 316 S CB -0.251 62.964 63.200 0.025 0.000 0.876 316 S HN 0.392 nan 8.310 nan 0.000 0.448 317 I N 1.602 122.261 120.570 0.147 0.000 2.202 317 I HA -0.097 4.074 4.170 0.001 0.000 0.242 317 I C 2.366 178.527 176.117 0.074 0.000 1.091 317 I CA 1.448 62.822 61.300 0.123 0.000 1.368 317 I CB -1.271 36.814 38.000 0.142 0.000 1.058 317 I HN 0.354 nan 8.210 nan 0.000 0.410 318 K N -0.332 120.114 120.400 0.076 0.000 2.211 318 K HA -0.248 4.073 4.320 0.001 0.000 0.204 318 K C 2.167 178.778 176.600 0.018 0.000 1.047 318 K CA 1.400 57.707 56.287 0.035 0.000 0.935 318 K CB -0.335 32.189 32.500 0.040 0.000 0.728 318 K HN 0.250 nan 8.250 nan 0.000 0.452 319 Y N 1.452 121.714 120.300 -0.063 0.000 2.242 319 Y HA -0.135 4.416 4.550 0.001 0.000 0.291 319 Y C 1.741 177.549 175.900 -0.152 0.000 1.137 319 Y CA 1.111 59.145 58.100 -0.109 0.000 1.181 319 Y CB -0.078 38.317 38.460 -0.108 0.000 0.989 319 Y HN -0.062 nan 8.280 nan 0.000 0.527 320 L N -1.393 119.786 121.223 -0.072 0.000 2.046 320 L HA -0.237 4.103 4.340 0.001 0.000 0.208 320 L C 2.284 179.036 176.870 -0.197 0.000 1.077 320 L CA 1.173 55.924 54.840 -0.148 0.000 0.747 320 L CB -0.765 41.266 42.059 -0.047 0.000 0.896 320 L HN 0.094 nan 8.230 nan 0.000 0.432 321 V N -0.532 119.296 119.914 -0.144 0.000 2.358 321 V HA -0.283 3.837 4.120 0.001 0.000 0.246 321 V C 2.376 178.362 176.094 -0.180 0.000 1.047 321 V CA 1.582 63.805 62.300 -0.128 0.000 1.035 321 V CB -0.524 31.247 31.823 -0.086 0.000 0.658 321 V HN 0.498 nan 8.190 nan 0.000 0.452 322 Q N -0.808 118.839 119.800 -0.255 0.000 2.226 322 Q HA -0.190 4.150 4.340 0.001 0.000 0.204 322 Q C 2.192 177.962 176.000 -0.383 0.000 0.975 322 Q CA 1.766 57.388 55.803 -0.301 0.000 0.866 322 Q CB -0.274 28.244 28.738 -0.367 0.000 0.915 322 Q HN 0.520 nan 8.270 nan 0.000 0.440 323 T N -1.548 112.680 114.554 -0.544 0.000 3.113 323 T HA 0.122 4.472 4.350 0.001 0.000 0.256 323 T C 1.044 175.662 174.700 -0.136 0.000 1.131 323 T CA 0.904 62.602 62.100 -0.672 0.000 1.074 323 T CB -0.001 68.274 68.868 -0.988 0.000 0.944 323 T HN 0.632 nan 8.240 nan 0.000 0.516 324 G N 1.244 110.011 108.800 -0.056 0.000 2.179 324 G HA2 -0.178 3.783 3.960 0.001 0.000 0.220 324 G HA3 -0.178 3.783 3.960 0.001 0.000 0.220 324 G C 0.169 175.075 174.900 0.009 0.000 0.990 324 G CA -0.560 44.582 45.100 0.070 0.000 0.646 324 G HN 0.363 nan 8.290 nan 0.000 0.517 325 R N 1.331 121.813 120.500 -0.030 0.000 2.679 325 R HA 0.324 4.665 4.340 0.001 0.000 0.268 325 R C 0.355 176.621 176.300 -0.057 0.000 1.044 325 R CA 0.504 56.577 56.100 -0.045 0.000 1.105 325 R CB 0.090 30.348 30.300 -0.070 0.000 0.989 325 R HN 0.719 nan 8.270 nan 0.000 0.447 326 D N 0.662 121.028 120.400 -0.057 0.000 2.264 326 D HA 0.035 4.676 4.640 0.001 0.000 0.250 326 D C 0.677 176.950 176.300 -0.046 0.000 1.113 326 D CA -0.469 53.499 54.000 -0.054 0.000 0.871 326 D CB 0.871 41.638 40.800 -0.054 0.000 1.167 326 D HN 0.232 nan 8.370 nan 0.000 0.447 327 E N 2.104 122.277 120.200 -0.045 0.000 2.110 327 E HA -0.356 3.995 4.350 0.001 0.000 0.225 327 E C 2.045 178.624 176.600 -0.035 0.000 1.063 327 E CA 2.371 58.746 56.400 -0.041 0.000 0.906 327 E CB -0.902 28.776 29.700 -0.038 0.000 0.795 327 E HN 0.754 nan 8.360 nan 0.000 0.479 328 S N 0.984 116.666 115.700 -0.030 0.000 2.359 328 S HA -0.209 4.262 4.470 0.001 0.000 0.223 328 S C 1.836 176.426 174.600 -0.016 0.000 1.039 328 S CA 1.447 59.634 58.200 -0.022 0.000 1.042 328 S CB -0.275 62.915 63.200 -0.017 0.000 0.915 328 S HN 0.054 nan 8.310 nan 0.000 0.439 329 K N 1.139 121.529 120.400 -0.016 0.000 2.034 329 K HA -0.050 4.271 4.320 0.001 0.000 0.214 329 K C 2.324 178.919 176.600 -0.008 0.000 1.051 329 K CA 1.501 57.784 56.287 -0.007 0.000 0.931 329 K CB -1.404 31.083 32.500 -0.023 0.000 0.715 329 K HN 0.421 nan 8.250 nan 0.000 0.446 330 V N 1.827 121.728 119.914 -0.023 0.000 2.332 330 V HA -0.231 3.890 4.120 0.001 0.000 0.248 330 V C 2.577 178.652 176.094 -0.032 0.000 1.055 330 V CA 1.768 64.054 62.300 -0.024 0.000 1.038 330 V CB -0.430 31.374 31.823 -0.031 0.000 0.651 330 V HN 0.402 nan 8.190 nan 0.000 0.450 331 K N -0.324 120.051 120.400 -0.041 0.000 2.152 331 K HA -0.288 4.033 4.320 0.001 0.000 0.206 331 K C 2.209 178.766 176.600 -0.071 0.000 1.048 331 K CA 1.889 58.139 56.287 -0.062 0.000 0.933 331 K CB -0.021 32.447 32.500 -0.054 0.000 0.721 331 K HN 0.382 nan 8.250 nan 0.000 0.447 332 Q N 0.742 120.517 119.800 -0.043 0.000 2.187 332 Q HA 0.049 4.389 4.340 0.001 0.000 0.199 332 Q C 1.795 177.746 176.000 -0.081 0.000 0.957 332 Q CA 0.944 56.715 55.803 -0.054 0.000 0.857 332 Q CB 0.082 28.835 28.738 0.025 0.000 0.929 332 Q HN 0.369 nan 8.270 nan 0.000 0.453 333 I N -0.397 120.161 120.570 -0.020 0.000 2.202 333 I HA -0.271 3.899 4.170 0.001 0.000 0.242 333 I C 2.431 178.557 176.117 0.014 0.000 1.091 333 I CA 1.232 62.552 61.300 0.033 0.000 1.368 333 I CB -0.275 37.759 38.000 0.056 0.000 1.058 333 I HN 0.191 nan 8.210 nan 0.000 0.410 334 R N 1.503 121.960 120.500 -0.071 0.000 2.096 334 R HA -0.220 4.120 4.340 0.001 0.000 0.235 334 R C 2.344 178.478 176.300 -0.277 0.000 1.127 334 R CA 1.600 57.570 56.100 -0.217 0.000 0.968 334 R CB -0.141 29.958 30.300 -0.334 0.000 0.861 334 R HN 0.199 nan 8.270 nan 0.000 0.440 335 K N -0.509 119.763 120.400 -0.212 0.000 2.057 335 K HA -0.235 4.086 4.320 0.001 0.000 0.207 335 K C 2.019 178.468 176.600 -0.253 0.000 1.049 335 K CA 1.674 57.830 56.287 -0.217 0.000 0.931 335 K CB -0.333 32.063 32.500 -0.174 0.000 0.714 335 K HN 0.223 nan 8.250 nan 0.000 0.440 336 Y N 1.678 121.752 120.300 -0.376 0.000 2.089 336 Y HA -0.211 4.340 4.550 0.001 0.000 0.282 336 Y C 1.813 177.536 175.900 -0.295 0.000 1.139 336 Y CA 1.557 59.371 58.100 -0.475 0.000 1.123 336 Y CB -0.600 37.571 38.460 -0.482 0.000 0.980 336 Y HN -0.014 nan 8.280 nan 0.000 0.493 337 L N 0.161 121.145 121.223 -0.399 0.000 2.043 337 L HA -0.336 4.004 4.340 0.001 0.000 0.212 337 L C 2.626 179.385 176.870 -0.185 0.000 1.075 337 L CA 2.021 56.690 54.840 -0.286 0.000 0.752 337 L CB -0.731 41.423 42.059 0.157 0.000 0.891 337 L HN 0.348 nan 8.230 nan 0.000 0.432 338 Q N -0.733 118.969 119.800 -0.163 0.000 2.084 338 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 338 Q C 2.404 178.327 176.000 -0.127 0.000 0.978 338 Q CA 1.664 57.413 55.803 -0.089 0.000 0.844 338 Q CB -0.198 28.441 28.738 -0.164 0.000 0.898 338 Q HN 0.583 nan 8.270 nan 0.000 0.426 339 A N -0.163 122.495 122.820 -0.270 0.000 1.898 339 A HA -0.101 4.219 4.320 0.001 0.000 0.216 339 A C 2.089 179.542 177.584 -0.219 0.000 1.181 339 A CA 1.243 53.131 52.037 -0.249 0.000 0.620 339 A CB -0.536 18.214 19.000 -0.417 0.000 0.819 339 A HN 0.299 nan 8.150 nan 0.000 0.442 340 V N -0.693 118.970 119.914 -0.418 0.000 3.306 340 V HA 0.333 4.453 4.120 0.001 0.000 0.264 340 V C 1.356 177.452 176.094 0.004 0.000 1.149 340 V CA 1.521 63.698 62.300 -0.205 0.000 1.143 340 V CB -0.453 31.156 31.823 -0.357 0.000 0.767 340 V HN 1.361 nan 8.190 nan 0.000 0.476 341 G N 0.370 109.157 108.800 -0.020 0.000 2.142 341 G HA2 -0.277 3.683 3.960 0.001 0.000 0.225 341 G HA3 -0.277 3.683 3.960 0.001 0.000 0.225 341 G C 0.335 175.190 174.900 -0.074 0.000 1.015 341 G CA 0.481 45.611 45.100 0.051 0.000 0.716 341 G HN 0.469 nan 8.290 nan 0.000 0.508 342 M N -0.645 118.948 119.600 -0.011 0.000 2.405 342 M HA 0.406 4.887 4.480 0.001 0.000 0.292 342 M C 0.277 176.764 176.300 0.312 0.000 1.111 342 M CA -0.283 55.068 55.300 0.085 0.000 0.979 342 M CB 0.513 33.163 32.600 0.084 0.000 1.426 342 M HN 0.238 nan 8.290 nan 0.000 0.509 343 F N 1.220 121.252 119.950 0.137 0.000 2.411 343 F HA 0.513 5.041 4.527 0.001 0.000 0.350 343 F C 0.249 176.114 175.800 0.109 0.000 1.114 343 F CA -0.753 57.301 58.000 0.089 0.000 1.135 343 F CB 0.552 39.551 39.000 -0.001 0.000 1.120 343 F HN -0.100 nan 8.300 nan 0.000 0.495 344 R N 3.448 123.390 120.500 -0.930 0.000 2.404 344 R HA 0.310 4.650 4.340 0.001 0.000 0.291 344 R C -1.467 174.294 176.300 -0.897 0.000 1.025 344 R CA -0.309 55.241 56.100 -0.917 0.000 0.991 344 R CB 0.727 30.304 30.300 -1.204 0.000 1.053 344 R HN 0.612 nan 8.270 nan 0.000 0.479 345 D N 3.266 123.325 120.400 -0.568 0.000 2.378 345 D HA 0.106 4.747 4.640 0.001 0.000 0.265 345 D C -0.048 176.118 176.300 -0.223 0.000 1.229 345 D CA -0.270 53.561 54.000 -0.281 0.000 0.914 345 D CB 0.050 40.817 40.800 -0.054 0.000 1.140 345 D HN 0.554 nan 8.370 nan 0.000 0.516 346 Y N 1.055 121.308 120.300 -0.079 0.000 2.256 346 Y HA -0.225 4.326 4.550 0.001 0.000 0.288 346 Y C 2.615 178.525 175.900 0.017 0.000 1.155 346 Y CA 1.352 59.439 58.100 -0.022 0.000 1.203 346 Y CB -0.061 38.385 38.460 -0.023 0.000 0.980 346 Y HN 0.379 nan 8.280 nan 0.000 0.530 347 S N -0.881 114.908 115.700 0.148 0.000 2.547 347 S HA -0.121 4.349 4.470 0.001 0.000 0.235 347 S C 0.341 174.992 174.600 0.085 0.000 0.980 347 S CA 0.663 58.925 58.200 0.103 0.000 0.941 347 S CB -0.265 62.982 63.200 0.078 0.000 0.763 347 S HN 0.309 nan 8.310 nan 0.000 0.532 348 D N 1.714 122.162 120.400 0.079 0.000 2.414 348 D HA 0.407 5.048 4.640 0.001 0.000 0.232 348 D C -2.229 174.126 176.300 0.092 0.000 1.070 348 D CA -2.519 51.524 54.000 0.072 0.000 0.839 348 D CB 2.019 42.852 40.800 0.054 0.000 1.079 348 D HN -0.017 nan 8.370 nan 0.000 0.521 349 P HA -0.055 nan 4.420 nan 0.000 0.224 349 P C 1.376 178.734 177.300 0.097 0.000 1.157 349 P CA 0.616 63.793 63.100 0.128 0.000 0.799 349 P CB 0.181 31.951 31.700 0.118 0.000 0.809 350 S N -0.306 115.439 115.700 0.074 0.000 2.419 350 S HA -0.249 4.221 4.470 0.001 0.000 0.235 350 S C 2.128 176.757 174.600 0.047 0.000 1.019 350 S CA 1.090 59.324 58.200 0.057 0.000 0.982 350 S CB -1.157 62.077 63.200 0.057 0.000 0.789 350 S HN 0.183 nan 8.310 nan 0.000 0.490 351 Q N 0.934 120.768 119.800 0.057 0.000 2.331 351 Q HA -0.007 4.334 4.340 0.001 0.000 0.203 351 Q C -0.493 175.535 176.000 0.046 0.000 0.944 351 Q CA 0.258 56.096 55.803 0.059 0.000 0.892 351 Q CB -0.129 28.653 28.738 0.074 0.000 0.983 351 Q HN 0.487 nan 8.270 nan 0.000 0.482 352 D N 3.087 123.509 120.400 0.036 0.000 2.583 352 D HA -0.021 4.620 4.640 0.001 0.000 0.232 352 D C -2.144 174.051 176.300 -0.174 0.000 1.128 352 D CA -0.394 53.590 54.000 -0.028 0.000 0.859 352 D CB 0.608 41.443 40.800 0.057 0.000 1.169 352 D HN 0.231 nan 8.370 nan 0.000 0.481 353 P HA 0.060 nan 4.420 nan 0.000 0.275 353 P C -0.266 176.634 177.300 -0.667 0.000 1.270 353 P CA -0.323 62.414 63.100 -0.605 0.000 0.791 353 P CB 0.503 31.638 31.700 -0.942 0.000 1.089 354 D N 0.176 120.276 120.400 -0.499 0.000 2.505 354 D HA 0.220 4.861 4.640 0.001 0.000 0.242 354 D C -0.605 175.622 176.300 -0.121 0.000 1.136 354 D CA -0.429 53.437 54.000 -0.224 0.000 0.954 354 D CB -0.859 39.911 40.800 -0.051 0.000 1.002 354 D HN -0.014 nan 8.370 nan 0.000 0.512 355 F N 0.480 120.436 119.950 0.010 0.000 2.532 355 F HA 0.102 4.630 4.527 0.001 0.000 0.323 355 F C 2.366 178.279 175.800 0.189 0.000 1.234 355 F CA -0.176 57.881 58.000 0.095 0.000 1.323 355 F CB 0.234 39.200 39.000 -0.057 0.000 1.183 355 F HN 0.118 nan 8.300 nan 0.000 0.589 356 T N -1.135 113.695 114.554 0.459 0.000 2.851 356 T HA -0.083 4.268 4.350 0.001 0.000 0.262 356 T C 0.363 175.164 174.700 0.168 0.000 1.043 356 T CA 0.941 63.185 62.100 0.241 0.000 1.140 356 T CB -0.115 68.870 68.868 0.194 0.000 0.872 356 T HN 0.525 nan 8.240 nan 0.000 0.446 357 Q N -0.147 119.749 119.800 0.160 0.000 2.435 357 Q HA 0.525 4.865 4.340 0.001 0.000 0.282 357 Q C -2.387 173.640 176.000 0.044 0.000 1.020 357 Q CA -0.584 55.266 55.803 0.077 0.000 0.820 357 Q CB 2.323 31.077 28.738 0.028 0.000 1.436 357 Q HN 0.053 nan 8.270 nan 0.000 0.395 358 V N 3.291 123.213 119.914 0.014 0.000 2.380 358 V HA 0.362 4.482 4.120 0.001 0.000 0.286 358 V C -0.082 175.928 176.094 -0.140 0.000 1.015 358 V CA -0.674 61.615 62.300 -0.017 0.000 0.834 358 V CB 1.256 33.160 31.823 0.135 0.000 1.009 358 V HN 0.600 nan 8.190 nan 0.000 0.428 359 V N 2.103 121.825 119.914 -0.320 0.000 2.743 359 V HA 0.794 4.914 4.120 0.001 0.000 0.301 359 V C -0.215 175.537 176.094 -0.570 0.000 1.057 359 V CA -0.428 61.593 62.300 -0.466 0.000 1.006 359 V CB 1.737 33.106 31.823 -0.757 0.000 1.024 359 V HN 0.922 nan 8.190 nan 0.000 0.473 360 E N 2.140 122.100 120.200 -0.401 0.000 2.378 360 E HA 0.802 5.153 4.350 0.001 0.000 0.265 360 E C -1.758 174.715 176.600 -0.211 0.000 0.932 360 E CA -1.045 55.154 56.400 -0.334 0.000 0.795 360 E CB 2.241 31.827 29.700 -0.189 0.000 1.296 360 E HN 0.849 nan 8.360 nan 0.000 0.438 361 L N 2.438 123.601 121.223 -0.099 0.000 2.614 361 L HA 0.393 4.733 4.340 0.001 0.000 0.264 361 L C -2.052 174.820 176.870 0.003 0.000 0.940 361 L CA -0.449 54.404 54.840 0.021 0.000 0.903 361 L CB 1.964 44.166 42.059 0.240 0.000 1.306 361 L HN 0.552 nan 8.230 nan 0.000 0.410 362 D N 4.744 125.135 120.400 -0.014 0.000 2.317 362 D HA 0.265 4.905 4.640 0.001 0.000 0.234 362 D C 1.251 177.551 176.300 -0.000 0.000 1.112 362 D CA -0.219 53.771 54.000 -0.017 0.000 0.840 362 D CB 1.365 42.151 40.800 -0.023 0.000 1.078 362 D HN 0.749 nan 8.370 nan 0.000 0.486 363 L N 3.900 125.121 121.223 -0.004 0.000 2.197 363 L HA -0.239 4.102 4.340 0.001 0.000 0.215 363 L C 2.413 179.291 176.870 0.014 0.000 1.095 363 L CA 1.198 56.039 54.840 0.002 0.000 0.764 363 L CB -0.424 41.624 42.059 -0.018 0.000 0.897 363 L HN 0.485 nan 8.230 nan 0.000 0.436 364 K N -1.007 119.391 120.400 -0.004 0.000 2.362 364 K HA -0.103 4.217 4.320 0.001 0.000 0.200 364 K C 1.657 178.354 176.600 0.160 0.000 1.046 364 K CA 1.420 57.731 56.287 0.040 0.000 0.952 364 K CB -0.394 32.096 32.500 -0.017 0.000 0.753 364 K HN 0.077 nan 8.250 nan 0.000 0.466 365 T N 1.353 115.950 114.554 0.071 0.000 2.951 365 T HA 0.034 4.384 4.350 0.001 0.000 0.268 365 T C 0.575 175.296 174.700 0.035 0.000 1.073 365 T CA 0.340 62.465 62.100 0.041 0.000 1.134 365 T CB -0.029 68.840 68.868 0.001 0.000 0.884 365 T HN 0.018 nan 8.240 nan 0.000 0.479 366 V N 3.593 123.537 119.914 0.050 0.000 2.673 366 V HA 0.190 4.310 4.120 0.001 0.000 0.303 366 V C 0.210 176.324 176.094 0.033 0.000 1.046 366 V CA -0.370 61.953 62.300 0.038 0.000 1.126 366 V CB 0.413 32.263 31.823 0.045 0.000 0.934 366 V HN 0.309 nan 8.190 nan 0.000 0.487 367 V N 3.525 123.441 119.914 0.003 0.000 2.531 367 V HA 0.659 4.779 4.120 0.001 0.000 0.301 367 V C -2.616 173.471 176.094 -0.013 0.000 1.034 367 V CA -2.477 59.806 62.300 -0.029 0.000 0.865 367 V CB 1.427 33.224 31.823 -0.044 0.000 0.995 367 V HN 0.724 nan 8.190 nan 0.000 0.424 368 P HA 0.548 nan 4.420 nan 0.000 0.271 368 P C -0.552 176.759 177.300 0.019 0.000 1.216 368 P CA -0.006 63.091 63.100 -0.004 0.000 0.776 368 P CB 0.635 32.304 31.700 -0.050 0.000 0.881 369 C N 1.595 120.928 119.300 0.054 0.000 3.285 369 C HA 0.682 5.143 4.460 0.001 0.000 0.320 369 C C -0.524 174.540 174.990 0.123 0.000 1.411 369 C CA -0.165 58.901 59.018 0.079 0.000 1.429 369 C CB 1.801 29.582 27.740 0.069 0.000 1.812 369 C HN 0.560 nan 8.230 nan 0.000 0.454 370 C N 0.843 120.233 119.300 0.151 0.000 2.898 370 C HA 0.783 5.244 4.460 0.001 0.000 0.304 370 C C -0.314 174.820 174.990 0.239 0.000 1.237 370 C CA -0.376 58.771 59.018 0.214 0.000 1.529 370 C CB 1.739 29.610 27.740 0.218 0.000 2.021 370 C HN 0.906 nan 8.230 nan 0.000 0.474 371 S N 0.968 116.827 115.700 0.266 0.000 2.456 371 S HA 0.904 5.375 4.470 0.001 0.000 0.316 371 S C 0.128 174.863 174.600 0.227 0.000 1.089 371 S CA -0.212 58.107 58.200 0.199 0.000 1.101 371 S CB 1.444 64.716 63.200 0.121 0.000 0.995 371 S HN 1.331 nan 8.310 nan 0.000 0.468 372 G N 2.900 111.782 108.800 0.136 0.000 2.321 372 G HA2 0.403 4.363 3.960 0.001 0.000 0.296 372 G HA3 0.403 4.363 3.960 0.001 0.000 0.296 372 G C -3.036 171.809 174.900 -0.092 0.000 1.287 372 G CA -0.713 44.298 45.100 -0.147 0.000 0.846 372 G HN 0.313 nan 8.290 nan 0.000 0.508 373 P HA 0.181 nan 4.420 nan 0.000 0.251 373 P C 0.601 177.818 177.300 -0.139 0.000 1.223 373 P CA 0.650 63.446 63.100 -0.506 0.000 0.796 373 P CB 0.538 32.166 31.700 -0.121 0.000 1.068 374 K N -0.745 119.611 120.400 -0.074 0.000 2.403 374 K HA 0.206 4.526 4.320 0.001 0.000 0.199 374 K C 0.920 177.448 176.600 -0.120 0.000 1.199 374 K CA 0.079 56.362 56.287 -0.007 0.000 0.924 374 K CB 0.736 33.235 32.500 -0.001 0.000 1.137 374 K HN 0.000 nan 8.250 nan 0.000 0.510 375 R N 1.126 121.530 120.500 -0.160 0.000 2.514 375 R HA 0.216 4.557 4.340 0.001 0.000 0.301 375 R C -2.369 173.725 176.300 -0.343 0.000 0.962 375 R CA -1.981 53.953 56.100 -0.277 0.000 0.882 375 R CB 1.263 31.470 30.300 -0.155 0.000 1.143 375 R HN -0.191 nan 8.270 nan 0.000 0.452 376 P HA -0.208 nan 4.420 nan 0.000 0.225 376 P C 0.917 178.138 177.300 -0.133 0.000 1.148 376 P CA 1.105 64.020 63.100 -0.307 0.000 0.779 376 P CB 0.271 31.783 31.700 -0.312 0.000 0.780 377 Q N -0.765 118.951 119.800 -0.141 0.000 2.137 377 Q HA -0.050 4.290 4.340 0.001 0.000 0.198 377 Q C 0.148 176.108 176.000 -0.066 0.000 0.960 377 Q CA 0.792 56.539 55.803 -0.094 0.000 0.847 377 Q CB -0.767 27.900 28.738 -0.118 0.000 0.915 377 Q HN 0.155 nan 8.270 nan 0.000 0.448 378 D N 3.247 123.603 120.400 -0.073 0.000 2.389 378 D HA 0.035 4.676 4.640 0.001 0.000 0.278 378 D C -0.503 175.815 176.300 0.030 0.000 1.398 378 D CA 0.598 54.581 54.000 -0.028 0.000 1.090 378 D CB 0.419 41.206 40.800 -0.021 0.000 1.108 378 D HN 0.140 nan 8.370 nan 0.000 0.532 379 K N 1.326 121.744 120.400 0.030 0.000 2.234 379 K HA 0.351 4.672 4.320 0.001 0.000 0.282 379 K C -0.171 176.476 176.600 0.078 0.000 1.039 379 K CA -0.686 55.637 56.287 0.060 0.000 0.928 379 K CB 2.390 34.913 32.500 0.038 0.000 1.039 379 K HN 0.128 nan 8.250 nan 0.000 0.470 380 V N 1.738 121.719 119.914 0.113 0.000 2.577 380 V HA 0.507 4.627 4.120 0.001 0.000 0.303 380 V C -0.563 175.584 176.094 0.089 0.000 1.042 380 V CA -0.796 61.569 62.300 0.108 0.000 0.872 380 V CB 1.649 33.567 31.823 0.159 0.000 0.998 380 V HN 0.905 nan 8.190 nan 0.000 0.423 381 A N 5.294 128.149 122.820 0.058 0.000 2.483 381 A HA 0.400 4.721 4.320 0.001 0.000 0.238 381 A C 1.262 178.879 177.584 0.055 0.000 1.070 381 A CA 0.611 52.672 52.037 0.039 0.000 0.770 381 A CB 0.739 19.745 19.000 0.010 0.000 1.008 381 A HN 1.216 nan 8.150 nan 0.000 0.497 382 V N 2.494 122.439 119.914 0.053 0.000 2.255 382 V HA -0.269 3.852 4.120 0.001 0.000 0.247 382 V C 2.870 179.023 176.094 0.098 0.000 1.051 382 V CA 2.896 65.253 62.300 0.095 0.000 1.018 382 V CB -0.949 30.901 31.823 0.045 0.000 0.641 382 V HN 1.200 nan 8.190 nan 0.000 0.445 383 S N -0.241 115.485 115.700 0.043 0.000 2.465 383 S HA -0.216 4.254 4.470 0.001 0.000 0.241 383 S C 1.251 175.876 174.600 0.042 0.000 1.000 383 S CA 1.728 59.952 58.200 0.040 0.000 0.964 383 S CB -0.421 62.773 63.200 -0.010 0.000 0.763 383 S HN 0.658 nan 8.310 nan 0.000 0.512 384 D N 0.261 120.688 120.400 0.045 0.000 2.369 384 D HA 0.261 4.901 4.640 0.001 0.000 0.211 384 D C 1.658 177.994 176.300 0.061 0.000 1.077 384 D CA 0.038 54.067 54.000 0.047 0.000 0.842 384 D CB -0.096 40.731 40.800 0.044 0.000 0.947 384 D HN 0.258 nan 8.370 nan 0.000 0.509 385 M N 0.674 120.308 119.600 0.056 0.000 2.088 385 M HA -0.228 4.252 4.480 0.001 0.000 0.256 385 M C 2.089 178.417 176.300 0.046 0.000 1.071 385 M CA 1.552 56.859 55.300 0.012 0.000 1.097 385 M CB -0.804 31.785 32.600 -0.019 0.000 1.315 385 M HN 0.036 nan 8.290 nan 0.000 0.406 386 K N 0.177 120.601 120.400 0.039 0.000 2.026 386 K HA -0.213 4.108 4.320 0.001 0.000 0.208 386 K C 2.237 178.913 176.600 0.127 0.000 1.048 386 K CA 1.427 57.758 56.287 0.075 0.000 0.929 386 K CB -0.151 32.362 32.500 0.023 0.000 0.713 386 K HN 0.062 nan 8.250 nan 0.000 0.439 387 K N 1.583 122.035 120.400 0.088 0.000 2.002 387 K HA -0.229 4.092 4.320 0.001 0.000 0.209 387 K C 1.810 178.468 176.600 0.097 0.000 1.048 387 K CA 2.162 58.498 56.287 0.080 0.000 0.930 387 K CB -0.721 31.813 32.500 0.056 0.000 0.714 387 K HN 0.318 nan 8.250 nan 0.000 0.438 388 D N -0.511 119.956 120.400 0.111 0.000 2.144 388 D HA -0.185 4.455 4.640 0.001 0.000 0.199 388 D C 1.944 178.355 176.300 0.185 0.000 0.984 388 D CA 0.841 54.918 54.000 0.128 0.000 0.834 388 D CB -0.085 40.797 40.800 0.137 0.000 0.955 388 D HN 0.204 nan 8.370 nan 0.000 0.465 389 F N 1.863 121.858 119.950 0.075 0.000 2.060 389 F HA -0.052 4.475 4.527 0.001 0.000 0.295 389 F C 2.274 178.127 175.800 0.088 0.000 1.120 389 F CA 1.381 59.453 58.000 0.120 0.000 1.205 389 F CB -0.404 38.632 39.000 0.060 0.000 0.986 389 F HN -0.116 nan 8.300 nan 0.000 0.470 390 E N -0.454 119.753 120.200 0.011 0.000 2.331 390 E HA -0.168 4.183 4.350 0.001 0.000 0.199 390 E C 2.054 178.561 176.600 -0.155 0.000 1.008 390 E CA 1.186 57.511 56.400 -0.126 0.000 0.843 390 E CB -0.202 29.524 29.700 0.044 0.000 0.761 390 E HN 0.337 nan 8.360 nan 0.000 0.507 391 S N -0.399 115.257 115.700 -0.073 0.000 2.501 391 S HA -0.039 4.432 4.470 0.001 0.000 0.220 391 S C 1.696 176.249 174.600 -0.078 0.000 0.997 391 S CA 0.190 58.365 58.200 -0.042 0.000 0.919 391 S CB 0.265 63.469 63.200 0.007 0.000 0.778 391 S HN 0.396 nan 8.310 nan 0.000 0.523 392 C N 1.292 120.522 119.300 -0.117 0.000 2.594 392 C HA 0.316 4.776 4.460 0.001 0.000 0.265 392 C C 2.252 177.221 174.990 -0.034 0.000 1.351 392 C CA -0.281 58.670 59.018 -0.111 0.000 1.744 392 C CB -1.435 26.266 27.740 -0.064 0.000 1.890 392 C HN 0.528 nan 8.230 nan 0.000 0.551 393 L N 1.049 122.144 121.223 -0.213 0.000 1.988 393 L HA 0.004 4.345 4.340 0.001 0.000 0.207 393 L C 2.491 179.254 176.870 -0.178 0.000 1.071 393 L CA 1.899 56.548 54.840 -0.318 0.000 0.744 393 L CB -0.945 40.619 42.059 -0.825 0.000 0.893 393 L HN 0.444 nan 8.230 nan 0.000 0.433 394 G N -0.476 108.230 108.800 -0.157 0.000 3.327 394 G HA2 0.360 4.320 3.960 0.001 0.000 0.240 394 G HA3 0.360 4.320 3.960 0.001 0.000 0.240 394 G C 0.328 175.266 174.900 0.064 0.000 1.222 394 G CA 0.196 45.390 45.100 0.157 0.000 0.871 394 G HN 0.307 nan 8.290 nan 0.000 0.525 395 A N 0.308 123.126 122.820 -0.004 0.000 2.327 395 A HA 0.640 4.961 4.320 0.001 0.000 0.283 395 A C 0.225 177.790 177.584 -0.032 0.000 1.127 395 A CA -0.657 51.363 52.037 -0.029 0.000 0.810 395 A CB 0.820 19.771 19.000 -0.082 0.000 1.066 395 A HN 0.081 nan 8.150 nan 0.000 0.492 396 K N 1.769 122.153 120.400 -0.027 0.000 2.294 396 K HA 0.119 4.440 4.320 0.001 0.000 0.288 396 K C 0.444 177.005 176.600 -0.066 0.000 1.072 396 K CA 0.172 56.441 56.287 -0.030 0.000 0.960 396 K CB -0.035 32.455 32.500 -0.017 0.000 1.043 396 K HN 0.627 nan 8.250 nan 0.000 0.455 397 Q N 1.719 121.472 119.800 -0.078 0.000 2.308 397 Q HA -0.212 4.128 4.340 0.001 0.000 0.373 397 Q C -0.050 175.844 176.000 -0.177 0.000 1.252 397 Q CA 1.237 56.966 55.803 -0.124 0.000 1.197 397 Q CB -1.153 27.529 28.738 -0.092 0.000 1.432 397 Q HN 0.756 nan 8.270 nan 0.000 0.345 398 G N -1.041 107.648 108.800 -0.184 0.000 2.702 398 G HA2 0.395 4.355 3.960 0.001 0.000 0.254 398 G HA3 0.395 4.355 3.960 0.001 0.000 0.254 398 G C -0.036 174.710 174.900 -0.257 0.000 1.380 398 G CA -0.569 44.424 45.100 -0.177 0.000 1.042 398 G HN 0.320 nan 8.290 nan 0.000 0.557 399 F N -0.659 119.208 119.950 -0.138 0.000 2.407 399 F HA 0.190 4.717 4.527 0.001 0.000 0.299 399 F C 1.941 177.610 175.800 -0.218 0.000 1.097 399 F CA 0.974 58.882 58.000 -0.154 0.000 1.422 399 F CB 0.277 39.208 39.000 -0.115 0.000 1.067 399 F HN 0.039 nan 8.300 nan 0.000 0.539 400 K N 0.226 120.599 120.400 -0.045 0.000 3.205 400 K HA 0.470 4.790 4.320 0.001 0.000 0.202 400 K C -0.224 176.201 176.600 -0.292 0.000 1.160 400 K CA -0.205 55.983 56.287 -0.165 0.000 0.995 400 K CB 0.529 33.002 32.500 -0.045 0.000 1.041 400 K HN 0.160 nan 8.250 nan 0.000 0.507 401 G N -0.129 108.371 108.800 -0.499 0.000 2.768 401 G HA2 0.371 4.332 3.960 0.001 0.000 0.297 401 G HA3 0.371 4.332 3.960 0.001 0.000 0.297 401 G C -0.603 173.956 174.900 -0.569 0.000 1.430 401 G CA -0.607 44.215 45.100 -0.463 0.000 1.030 401 G HN 0.165 nan 8.290 nan 0.000 0.553 402 F N 0.439 120.315 119.950 -0.123 0.000 2.706 402 F HA 0.215 4.742 4.527 0.001 0.000 0.308 402 F C 1.305 177.053 175.800 -0.088 0.000 1.095 402 F CA 0.110 58.039 58.000 -0.118 0.000 1.244 402 F CB 0.311 39.208 39.000 -0.171 0.000 1.063 402 F HN 0.649 nan 8.300 nan 0.000 0.582 403 Q N 0.799 120.648 119.800 0.081 0.000 2.708 403 Q HA -0.142 4.198 4.340 0.001 0.000 0.164 403 Q C -1.620 174.448 176.000 0.112 0.000 1.433 403 Q CA 0.009 55.858 55.803 0.076 0.000 0.598 403 Q CB -1.552 27.209 28.738 0.039 0.000 0.727 403 Q HN 0.174 nan 8.270 nan 0.000 0.314 404 V N 1.810 121.824 119.914 0.166 0.000 2.623 404 V HA 0.735 4.855 4.120 0.001 0.000 0.304 404 V C 0.493 176.769 176.094 0.303 0.000 1.054 404 V CA -0.550 61.885 62.300 0.226 0.000 0.882 404 V CB 1.854 33.821 31.823 0.240 0.000 1.002 404 V HN 0.977 nan 8.190 nan 0.000 0.424 405 A N 6.207 129.180 122.820 0.256 0.000 2.592 405 A HA 0.147 4.467 4.320 0.001 0.000 0.250 405 A C -1.106 176.480 177.584 0.005 0.000 1.017 405 A CA -0.019 52.108 52.037 0.150 0.000 0.794 405 A CB -0.407 18.711 19.000 0.197 0.000 0.917 405 A HN 0.780 nan 8.150 nan 0.000 0.515 406 P HA -0.242 nan 4.420 nan 0.000 0.219 406 P C 0.876 177.891 177.300 -0.474 0.000 1.149 406 P CA 1.878 64.650 63.100 -0.546 0.000 0.835 406 P CB 0.068 31.594 31.700 -0.289 0.000 0.778 407 D N -3.236 116.983 120.400 -0.301 0.000 2.340 407 D HA -0.121 4.520 4.640 0.001 0.000 0.220 407 D C 1.161 177.277 176.300 -0.307 0.000 1.039 407 D CA 0.679 54.501 54.000 -0.296 0.000 0.866 407 D CB -0.595 40.011 40.800 -0.324 0.000 0.913 407 D HN 0.294 nan 8.370 nan 0.000 0.523 408 H N 0.003 119.047 119.070 -0.043 0.000 2.729 408 H HA 0.106 4.663 4.556 0.001 0.000 0.263 408 H C 1.328 176.719 175.328 0.106 0.000 0.961 408 H CA 0.185 56.245 56.048 0.020 0.000 1.217 408 H CB -0.069 29.739 29.762 0.077 0.000 1.447 408 H HN 0.452 nan 8.280 nan 0.000 0.496 409 H N 0.830 119.983 119.070 0.139 0.000 2.501 409 H HA -0.104 4.453 4.556 0.001 0.000 0.296 409 H C 0.363 175.739 175.328 0.079 0.000 1.115 409 H CA 0.794 56.934 56.048 0.154 0.000 1.242 409 H CB 0.345 30.155 29.762 0.080 0.000 1.363 409 H HN 0.220 nan 8.280 nan 0.000 0.537 410 N N 1.502 120.245 118.700 0.072 0.000 2.467 410 N HA 0.052 4.793 4.740 0.001 0.000 0.278 410 N C -0.941 174.316 175.510 -0.422 0.000 1.306 410 N CA 0.001 52.991 53.050 -0.099 0.000 0.905 410 N CB 0.590 39.046 38.487 -0.052 0.000 1.236 410 N HN 0.287 nan 8.380 nan 0.000 0.509 411 D N 1.056 121.208 120.400 -0.414 0.000 2.313 411 D HA 0.225 4.865 4.640 0.001 0.000 0.247 411 D C -0.079 175.920 176.300 -0.502 0.000 1.094 411 D CA 0.588 54.296 54.000 -0.487 0.000 0.925 411 D CB 0.528 41.137 40.800 -0.319 0.000 1.188 411 D HN 0.312 nan 8.370 nan 0.000 0.430 412 H N -1.291 117.736 119.070 -0.072 0.000 3.222 412 H HA 0.317 4.873 4.556 0.001 0.000 0.315 412 H C -1.139 174.189 175.328 -0.001 0.000 1.116 412 H CA -0.852 55.175 56.048 -0.035 0.000 1.511 412 H CB -0.092 29.668 29.762 -0.003 0.000 2.059 412 H HN 0.138 nan 8.280 nan 0.000 0.420 413 K N 1.848 122.340 120.400 0.154 0.000 2.098 413 K HA 0.566 4.887 4.320 0.001 0.000 0.258 413 K C 0.089 176.773 176.600 0.141 0.000 0.973 413 K CA -0.320 56.039 56.287 0.119 0.000 0.898 413 K CB 1.239 33.787 32.500 0.079 0.000 1.057 413 K HN 0.838 nan 8.250 nan 0.000 0.447 414 T N -0.279 114.344 114.554 0.114 0.000 2.937 414 T HA 0.705 5.056 4.350 0.001 0.000 0.283 414 T C -0.467 174.368 174.700 0.224 0.000 1.012 414 T CA -0.676 61.490 62.100 0.110 0.000 0.997 414 T CB 0.652 69.506 68.868 -0.023 0.000 1.136 414 T HN 0.557 nan 8.240 nan 0.000 0.551 415 F N -0.712 119.223 119.950 -0.026 0.000 2.817 415 F HA 0.742 5.269 4.527 0.001 0.000 0.317 415 F C -2.092 173.719 175.800 0.018 0.000 1.168 415 F CA -1.655 56.343 58.000 -0.004 0.000 0.911 415 F CB 0.993 39.992 39.000 -0.002 0.000 1.337 415 F HN 0.485 nan 8.300 nan 0.000 0.464 416 I N 1.981 122.628 120.570 0.128 0.000 2.441 416 I HA 0.458 4.629 4.170 0.001 0.000 0.295 416 I C -1.615 174.693 176.117 0.318 0.000 0.994 416 I CA -0.863 60.455 61.300 0.030 0.000 1.144 416 I CB 1.327 39.336 38.000 0.014 0.000 1.314 416 I HN 0.846 nan 8.210 nan 0.000 0.445 417 Y N 5.764 126.153 120.300 0.148 0.000 2.307 417 Y HA 0.324 4.875 4.550 0.001 0.000 0.323 417 Y C -0.186 175.854 175.900 0.234 0.000 1.100 417 Y CA -0.543 57.743 58.100 0.310 0.000 1.140 417 Y CB 0.864 39.662 38.460 0.563 0.000 1.159 417 Y HN 0.702 nan 8.280 nan 0.000 0.436 418 N N 5.731 124.261 118.700 -0.285 0.000 2.663 418 N HA -0.205 4.536 4.740 0.001 0.000 0.263 418 N C -0.572 174.899 175.510 -0.065 0.000 1.109 418 N CA 1.576 54.505 53.050 -0.200 0.000 0.701 418 N CB -0.643 37.727 38.487 -0.195 0.000 0.879 418 N HN 0.961 nan 8.380 nan 0.000 0.550 419 D N -2.085 118.272 120.400 -0.072 0.000 3.018 419 D HA -0.189 4.452 4.640 0.001 0.000 0.224 419 D C -0.417 175.821 176.300 -0.104 0.000 1.185 419 D CA 1.630 55.587 54.000 -0.071 0.000 0.858 419 D CB -0.868 39.898 40.800 -0.057 0.000 1.112 419 D HN 0.488 nan 8.370 nan 0.000 0.415 420 S N -0.687 114.931 115.700 -0.138 0.000 2.568 420 S HA 0.481 4.952 4.470 0.001 0.000 0.293 420 S C -0.339 173.918 174.600 -0.571 0.000 1.089 420 S CA -0.773 57.228 58.200 -0.331 0.000 0.945 420 S CB 3.240 66.242 63.200 -0.331 0.000 1.077 420 S HN 0.171 nan 8.310 nan 0.000 0.485 421 E N 0.865 120.606 120.200 -0.764 0.000 2.183 421 E HA 0.630 4.981 4.350 0.001 0.000 0.271 421 E C -1.622 174.316 176.600 -1.105 0.000 0.919 421 E CA -0.414 55.533 56.400 -0.755 0.000 0.781 421 E CB 0.868 30.321 29.700 -0.411 0.000 1.140 421 E HN 0.462 nan 8.360 nan 0.000 0.402 422 F N 0.392 119.954 119.950 -0.646 0.000 2.629 422 F HA 0.424 4.952 4.527 0.001 0.000 0.316 422 F C -0.059 175.404 175.800 -0.562 0.000 1.081 422 F CA -0.884 56.737 58.000 -0.632 0.000 0.954 422 F CB 2.396 40.881 39.000 -0.857 0.000 1.337 422 F HN 0.179 nan 8.300 nan 0.000 0.474 423 T N 2.484 117.011 114.554 -0.045 0.000 2.797 423 T HA 0.558 4.908 4.350 0.001 0.000 0.279 423 T C -1.255 173.529 174.700 0.140 0.000 0.991 423 T CA -0.410 61.709 62.100 0.033 0.000 0.979 423 T CB 1.460 70.322 68.868 -0.009 0.000 0.943 423 T HN 0.287 nan 8.240 nan 0.000 0.444 424 L N 3.200 124.546 121.223 0.205 0.000 2.337 424 L HA 0.523 4.863 4.340 0.001 0.000 0.269 424 L C 0.336 177.295 176.870 0.147 0.000 1.018 424 L CA 0.030 54.973 54.840 0.171 0.000 0.876 424 L CB 1.092 43.220 42.059 0.116 0.000 1.236 424 L HN 0.683 nan 8.230 nan 0.000 0.436 425 S N 2.317 118.112 115.700 0.158 0.000 2.666 425 S HA 0.425 4.896 4.470 0.001 0.000 0.279 425 S C -0.035 174.668 174.600 0.173 0.000 1.149 425 S CA -0.388 57.907 58.200 0.158 0.000 1.020 425 S CB 0.444 63.765 63.200 0.201 0.000 1.127 425 S HN 0.656 nan 8.310 nan 0.000 0.537 426 H N -0.541 118.586 119.070 0.095 0.000 2.803 426 H HA 0.387 4.944 4.556 0.001 0.000 0.330 426 H C 1.247 176.681 175.328 0.176 0.000 1.057 426 H CA 0.567 56.681 56.048 0.111 0.000 1.458 426 H CB 0.548 30.367 29.762 0.094 0.000 1.470 426 H HN 0.969 nan 8.280 nan 0.000 0.560 427 G N 2.832 111.767 108.800 0.225 0.000 2.157 427 G HA2 -0.291 3.669 3.960 0.001 0.000 0.239 427 G HA3 -0.291 3.669 3.960 0.001 0.000 0.239 427 G C 0.200 175.001 174.900 -0.165 0.000 0.982 427 G CA 0.050 45.033 45.100 -0.194 0.000 0.650 427 G HN 0.566 nan 8.290 nan 0.000 0.527 428 S N -0.359 115.340 115.700 -0.002 0.000 2.562 428 S HA 0.457 4.928 4.470 0.001 0.000 0.281 428 S C 0.731 175.330 174.600 -0.001 0.000 1.333 428 S CA -0.176 58.041 58.200 0.029 0.000 1.052 428 S CB 1.870 65.135 63.200 0.108 0.000 0.884 428 S HN 0.659 nan 8.310 nan 0.000 0.506 429 V N 4.303 124.221 119.914 0.007 0.000 2.461 429 V HA 0.167 4.287 4.120 0.001 0.000 0.275 429 V C 0.769 176.862 176.094 -0.002 0.000 1.047 429 V CA -0.112 62.179 62.300 -0.016 0.000 0.955 429 V CB 1.256 33.073 31.823 -0.010 0.000 0.988 429 V HN 0.834 nan 8.190 nan 0.000 0.471 430 V N 5.449 125.345 119.914 -0.030 0.000 3.307 430 V HA 0.323 4.443 4.120 0.001 0.000 0.244 430 V C 0.407 176.419 176.094 -0.137 0.000 1.196 430 V CA 0.635 62.899 62.300 -0.060 0.000 1.132 430 V CB 0.360 32.143 31.823 -0.067 0.000 0.875 430 V HN 0.646 nan 8.190 nan 0.000 0.468 431 I N 0.512 121.017 120.570 -0.108 0.000 2.509 431 I HA 0.737 4.908 4.170 0.001 0.000 0.293 431 I C -0.503 175.592 176.117 -0.036 0.000 1.020 431 I CA -0.633 60.604 61.300 -0.106 0.000 1.088 431 I CB 1.978 39.917 38.000 -0.100 0.000 1.267 431 I HN 0.061 nan 8.210 nan 0.000 0.430 432 A N 4.952 127.767 122.820 -0.008 0.000 2.605 432 A HA 0.820 5.140 4.320 0.001 0.000 0.293 432 A C -0.625 177.064 177.584 0.176 0.000 1.216 432 A CA -0.443 51.660 52.037 0.110 0.000 0.742 432 A CB 0.903 20.017 19.000 0.190 0.000 1.170 432 A HN 0.756 nan 8.150 nan 0.000 0.443 433 A N 2.837 125.734 122.820 0.128 0.000 2.288 433 A HA 0.779 5.099 4.320 0.001 0.000 0.320 433 A C -0.504 177.152 177.584 0.119 0.000 1.217 433 A CA -0.345 51.768 52.037 0.127 0.000 0.840 433 A CB 0.338 19.371 19.000 0.054 0.000 1.179 433 A HN 0.725 nan 8.150 nan 0.000 0.504 434 I N 3.231 123.884 120.570 0.137 0.000 2.355 434 I HA 0.424 4.595 4.170 0.001 0.000 0.288 434 I C 0.441 176.585 176.117 0.046 0.000 0.999 434 I CA -0.127 61.207 61.300 0.056 0.000 1.163 434 I CB 1.884 39.876 38.000 -0.014 0.000 1.316 434 I HN 0.832 nan 8.210 nan 0.000 0.454 435 T N 1.127 115.697 114.554 0.027 0.000 2.864 435 T HA 0.452 4.803 4.350 0.001 0.000 0.289 435 T C 0.020 174.726 174.700 0.010 0.000 1.082 435 T CA -0.854 61.259 62.100 0.022 0.000 1.009 435 T CB 1.565 70.448 68.868 0.025 0.000 1.234 435 T HN 0.487 nan 8.240 nan 0.000 0.526 436 S N 0.849 116.554 115.700 0.009 0.000 2.549 436 S HA 0.407 4.878 4.470 0.001 0.000 0.286 436 S C 0.123 174.728 174.600 0.007 0.000 1.314 436 S CA -0.564 57.637 58.200 0.002 0.000 1.062 436 S CB 0.099 63.301 63.200 0.004 0.000 0.865 436 S HN 0.764 nan 8.310 nan 0.000 0.498 437 S N 1.286 116.985 115.700 -0.002 0.000 2.509 437 S HA 0.493 4.963 4.470 0.001 0.000 0.297 437 S C 1.550 176.150 174.600 0.001 0.000 1.118 437 S CA -0.316 57.887 58.200 0.005 0.000 1.074 437 S CB 1.448 64.647 63.200 -0.002 0.000 1.038 437 S HN 0.952 nan 8.310 nan 0.000 0.498 438 T N 0.490 115.051 114.554 0.011 0.000 2.857 438 T HA -0.033 4.318 4.350 0.001 0.000 0.266 438 T C 0.876 175.576 174.700 -0.001 0.000 1.048 438 T CA 0.408 62.514 62.100 0.009 0.000 1.139 438 T CB -0.420 68.460 68.868 0.020 0.000 0.874 438 T HN 0.544 nan 8.240 nan 0.000 0.455 439 N N 1.997 120.698 118.700 0.002 0.000 2.359 439 N HA -0.056 4.685 4.740 0.001 0.000 0.261 439 N C 0.802 176.294 175.510 -0.031 0.000 1.267 439 N CA 0.449 53.495 53.050 -0.006 0.000 0.864 439 N CB 0.983 39.469 38.487 -0.000 0.000 1.063 439 N HN 0.203 nan 8.380 nan 0.000 0.474 440 T N 1.422 115.954 114.554 -0.037 0.000 3.155 440 T HA -0.073 4.278 4.350 0.001 0.000 0.264 440 T C 1.447 176.093 174.700 -0.090 0.000 1.160 440 T CA 1.311 63.375 62.100 -0.061 0.000 1.075 440 T CB -0.145 68.687 68.868 -0.060 0.000 0.921 440 T HN 0.643 nan 8.240 nan 0.000 0.533 441 S N -0.246 115.400 115.700 -0.089 0.000 2.556 441 S HA 0.080 4.551 4.470 0.001 0.000 0.216 441 S C 1.591 176.104 174.600 -0.145 0.000 0.970 441 S CA 0.108 58.237 58.200 -0.119 0.000 0.912 441 S CB -0.348 62.795 63.200 -0.094 0.000 0.790 441 S HN 0.501 nan 8.310 nan 0.000 0.504 442 N N 3.453 122.078 118.700 -0.125 0.000 2.137 442 N HA -0.032 4.709 4.740 0.001 0.000 0.190 442 N C -1.219 174.168 175.510 -0.204 0.000 1.017 442 N CA 1.804 54.777 53.050 -0.128 0.000 0.859 442 N CB -0.972 37.463 38.487 -0.087 0.000 1.002 442 N HN 0.313 nan 8.380 nan 0.000 0.428 443 P HA -0.043 nan 4.420 nan 0.000 0.215 443 P C 1.183 178.081 177.300 -0.670 0.000 1.153 443 P CA 1.365 64.131 63.100 -0.556 0.000 0.853 443 P CB -0.050 31.142 31.700 -0.847 0.000 0.788 444 S N -0.578 114.778 115.700 -0.574 0.000 2.402 444 S HA -0.101 4.370 4.470 0.001 0.000 0.229 444 S C 1.882 176.383 174.600 -0.166 0.000 1.021 444 S CA 1.436 59.455 58.200 -0.303 0.000 0.974 444 S CB -1.166 61.933 63.200 -0.167 0.000 0.800 444 S HN 0.124 nan 8.310 nan 0.000 0.484 445 V N -1.295 118.518 119.914 -0.168 0.000 2.951 445 V HA 0.069 4.190 4.120 0.001 0.000 0.255 445 V C 1.869 177.871 176.094 -0.152 0.000 1.088 445 V CA 0.802 63.020 62.300 -0.136 0.000 1.109 445 V CB -0.604 31.159 31.823 -0.101 0.000 0.724 445 V HN 0.275 nan 8.190 nan 0.000 0.471 446 M N 0.016 119.528 119.600 -0.147 0.000 2.123 446 M HA 0.035 4.516 4.480 0.001 0.000 0.263 446 M C 2.291 178.526 176.300 -0.108 0.000 1.069 446 M CA 1.730 56.955 55.300 -0.126 0.000 1.133 446 M CB -1.029 31.514 32.600 -0.095 0.000 1.356 446 M HN 0.414 nan 8.290 nan 0.000 0.415 447 L N 0.064 121.255 121.223 -0.054 0.000 2.043 447 L HA -0.205 4.136 4.340 0.001 0.000 0.212 447 L C 2.251 179.064 176.870 -0.095 0.000 1.075 447 L CA 1.909 56.750 54.840 0.002 0.000 0.752 447 L CB -0.941 41.207 42.059 0.148 0.000 0.891 447 L HN 0.368 nan 8.230 nan 0.000 0.432 448 G N -0.950 107.763 108.800 -0.145 0.000 2.459 448 G HA2 -0.327 3.633 3.960 0.001 0.000 0.217 448 G HA3 -0.327 3.633 3.960 0.001 0.000 0.217 448 G C 1.681 176.381 174.900 -0.333 0.000 1.183 448 G CA 0.912 45.862 45.100 -0.250 0.000 0.776 448 G HN 0.573 nan 8.290 nan 0.000 0.552 449 A N 0.831 123.463 122.820 -0.312 0.000 1.958 449 A HA 0.031 4.352 4.320 0.001 0.000 0.221 449 A C 2.666 180.082 177.584 -0.280 0.000 1.178 449 A CA 2.429 54.266 52.037 -0.333 0.000 0.642 449 A CB -1.153 17.676 19.000 -0.285 0.000 0.816 449 A HN 0.613 nan 8.150 nan 0.000 0.453 450 G N -0.232 108.444 108.800 -0.208 0.000 2.464 450 G HA2 -0.152 3.808 3.960 0.001 0.000 0.214 450 G HA3 -0.152 3.808 3.960 0.001 0.000 0.214 450 G C 1.498 176.282 174.900 -0.194 0.000 1.218 450 G CA 0.938 45.941 45.100 -0.162 0.000 0.794 450 G HN 0.446 nan 8.290 nan 0.000 0.542 451 L N -0.036 121.065 121.223 -0.203 0.000 2.197 451 L HA -0.127 4.214 4.340 0.001 0.000 0.215 451 L C 2.713 179.444 176.870 -0.232 0.000 1.095 451 L CA 0.534 55.242 54.840 -0.218 0.000 0.764 451 L CB -0.417 41.531 42.059 -0.186 0.000 0.897 451 L HN 0.229 nan 8.230 nan 0.000 0.436 452 L N -0.227 120.830 121.223 -0.276 0.000 2.072 452 L HA -0.078 4.263 4.340 0.001 0.000 0.205 452 L C 2.633 179.404 176.870 -0.165 0.000 1.079 452 L CA 1.801 56.483 54.840 -0.264 0.000 0.752 452 L CB -0.555 41.274 42.059 -0.383 0.000 0.906 452 L HN 0.123 nan 8.230 nan 0.000 0.436 453 A N -0.094 122.633 122.820 -0.155 0.000 1.841 453 A HA -0.296 4.025 4.320 0.001 0.000 0.216 453 A C 2.390 179.963 177.584 -0.018 0.000 1.199 453 A CA 2.177 54.178 52.037 -0.058 0.000 0.621 453 A CB -0.836 18.147 19.000 -0.029 0.000 0.835 453 A HN 0.494 nan 8.150 nan 0.000 0.445 454 K N -0.163 120.147 120.400 -0.150 0.000 2.001 454 K HA -0.283 4.037 4.320 0.001 0.000 0.223 454 K C 2.078 178.615 176.600 -0.106 0.000 1.055 454 K CA 2.315 58.387 56.287 -0.359 0.000 0.965 454 K CB -0.320 31.704 32.500 -0.794 0.000 0.730 454 K HN 0.422 nan 8.250 nan 0.000 0.449 455 K N -0.061 120.264 120.400 -0.124 0.000 2.089 455 K HA -0.228 4.092 4.320 0.001 0.000 0.210 455 K C 2.183 178.788 176.600 0.008 0.000 1.048 455 K CA 1.492 57.750 56.287 -0.048 0.000 0.926 455 K CB -0.288 32.179 32.500 -0.054 0.000 0.714 455 K HN 0.361 nan 8.250 nan 0.000 0.448 456 A N 1.116 123.941 122.820 0.009 0.000 1.834 456 A HA -0.172 4.148 4.320 0.001 0.000 0.216 456 A C 2.383 180.008 177.584 0.068 0.000 1.203 456 A CA 1.784 53.844 52.037 0.038 0.000 0.621 456 A CB -1.023 17.996 19.000 0.031 0.000 0.841 456 A HN 0.074 nan 8.150 nan 0.000 0.446 457 V N 0.935 120.912 119.914 0.106 0.000 2.233 457 V HA -0.367 3.753 4.120 0.001 0.000 0.252 457 V C 2.276 178.438 176.094 0.112 0.000 1.063 457 V CA 2.706 65.083 62.300 0.129 0.000 1.032 457 V CB -1.024 30.933 31.823 0.224 0.000 0.645 457 V HN 0.598 nan 8.190 nan 0.000 0.446 458 D N 0.067 120.549 120.400 0.138 0.000 2.190 458 D HA -0.147 4.493 4.640 0.001 0.000 0.200 458 D C 1.928 178.269 176.300 0.069 0.000 0.992 458 D CA 1.602 55.664 54.000 0.104 0.000 0.854 458 D CB -0.345 40.511 40.800 0.094 0.000 0.936 458 D HN 0.528 nan 8.370 nan 0.000 0.462 459 A N -0.726 122.132 122.820 0.062 0.000 2.235 459 A HA 0.394 4.715 4.320 0.001 0.000 0.208 459 A C 1.910 179.525 177.584 0.052 0.000 1.172 459 A CA 1.293 53.363 52.037 0.055 0.000 0.786 459 A CB -0.146 18.888 19.000 0.057 0.000 0.804 459 A HN 0.286 nan 8.150 nan 0.000 0.479 460 G N -1.408 107.423 108.800 0.052 0.000 2.234 460 G HA2 -0.217 3.743 3.960 0.001 0.000 0.235 460 G HA3 -0.217 3.743 3.960 0.001 0.000 0.235 460 G C 0.349 175.276 174.900 0.044 0.000 0.997 460 G CA 0.167 45.294 45.100 0.044 0.000 0.623 460 G HN 0.400 nan 8.290 nan 0.000 0.514 461 L N 1.142 122.394 121.223 0.047 0.000 2.461 461 L HA 0.387 4.727 4.340 0.001 0.000 0.259 461 L C 0.942 177.840 176.870 0.046 0.000 1.248 461 L CA 0.686 55.553 54.840 0.045 0.000 0.823 461 L CB 0.124 42.212 42.059 0.048 0.000 1.111 461 L HN 0.757 nan 8.230 nan 0.000 0.516 462 N N -1.711 117.015 118.700 0.043 0.000 3.373 462 N HA 0.275 5.015 4.740 0.001 0.000 0.275 462 N C -1.821 173.701 175.510 0.020 0.000 1.489 462 N CA -0.612 52.460 53.050 0.037 0.000 0.872 462 N CB 1.704 40.211 38.487 0.032 0.000 1.555 462 N HN 0.210 nan 8.380 nan 0.000 0.500 463 V N 1.172 121.080 119.914 -0.010 0.000 2.531 463 V HA 0.330 4.450 4.120 0.001 0.000 0.301 463 V C -0.227 175.772 176.094 -0.158 0.000 1.034 463 V CA -0.963 61.294 62.300 -0.073 0.000 0.865 463 V CB 1.628 33.408 31.823 -0.072 0.000 0.995 463 V HN 0.749 nan 8.190 nan 0.000 0.424 464 K N 5.099 125.350 120.400 -0.248 0.000 2.511 464 K HA 0.051 4.371 4.320 0.001 0.000 0.280 464 K C -2.189 174.080 176.600 -0.551 0.000 1.008 464 K CA -1.016 55.030 56.287 -0.402 0.000 1.050 464 K CB 0.227 32.400 32.500 -0.544 0.000 0.889 464 K HN 0.243 nan 8.250 nan 0.000 0.484 465 P HA -0.200 nan 4.420 nan 0.000 0.217 465 P C 1.014 178.034 177.300 -0.468 0.000 1.151 465 P CA 1.540 64.548 63.100 -0.154 0.000 0.849 465 P CB -0.321 31.556 31.700 0.296 0.000 0.787 466 Y N -2.113 117.718 120.300 -0.783 0.000 2.632 466 Y HA 0.181 4.731 4.550 0.001 0.000 0.301 466 Y C 0.228 175.818 175.900 -0.517 0.000 1.172 466 Y CA -0.468 57.044 58.100 -0.980 0.000 1.328 466 Y CB -1.357 36.729 38.460 -0.623 0.000 1.016 466 Y HN -0.314 nan 8.280 nan 0.000 0.529 467 V N 2.587 121.995 119.914 -0.843 0.000 2.432 467 V HA 0.075 4.195 4.120 0.001 0.000 0.271 467 V C 0.260 176.124 176.094 -0.384 0.000 1.046 467 V CA -0.895 61.053 62.300 -0.586 0.000 0.945 467 V CB 0.959 32.434 31.823 -0.581 0.000 0.992 467 V HN 0.120 nan 8.190 nan 0.000 0.471 468 K N 4.770 124.996 120.400 -0.290 0.000 2.083 468 K HA 0.137 4.457 4.320 0.001 0.000 0.246 468 K C 0.387 176.844 176.600 -0.238 0.000 1.160 468 K CA 0.005 56.150 56.287 -0.236 0.000 1.060 468 K CB -0.599 31.768 32.500 -0.220 0.000 1.417 468 K HN 0.891 nan 8.250 nan 0.000 0.329 469 T N 0.219 114.564 114.554 -0.349 0.000 2.806 469 T HA 0.605 4.956 4.350 0.001 0.000 0.290 469 T C -0.075 174.372 174.700 -0.422 0.000 0.966 469 T CA -0.821 60.949 62.100 -0.550 0.000 1.060 469 T CB 1.218 69.389 68.868 -1.162 0.000 0.927 469 T HN 0.381 nan 8.240 nan 0.000 0.485 470 S N 2.389 117.988 115.700 -0.168 0.000 2.588 470 S HA 0.781 5.252 4.470 0.001 0.000 0.275 470 S C -1.439 173.320 174.600 0.265 0.000 1.130 470 S CA -1.079 57.133 58.200 0.020 0.000 0.855 470 S CB 1.848 65.059 63.200 0.020 0.000 1.116 470 S HN 0.928 nan 8.310 nan 0.000 0.472 471 L N 1.872 123.208 121.223 0.187 0.000 2.541 471 L HA 0.699 5.039 4.340 0.001 0.000 0.266 471 L C -0.899 176.021 176.870 0.084 0.000 0.966 471 L CA 0.043 54.988 54.840 0.175 0.000 0.871 471 L CB 1.983 44.172 42.059 0.217 0.000 1.232 471 L HN 0.997 nan 8.230 nan 0.000 0.408 472 S N 3.535 119.270 115.700 0.057 0.000 2.259 472 S HA 0.515 4.986 4.470 0.001 0.000 0.181 472 S C -2.264 172.348 174.600 0.020 0.000 1.589 472 S CA -1.031 57.188 58.200 0.032 0.000 1.234 472 S CB 1.026 64.242 63.200 0.028 0.000 1.119 472 S HN 0.528 nan 8.310 nan 0.000 0.458 473 P HA 0.080 nan 4.420 nan 0.000 0.216 473 P C 1.191 178.492 177.300 0.001 0.000 1.150 473 P CA 2.120 65.221 63.100 0.001 0.000 0.843 473 P CB -0.259 31.442 31.700 0.001 0.000 0.787 474 G N -2.173 106.629 108.800 0.003 0.000 2.545 474 G HA2 -0.097 3.864 3.960 0.001 0.000 0.216 474 G HA3 -0.097 3.864 3.960 0.001 0.000 0.216 474 G C -0.344 174.556 174.900 0.001 0.000 1.314 474 G CA -0.283 44.819 45.100 0.003 0.000 0.906 474 G HN 0.226 nan 8.290 nan 0.000 0.563 475 S N -0.674 115.029 115.700 0.004 0.000 2.751 475 S HA 1.005 5.475 4.470 0.001 0.000 0.310 475 S C 0.790 175.402 174.600 0.020 0.000 1.128 475 S CA 0.891 59.094 58.200 0.005 0.000 0.931 475 S CB 1.245 64.446 63.200 0.002 0.000 1.177 475 S HN 2.775 nan 8.310 nan 0.000 0.530 476 G N -0.189 108.632 108.800 0.036 0.000 2.443 476 G HA2 -0.172 3.789 3.960 0.001 0.000 0.209 476 G HA3 -0.172 3.789 3.960 0.001 0.000 0.209 476 G C 0.476 175.460 174.900 0.140 0.000 1.176 476 G CA -0.232 44.909 45.100 0.068 0.000 1.074 476 G HN 0.832 nan 8.290 nan 0.000 0.577 477 V N 0.610 120.613 119.914 0.148 0.000 2.407 477 V HA -0.118 4.002 4.120 0.001 0.000 0.248 477 V C 2.989 179.285 176.094 0.336 0.000 1.055 477 V CA 2.373 64.829 62.300 0.260 0.000 1.049 477 V CB -0.865 31.068 31.823 0.183 0.000 0.662 477 V HN 1.195 nan 8.190 nan 0.000 0.455 478 V N 0.615 120.627 119.914 0.163 0.000 2.380 478 V HA -0.351 3.769 4.120 0.001 0.000 0.251 478 V C 2.544 178.739 176.094 0.168 0.000 1.063 478 V CA 3.050 65.431 62.300 0.135 0.000 1.055 478 V CB -0.685 31.148 31.823 0.017 0.000 0.657 478 V HN 0.720 nan 8.190 nan 0.000 0.455 479 T N -0.662 113.944 114.554 0.086 0.000 2.721 479 T HA -0.256 4.094 4.350 0.001 0.000 0.268 479 T C 1.572 176.224 174.700 -0.079 0.000 1.038 479 T CA 2.469 64.544 62.100 -0.041 0.000 1.145 479 T CB -0.447 68.325 68.868 -0.160 0.000 0.858 479 T HN 0.675 nan 8.240 nan 0.000 0.459 480 Y N -0.533 119.812 120.300 0.076 0.000 2.263 480 Y HA 0.022 4.573 4.550 0.001 0.000 0.292 480 Y C 2.178 178.078 175.900 -0.000 0.000 1.130 480 Y CA 0.575 58.684 58.100 0.016 0.000 1.179 480 Y CB -0.506 37.936 38.460 -0.030 0.000 0.998 480 Y HN 0.219 nan 8.280 nan 0.000 0.532 481 Y N -0.394 119.990 120.300 0.139 0.000 2.274 481 Y HA -0.224 4.327 4.550 0.001 0.000 0.290 481 Y C 2.123 178.041 175.900 0.030 0.000 1.145 481 Y CA 1.322 59.468 58.100 0.076 0.000 1.203 481 Y CB -0.529 37.958 38.460 0.044 0.000 0.984 481 Y HN 0.084 nan 8.280 nan 0.000 0.533 482 L N -1.267 120.044 121.223 0.146 0.000 2.102 482 L HA -0.094 4.246 4.340 0.001 0.000 0.202 482 L C 2.590 179.473 176.870 0.022 0.000 1.076 482 L CA 0.909 55.785 54.840 0.061 0.000 0.761 482 L CB -0.449 41.630 42.059 0.035 0.000 0.921 482 L HN 0.018 nan 8.230 nan 0.000 0.444 483 R N 0.533 121.033 120.500 -0.001 0.000 2.070 483 R HA -0.192 4.148 4.340 0.001 0.000 0.232 483 R C 2.220 178.512 176.300 -0.013 0.000 1.138 483 R CA 1.674 57.758 56.100 -0.027 0.000 0.936 483 R CB -0.049 30.200 30.300 -0.084 0.000 0.839 483 R HN 0.138 nan 8.270 nan 0.000 0.429 484 E N -0.026 120.180 120.200 0.011 0.000 2.209 484 E HA -0.142 4.208 4.350 0.001 0.000 0.196 484 E C 1.678 178.263 176.600 -0.026 0.000 0.993 484 E CA 1.686 58.099 56.400 0.021 0.000 0.819 484 E CB 0.072 29.810 29.700 0.063 0.000 0.745 484 E HN 0.404 nan 8.360 nan 0.000 0.477 485 S N -1.514 114.170 115.700 -0.027 0.000 2.558 485 S HA 0.150 4.621 4.470 0.001 0.000 0.217 485 S C 1.488 176.027 174.600 -0.102 0.000 0.975 485 S CA 0.256 58.416 58.200 -0.066 0.000 0.912 485 S CB 0.195 63.386 63.200 -0.015 0.000 0.776 485 S HN 0.296 nan 8.310 nan 0.000 0.526 486 G N 0.685 109.449 108.800 -0.060 0.000 2.338 486 G HA2 -0.209 3.752 3.960 0.001 0.000 0.296 486 G HA3 -0.209 3.752 3.960 0.001 0.000 0.296 486 G C 0.380 175.312 174.900 0.053 0.000 1.040 486 G CA 0.352 45.446 45.100 -0.010 0.000 1.004 486 G HN 0.599 nan 8.290 nan 0.000 0.509 487 V N -0.613 119.323 119.914 0.036 0.000 3.263 487 V HA 0.080 4.200 4.120 0.001 0.000 0.248 487 V C 2.635 178.809 176.094 0.133 0.000 1.145 487 V CA 1.811 64.141 62.300 0.049 0.000 1.107 487 V CB 0.043 31.849 31.823 -0.028 0.000 0.797 487 V HN 0.488 nan 8.190 nan 0.000 0.467 488 M N 0.621 120.272 119.600 0.085 0.000 2.113 488 M HA -0.173 4.307 4.480 0.001 0.000 0.255 488 M C -0.261 176.092 176.300 0.089 0.000 1.073 488 M CA 2.743 58.084 55.300 0.069 0.000 1.091 488 M CB -1.557 31.063 32.600 0.034 0.000 1.309 488 M HN 0.197 nan 8.290 nan 0.000 0.407 489 P HA -0.192 nan 4.420 nan 0.000 0.214 489 P C 1.093 178.371 177.300 -0.038 0.000 1.169 489 P CA 1.680 64.769 63.100 -0.018 0.000 0.908 489 P CB -0.298 31.340 31.700 -0.104 0.000 0.791 490 Y N -1.318 118.978 120.300 -0.007 0.000 2.242 490 Y HA -0.081 4.469 4.550 0.001 0.000 0.291 490 Y C 2.389 178.302 175.900 0.022 0.000 1.137 490 Y CA 0.728 58.828 58.100 -0.000 0.000 1.181 490 Y CB -1.562 36.888 38.460 -0.017 0.000 0.989 490 Y HN -0.126 nan 8.280 nan 0.000 0.527 491 L N -1.086 120.252 121.223 0.192 0.000 2.083 491 L HA -0.240 4.101 4.340 0.001 0.000 0.209 491 L C 2.699 179.688 176.870 0.198 0.000 1.083 491 L CA 1.601 56.533 54.840 0.154 0.000 0.752 491 L CB -0.526 41.587 42.059 0.090 0.000 0.899 491 L HN 0.239 nan 8.230 nan 0.000 0.433 492 S N -0.502 115.270 115.700 0.121 0.000 2.355 492 S HA -0.268 4.202 4.470 0.001 0.000 0.222 492 S C 1.942 176.572 174.600 0.050 0.000 1.031 492 S CA 1.511 59.756 58.200 0.075 0.000 0.993 492 S CB -0.103 63.114 63.200 0.029 0.000 0.859 492 S HN 0.396 nan 8.310 nan 0.000 0.453 493 Q N 0.787 120.606 119.800 0.032 0.000 2.248 493 Q HA 0.022 4.363 4.340 0.001 0.000 0.208 493 Q C 1.566 177.591 176.000 0.041 0.000 0.984 493 Q CA 1.536 57.345 55.803 0.010 0.000 0.875 493 Q CB -0.452 28.271 28.738 -0.025 0.000 0.910 493 Q HN 0.641 nan 8.270 nan 0.000 0.433 494 L N -1.787 119.499 121.223 0.106 0.000 2.592 494 L HA 0.268 4.608 4.340 0.001 0.000 0.227 494 L C 1.017 177.904 176.870 0.028 0.000 1.127 494 L CA 0.484 55.404 54.840 0.134 0.000 0.884 494 L CB -0.037 42.183 42.059 0.268 0.000 1.065 494 L HN 0.508 nan 8.230 nan 0.000 0.457 495 G N -0.146 108.624 108.800 -0.051 0.000 2.148 495 G HA2 -0.257 3.703 3.960 0.001 0.000 0.203 495 G HA3 -0.257 3.703 3.960 0.001 0.000 0.203 495 G C -0.131 174.486 174.900 -0.471 0.000 0.993 495 G CA -0.622 44.311 45.100 -0.280 0.000 0.661 495 G HN 0.171 nan 8.290 nan 0.000 0.518 496 F N 2.090 122.027 119.950 -0.021 0.000 2.375 496 F HA 0.587 5.114 4.527 0.001 0.000 0.361 496 F C 0.074 175.866 175.800 -0.013 0.000 1.117 496 F CA -0.901 57.089 58.000 -0.018 0.000 1.037 496 F CB 1.430 40.419 39.000 -0.017 0.000 1.192 496 F HN -0.077 nan 8.300 nan 0.000 0.452 497 D N 1.631 122.091 120.400 0.101 0.000 2.523 497 D HA 0.514 5.155 4.640 0.001 0.000 0.236 497 D C -0.373 175.959 176.300 0.052 0.000 1.094 497 D CA -0.370 53.668 54.000 0.063 0.000 0.942 497 D CB 3.024 43.837 40.800 0.021 0.000 1.447 497 D HN 0.083 nan 8.370 nan 0.000 0.479 513 L N 1.431 122.615 121.223 -0.064 0.000 2.379 513 L HA 0.689 5.029 4.340 0.001 0.000 0.269 513 L C -2.083 174.763 176.870 -0.039 0.000 1.084 513 L CA -1.924 52.826 54.840 -0.149 0.000 0.802 513 L CB -0.906 40.985 42.059 -0.279 0.000 1.175 513 L HN 0.125 nan 8.230 nan 0.000 0.448 514 P HA -0.045 nan 4.420 nan 0.000 0.263 514 P C 0.634 177.959 177.300 0.041 0.000 1.168 514 P CA 0.096 63.251 63.100 0.093 0.000 0.759 514 P CB 0.526 32.341 31.700 0.193 0.000 0.782 515 E N 4.428 124.671 120.200 0.072 0.000 2.070 515 E HA -0.183 4.168 4.350 0.001 0.000 0.197 515 E C -0.780 175.827 176.600 0.011 0.000 1.004 515 E CA 2.175 58.598 56.400 0.039 0.000 0.805 515 E CB -1.623 28.108 29.700 0.052 0.000 0.744 515 E HN 0.417 nan 8.360 nan 0.000 0.451 516 P HA -0.132 nan 4.420 nan 0.000 0.213 516 P C 1.805 178.952 177.300 -0.256 0.000 1.170 516 P CA 1.200 64.317 63.100 0.027 0.000 0.898 516 P CB -0.076 31.791 31.700 0.278 0.000 0.787 517 V N -0.278 119.369 119.914 -0.446 0.000 2.278 517 V HA -0.239 3.881 4.120 0.001 0.000 0.251 517 V C 2.462 178.343 176.094 -0.355 0.000 1.062 517 V CA 1.987 63.880 62.300 -0.678 0.000 1.038 517 V CB -1.435 30.108 31.823 -0.468 0.000 0.646 517 V HN -0.035 nan 8.190 nan 0.000 0.447 518 V N -0.151 119.648 119.914 -0.191 0.000 2.469 518 V HA -0.272 3.848 4.120 0.001 0.000 0.251 518 V C 2.322 178.359 176.094 -0.096 0.000 1.064 518 V CA 2.075 64.310 62.300 -0.108 0.000 1.066 518 V CB -0.710 31.084 31.823 -0.047 0.000 0.667 518 V HN 0.677 nan 8.190 nan 0.000 0.461 519 E N 0.589 120.726 120.200 -0.106 0.000 2.008 519 E HA -0.094 4.256 4.350 0.001 0.000 0.191 519 E C 2.427 178.982 176.600 -0.076 0.000 0.986 519 E CA 1.083 57.444 56.400 -0.066 0.000 0.807 519 E CB -0.482 29.198 29.700 -0.033 0.000 0.766 519 E HN 0.507 nan 8.360 nan 0.000 0.450 520 A N 1.626 124.373 122.820 -0.123 0.000 1.971 520 A HA -0.256 4.064 4.320 0.001 0.000 0.222 520 A C 2.218 179.759 177.584 -0.073 0.000 1.182 520 A CA 1.520 53.507 52.037 -0.084 0.000 0.649 520 A CB -0.926 17.985 19.000 -0.149 0.000 0.818 520 A HN 0.191 nan 8.150 nan 0.000 0.458 521 I N -0.275 120.228 120.570 -0.112 0.000 2.090 521 I HA -0.263 3.907 4.170 0.001 0.000 0.236 521 I C 2.962 179.060 176.117 -0.031 0.000 1.064 521 I CA 2.104 63.366 61.300 -0.063 0.000 1.324 521 I CB -0.758 37.198 38.000 -0.074 0.000 1.044 521 I HN 0.590 nan 8.210 nan 0.000 0.399 522 T N -1.708 112.825 114.554 -0.034 0.000 2.867 522 T HA -0.181 4.170 4.350 0.001 0.000 0.268 522 T C 1.765 176.455 174.700 -0.018 0.000 1.057 522 T CA 0.983 63.071 62.100 -0.020 0.000 1.136 522 T CB -0.386 68.472 68.868 -0.017 0.000 0.874 522 T HN 0.377 nan 8.240 nan 0.000 0.466 523 Q N 0.843 120.632 119.800 -0.018 0.000 2.079 523 Q HA 0.072 4.413 4.340 0.001 0.000 0.200 523 Q C 2.577 178.569 176.000 -0.013 0.000 0.974 523 Q CA 1.310 57.107 55.803 -0.010 0.000 0.840 523 Q CB -0.403 28.335 28.738 -0.000 0.000 0.898 523 Q HN 0.715 nan 8.270 nan 0.000 0.430 524 G N 0.358 109.149 108.800 -0.015 0.000 2.985 524 G HA2 -0.112 3.848 3.960 0.001 0.000 0.209 524 G HA3 -0.112 3.848 3.960 0.001 0.000 0.209 524 G C 0.000 174.873 174.900 -0.046 0.000 1.165 524 G CA 0.361 45.445 45.100 -0.027 0.000 0.776 524 G HN 0.482 nan 8.290 nan 0.000 0.541 525 D N -0.987 119.398 120.400 -0.025 0.000 2.751 525 D HA -0.179 4.461 4.640 0.001 0.000 0.233 525 D C 0.466 176.805 176.300 0.065 0.000 1.149 525 D CA 0.354 54.346 54.000 -0.013 0.000 0.682 525 D CB -1.542 39.220 40.800 -0.064 0.000 1.068 525 D HN 0.331 nan 8.370 nan 0.000 0.429 526 L N -0.810 120.467 121.223 0.090 0.000 2.468 526 L HA 0.472 4.813 4.340 0.001 0.000 0.254 526 L C 1.015 177.945 176.870 0.101 0.000 1.171 526 L CA -0.875 54.117 54.840 0.253 0.000 0.809 526 L CB 1.096 43.262 42.059 0.178 0.000 1.155 526 L HN 0.039 nan 8.230 nan 0.000 0.473 527 V N 1.833 121.743 119.914 -0.007 0.000 2.257 527 V HA 0.582 4.702 4.120 0.001 0.000 0.269 527 V C 0.309 176.348 176.094 -0.092 0.000 1.040 527 V CA -0.451 61.701 62.300 -0.246 0.000 0.813 527 V CB 0.699 32.068 31.823 -0.756 0.000 1.065 527 V HN 0.777 nan 8.190 nan 0.000 0.457 528 A N 6.049 128.848 122.820 -0.035 0.000 2.371 528 A HA 0.706 5.026 4.320 0.001 0.000 0.257 528 A C -0.168 177.406 177.584 -0.017 0.000 1.089 528 A CA -0.213 51.817 52.037 -0.012 0.000 0.794 528 A CB 0.986 19.975 19.000 -0.019 0.000 1.029 528 A HN 0.884 nan 8.150 nan 0.000 0.488 529 V N 0.847 120.746 119.914 -0.025 0.000 2.630 529 V HA 0.691 4.812 4.120 0.001 0.000 0.305 529 V C 0.786 176.876 176.094 -0.007 0.000 1.046 529 V CA 0.049 62.342 62.300 -0.012 0.000 0.934 529 V CB 1.809 33.578 31.823 -0.090 0.000 1.003 529 V HN 1.170 nan 8.190 nan 0.000 0.451 530 G N 2.399 111.212 108.800 0.021 0.000 2.626 530 G HA2 0.592 4.553 3.960 0.001 0.000 0.304 530 G HA3 0.592 4.553 3.960 0.001 0.000 0.304 530 G C -1.258 173.661 174.900 0.031 0.000 1.385 530 G CA -0.389 44.711 45.100 -0.000 0.000 0.957 530 G HN 0.519 nan 8.290 nan 0.000 0.504 531 V N 3.418 123.354 119.914 0.036 0.000 2.394 531 V HA 0.571 4.691 4.120 0.001 0.000 0.282 531 V C -0.119 176.017 176.094 0.071 0.000 1.031 531 V CA -0.431 61.917 62.300 0.080 0.000 0.881 531 V CB 1.016 32.910 31.823 0.118 0.000 0.982 531 V HN 0.593 nan 8.190 nan 0.000 0.451 532 L N 4.661 125.925 121.223 0.068 0.000 2.436 532 L HA 0.677 5.018 4.340 0.001 0.000 0.268 532 L C -0.123 176.791 176.870 0.073 0.000 0.974 532 L CA -0.430 54.432 54.840 0.036 0.000 0.826 532 L CB 2.356 44.374 42.059 -0.068 0.000 1.291 532 L HN 0.682 nan 8.230 nan 0.000 0.406 533 S N 1.373 117.112 115.700 0.065 0.000 2.501 533 S HA 0.982 5.453 4.470 0.001 0.000 0.301 533 S C -0.095 174.535 174.600 0.049 0.000 1.096 533 S CA -0.072 58.166 58.200 0.064 0.000 1.063 533 S CB 1.966 65.189 63.200 0.039 0.000 1.042 533 S HN 1.291 nan 8.310 nan 0.000 0.494 534 G N 2.354 111.187 108.800 0.056 0.000 2.592 534 G HA2 -0.065 3.896 3.960 0.001 0.000 0.685 534 G HA3 -0.065 3.896 3.960 0.001 0.000 0.685 534 G C -0.029 174.914 174.900 0.072 0.000 1.278 534 G CA -0.268 44.861 45.100 0.048 0.000 0.822 534 G HN 0.951 nan 8.290 nan 0.000 0.652 535 N N 0.151 118.891 118.700 0.067 0.000 2.392 535 N HA -0.023 4.718 4.740 0.001 0.000 0.177 535 N C 0.610 176.170 175.510 0.083 0.000 1.066 535 N CA -0.031 53.070 53.050 0.084 0.000 0.895 535 N CB 0.218 38.745 38.487 0.066 0.000 0.988 535 N HN 0.490 nan 8.380 nan 0.000 0.457 536 R N 2.637 123.173 120.500 0.061 0.000 2.637 536 R HA -0.011 4.330 4.340 0.001 0.000 0.331 536 R C -0.224 176.115 176.300 0.064 0.000 1.166 536 R CA 0.104 56.237 56.100 0.054 0.000 0.993 536 R CB -1.847 28.475 30.300 0.037 0.000 1.012 536 R HN 0.459 nan 8.270 nan 0.000 0.461 537 N N 1.104 119.855 118.700 0.084 0.000 4.088 537 N HA -0.287 4.453 4.740 0.001 0.000 0.318 537 N C -0.628 174.968 175.510 0.144 0.000 2.184 537 N CA 0.676 53.787 53.050 0.103 0.000 3.032 537 N CB -0.315 38.210 38.487 0.064 0.000 0.280 537 N HN 0.422 nan 8.380 nan 0.000 0.793 538 F N 2.887 122.849 119.950 0.021 0.000 2.539 538 F HA 0.321 4.849 4.527 0.001 0.000 0.277 538 F C 2.039 177.851 175.800 0.019 0.000 0.925 538 F CA 1.213 59.227 58.000 0.023 0.000 1.193 538 F CB -0.450 38.563 39.000 0.021 0.000 1.128 538 F HN 0.720 nan 8.300 nan 0.000 0.740 539 E N 0.067 120.557 120.200 0.483 0.000 2.396 539 E HA -0.085 4.265 4.350 0.001 0.000 0.200 539 E C 2.019 178.677 176.600 0.097 0.000 1.023 539 E CA 1.081 57.661 56.400 0.301 0.000 0.857 539 E CB -0.767 29.070 29.700 0.228 0.000 0.775 539 E HN 0.552 nan 8.360 nan 0.000 0.525 540 G N 2.666 111.498 108.800 0.053 0.000 2.456 540 G HA2 -0.238 3.722 3.960 0.001 0.000 0.213 540 G HA3 -0.238 3.722 3.960 0.001 0.000 0.213 540 G C 1.285 176.159 174.900 -0.043 0.000 1.215 540 G CA 0.292 45.395 45.100 0.004 0.000 0.805 540 G HN 0.320 nan 8.290 nan 0.000 0.537 541 R N 0.380 120.844 120.500 -0.061 0.000 4.860 541 R HA 0.401 4.742 4.340 0.001 0.000 0.191 541 R C -1.175 175.067 176.300 -0.096 0.000 1.936 541 R CA -0.132 55.925 56.100 -0.071 0.000 1.609 541 R CB 0.040 30.309 30.300 -0.051 0.000 1.392 541 R HN 0.059 nan 8.270 nan 0.000 0.844 542 V N 2.466 122.327 119.914 -0.087 0.000 2.380 542 V HA 0.090 4.210 4.120 0.001 0.000 0.268 542 V C -0.497 175.590 176.094 -0.012 0.000 1.008 542 V CA -1.027 61.236 62.300 -0.061 0.000 0.823 542 V CB 0.425 32.212 31.823 -0.061 0.000 1.053 542 V HN 0.594 nan 8.190 nan 0.000 0.446 543 H N 6.743 125.785 119.070 -0.046 0.000 3.094 543 H HA 0.039 4.596 4.556 0.001 0.000 0.320 543 H C -1.113 174.205 175.328 -0.017 0.000 1.000 543 H CA -0.395 55.635 56.048 -0.030 0.000 1.413 543 H CB 0.867 30.608 29.762 -0.034 0.000 1.405 543 H HN 0.362 nan 8.280 nan 0.000 0.586 544 P HA -0.158 nan 4.420 nan 0.000 0.223 544 P C 0.152 177.485 177.300 0.056 0.000 1.144 544 P CA 1.141 64.267 63.100 0.043 0.000 0.783 544 P CB 0.367 32.078 31.700 0.018 0.000 0.771 545 N N -0.256 118.493 118.700 0.082 0.000 2.521 545 N HA -0.022 4.718 4.740 0.001 0.000 0.188 545 N C 0.019 175.544 175.510 0.025 0.000 1.146 545 N CA 0.685 53.760 53.050 0.041 0.000 0.893 545 N CB -0.426 38.075 38.487 0.024 0.000 0.975 545 N HN 0.273 nan 8.380 nan 0.000 0.451 546 T N -2.936 111.646 114.554 0.047 0.000 2.892 546 T HA 0.385 4.735 4.350 0.001 0.000 0.311 546 T C 0.616 175.349 174.700 0.055 0.000 1.033 546 T CA -0.839 61.281 62.100 0.033 0.000 0.991 546 T CB 1.697 70.582 68.868 0.029 0.000 0.981 546 T HN -0.072 nan 8.240 nan 0.000 0.457 547 R N 1.514 122.046 120.500 0.053 0.000 2.276 547 R HA 0.317 4.658 4.340 0.001 0.000 0.203 547 R C 0.767 177.206 176.300 0.231 0.000 1.017 547 R CA 0.372 56.548 56.100 0.127 0.000 1.010 547 R CB 0.246 30.616 30.300 0.117 0.000 0.900 547 R HN 0.773 nan 8.270 nan 0.000 0.469 548 A N 1.170 124.075 122.820 0.142 0.000 2.330 548 A HA 0.528 4.849 4.320 0.001 0.000 0.313 548 A C -1.058 176.554 177.584 0.046 0.000 1.124 548 A CA -0.773 51.370 52.037 0.175 0.000 0.774 548 A CB 0.894 20.044 19.000 0.249 0.000 1.198 548 A HN 0.074 nan 8.150 nan 0.000 0.465 549 N N 0.918 119.569 118.700 -0.082 0.000 2.336 549 N HA 0.498 5.239 4.740 0.001 0.000 0.290 549 N C -1.943 173.442 175.510 -0.209 0.000 1.058 549 N CA -0.089 52.916 53.050 -0.076 0.000 0.865 549 N CB 1.748 40.194 38.487 -0.068 0.000 1.581 549 N HN 0.573 nan 8.380 nan 0.000 0.480 550 Y N 0.349 120.708 120.300 0.099 0.000 2.536 550 Y HA 0.542 5.092 4.550 0.001 0.000 0.347 550 Y C 0.018 176.005 175.900 0.144 0.000 1.000 550 Y CA -0.786 57.399 58.100 0.141 0.000 1.051 550 Y CB 2.034 40.514 38.460 0.033 0.000 1.259 550 Y HN 0.216 nan 8.280 nan 0.000 0.468 551 L N 2.641 124.082 121.223 0.363 0.000 2.307 551 L HA 0.885 5.226 4.340 0.001 0.000 0.284 551 L C -0.219 176.795 176.870 0.240 0.000 1.023 551 L CA -0.464 54.539 54.840 0.270 0.000 0.810 551 L CB 1.277 43.512 42.059 0.293 0.000 1.231 551 L HN 0.847 nan 8.230 nan 0.000 0.423 552 A N 1.712 124.652 122.820 0.200 0.000 2.567 552 A HA 0.737 5.057 4.320 0.001 0.000 0.289 552 A C -0.577 177.092 177.584 0.142 0.000 1.177 552 A CA -0.488 51.666 52.037 0.195 0.000 0.694 552 A CB 1.566 20.729 19.000 0.271 0.000 1.292 552 A HN 0.608 nan 8.150 nan 0.000 0.425 553 S N 0.281 116.063 115.700 0.135 0.000 2.576 553 S HA 0.390 4.860 4.470 0.001 0.000 0.276 553 S C -1.944 172.678 174.600 0.036 0.000 1.339 553 S CA -0.459 57.793 58.200 0.086 0.000 1.039 553 S CB 0.705 63.975 63.200 0.116 0.000 0.902 553 S HN 0.353 nan 8.310 nan 0.000 0.516 554 P HA -0.167 nan 4.420 nan 0.000 0.219 554 P C -1.238 175.963 177.300 -0.164 0.000 1.161 554 P CA 1.896 64.937 63.100 -0.099 0.000 0.909 554 P CB -1.138 30.485 31.700 -0.128 0.000 0.793 555 P HA -0.146 nan 4.420 nan 0.000 0.217 555 P C 1.680 178.866 177.300 -0.191 0.000 1.150 555 P CA 1.263 64.138 63.100 -0.375 0.000 0.832 555 P CB -0.322 30.909 31.700 -0.781 0.000 0.787 556 L N -0.371 120.864 121.223 0.019 0.000 2.141 556 L HA -0.091 4.249 4.340 0.001 0.000 0.209 556 L C 2.631 179.557 176.870 0.093 0.000 1.094 556 L CA 1.344 56.238 54.840 0.090 0.000 0.763 556 L CB -1.163 40.999 42.059 0.173 0.000 0.908 556 L HN -0.224 nan 8.230 nan 0.000 0.437 557 V N -0.334 119.641 119.914 0.101 0.000 2.237 557 V HA -0.330 3.790 4.120 0.001 0.000 0.245 557 V C 2.407 178.561 176.094 0.101 0.000 1.046 557 V CA 2.256 64.644 62.300 0.147 0.000 1.007 557 V CB -0.362 31.502 31.823 0.067 0.000 0.638 557 V HN 0.359 nan 8.190 nan 0.000 0.445 558 I N 0.165 120.684 120.570 -0.085 0.000 2.248 558 I HA -0.312 3.859 4.170 0.001 0.000 0.248 558 I C 2.603 178.732 176.117 0.019 0.000 1.107 558 I CA 1.558 62.788 61.300 -0.117 0.000 1.373 558 I CB -0.593 37.211 38.000 -0.326 0.000 1.055 558 I HN 0.342 nan 8.210 nan 0.000 0.418 559 A N 0.261 123.068 122.820 -0.022 0.000 1.845 559 A HA -0.248 4.072 4.320 0.001 0.000 0.215 559 A C 2.155 179.800 177.584 0.103 0.000 1.195 559 A CA 1.450 53.473 52.037 -0.023 0.000 0.616 559 A CB -1.275 17.609 19.000 -0.194 0.000 0.832 559 A HN 0.446 nan 8.150 nan 0.000 0.443 560 Y N -0.321 120.088 120.300 0.182 0.000 2.556 560 Y HA -0.119 4.431 4.550 0.001 0.000 0.290 560 Y C 2.577 178.537 175.900 0.099 0.000 1.149 560 Y CA 0.382 58.588 58.100 0.176 0.000 1.329 560 Y CB -0.036 38.499 38.460 0.125 0.000 0.975 560 Y HN 0.411 nan 8.280 nan 0.000 0.561 561 A N -0.513 122.448 122.820 0.235 0.000 1.997 561 A HA 0.027 4.347 4.320 0.001 0.000 0.212 561 A C 1.950 179.585 177.584 0.086 0.000 1.178 561 A CA 0.436 52.559 52.037 0.143 0.000 0.698 561 A CB -0.467 18.662 19.000 0.216 0.000 0.842 561 A HN 0.429 nan 8.150 nan 0.000 0.458 562 I N -0.126 120.510 120.570 0.110 0.000 2.394 562 I HA -0.203 3.967 4.170 0.001 0.000 0.251 562 I C 2.729 178.890 176.117 0.073 0.000 1.136 562 I CA 1.054 62.401 61.300 0.078 0.000 1.425 562 I CB -0.096 37.953 38.000 0.081 0.000 1.079 562 I HN 0.349 nan 8.210 nan 0.000 0.425 563 A N 0.048 122.937 122.820 0.115 0.000 1.975 563 A HA 0.237 4.557 4.320 0.001 0.000 0.215 563 A C 2.074 179.701 177.584 0.071 0.000 1.170 563 A CA 1.048 53.144 52.037 0.098 0.000 0.656 563 A CB -0.516 18.568 19.000 0.141 0.000 0.821 563 A HN 0.499 nan 8.150 nan 0.000 0.449 564 G N -2.148 106.697 108.800 0.075 0.000 2.179 564 G HA2 -0.164 3.796 3.960 0.001 0.000 0.260 564 G HA3 -0.164 3.796 3.960 0.001 0.000 0.260 564 G C 0.407 175.342 174.900 0.059 0.000 0.977 564 G CA 1.142 46.272 45.100 0.050 0.000 0.641 564 G HN 1.547 nan 8.290 nan 0.000 0.533 565 T N -1.185 113.403 114.554 0.056 0.000 2.885 565 T HA 0.526 4.876 4.350 0.001 0.000 0.322 565 T C 0.993 175.663 174.700 -0.050 0.000 1.387 565 T CA 0.031 62.118 62.100 -0.021 0.000 1.041 565 T CB 1.030 69.885 68.868 -0.021 0.000 1.287 565 T HN 1.010 nan 8.240 nan 0.000 0.491 566 I N 0.551 120.964 120.570 -0.261 0.000 3.883 566 I HA 0.463 4.633 4.170 0.001 0.000 0.326 566 I C 1.093 177.042 176.117 -0.280 0.000 1.283 566 I CA -0.243 60.837 61.300 -0.368 0.000 1.161 566 I CB 0.012 37.526 38.000 -0.810 0.000 1.012 566 I HN 0.310 nan 8.210 nan 0.000 0.421 567 R N 2.349 122.722 120.500 -0.213 0.000 4.031 567 R HA 0.481 4.821 4.340 0.001 0.000 0.269 567 R C -0.346 175.904 176.300 -0.083 0.000 1.668 567 R CA -0.075 55.980 56.100 -0.076 0.000 1.432 567 R CB 0.030 30.353 30.300 0.039 0.000 1.374 567 R HN 0.466 nan 8.270 nan 0.000 0.681 568 I N -0.641 119.824 120.570 -0.174 0.000 2.689 568 I HA 0.254 4.424 4.170 0.001 0.000 0.299 568 I C -1.383 174.525 176.117 -0.348 0.000 1.059 568 I CA -0.919 60.217 61.300 -0.273 0.000 1.055 568 I CB 2.573 40.320 38.000 -0.422 0.000 1.243 568 I HN 0.002 nan 8.210 nan 0.000 0.425 569 D N 5.073 125.326 120.400 -0.247 0.000 2.477 569 D HA 0.288 4.928 4.640 0.001 0.000 0.239 569 D C 0.490 176.740 176.300 -0.084 0.000 1.102 569 D CA -0.310 53.608 54.000 -0.137 0.000 0.901 569 D CB 0.299 41.085 40.800 -0.024 0.000 1.026 569 D HN 0.420 nan 8.370 nan 0.000 0.515 570 F N 1.248 121.213 119.950 0.024 0.000 2.225 570 F HA -0.199 4.328 4.527 0.001 0.000 0.302 570 F C 2.017 177.892 175.800 0.125 0.000 1.068 570 F CA 1.021 59.044 58.000 0.039 0.000 1.327 570 F CB -0.062 38.914 39.000 -0.041 0.000 1.043 570 F HN 0.461 nan 8.300 nan 0.000 0.506 571 E N 0.150 120.492 120.200 0.236 0.000 2.216 571 E HA -0.171 4.179 4.350 0.001 0.000 0.192 571 E C 1.924 178.634 176.600 0.184 0.000 0.988 571 E CA 1.279 57.777 56.400 0.164 0.000 0.834 571 E CB -0.059 29.690 29.700 0.082 0.000 0.772 571 E HN 0.528 nan 8.360 nan 0.000 0.479 572 K N 0.191 120.715 120.400 0.207 0.000 2.450 572 K HA 0.199 4.520 4.320 0.001 0.000 0.206 572 K C 0.021 176.820 176.600 0.332 0.000 1.148 572 K CA 0.010 56.437 56.287 0.234 0.000 1.014 572 K CB 0.655 33.227 32.500 0.119 0.000 0.966 572 K HN -0.132 nan 8.250 nan 0.000 0.566 573 E N 3.645 123.971 120.200 0.209 0.000 2.176 573 E HA 0.302 4.653 4.350 0.001 0.000 0.267 573 E C -2.598 173.786 176.600 -0.360 0.000 0.893 573 E CA -2.822 53.565 56.400 -0.020 0.000 0.761 573 E CB 1.824 31.479 29.700 -0.075 0.000 1.133 573 E HN 0.092 nan 8.360 nan 0.000 0.409 574 P HA 0.000 nan 4.420 nan 0.000 0.272 574 P C 0.452 177.484 177.300 -0.447 0.000 1.223 574 P CA -0.066 62.278 63.100 -1.261 0.000 0.784 574 P CB 1.277 32.322 31.700 -1.090 0.000 0.923 575 L N 0.390 121.458 121.223 -0.258 0.000 2.217 575 L HA 0.121 4.462 4.340 0.001 0.000 0.211 575 L C 1.221 178.060 176.870 -0.051 0.000 1.107 575 L CA 1.384 56.197 54.840 -0.045 0.000 0.783 575 L CB -0.448 41.645 42.059 0.057 0.000 0.919 575 L HN 0.660 nan 8.230 nan 0.000 0.442 576 G N -1.185 107.563 108.800 -0.088 0.000 2.299 576 G HA2 0.093 4.053 3.960 0.001 0.000 0.312 576 G HA3 0.093 4.053 3.960 0.001 0.000 0.312 576 G C -0.722 174.154 174.900 -0.039 0.000 1.654 576 G CA -0.773 44.301 45.100 -0.043 0.000 0.912 576 G HN -0.255 nan 8.290 nan 0.000 0.667 577 T N 2.561 117.097 114.554 -0.031 0.000 2.758 577 T HA 0.079 4.430 4.350 0.001 0.000 0.281 577 T C 1.090 175.797 174.700 0.011 0.000 0.963 577 T CA 0.325 62.419 62.100 -0.009 0.000 1.201 577 T CB 0.010 68.877 68.868 -0.001 0.000 0.906 577 T HN 0.739 nan 8.240 nan 0.000 0.528 578 N N 2.698 121.411 118.700 0.022 0.000 2.098 578 N HA -0.134 4.607 4.740 0.001 0.000 0.268 578 N C 1.333 176.860 175.510 0.029 0.000 1.238 578 N CA 0.686 53.755 53.050 0.031 0.000 0.822 578 N CB 0.254 38.765 38.487 0.040 0.000 1.063 578 N HN 0.659 nan 8.380 nan 0.000 0.471 579 A N 3.532 126.370 122.820 0.030 0.000 2.093 579 A HA -0.233 4.088 4.320 0.001 0.000 0.222 579 A C 1.973 179.572 177.584 0.025 0.000 1.162 579 A CA 1.980 54.034 52.037 0.028 0.000 0.655 579 A CB -0.455 18.562 19.000 0.029 0.000 0.805 579 A HN 0.841 nan 8.150 nan 0.000 0.461 580 K N -2.241 118.174 120.400 0.026 0.000 2.315 580 K HA 0.278 4.599 4.320 0.001 0.000 0.215 580 K C 1.668 178.283 176.600 0.024 0.000 1.047 580 K CA 0.905 57.206 56.287 0.024 0.000 1.020 580 K CB -0.176 32.340 32.500 0.025 0.000 1.211 580 K HN 0.228 nan 8.250 nan 0.000 0.462 581 G N 0.489 109.306 108.800 0.028 0.000 2.619 581 G HA2 0.029 3.990 3.960 0.001 0.000 0.201 581 G HA3 0.029 3.990 3.960 0.001 0.000 0.201 581 G C -0.293 174.628 174.900 0.036 0.000 1.188 581 G CA -0.247 44.870 45.100 0.028 0.000 0.663 581 G HN 0.534 nan 8.290 nan 0.000 0.757 582 Q N 0.806 120.632 119.800 0.044 0.000 2.616 582 Q HA 0.064 4.404 4.340 0.001 0.000 0.269 582 Q C -0.854 175.185 176.000 0.065 0.000 1.148 582 Q CA 0.659 56.498 55.803 0.060 0.000 1.003 582 Q CB 0.128 28.907 28.738 0.067 0.000 1.322 582 Q HN 0.471 nan 8.270 nan 0.000 0.518 583 Q N 0.067 119.928 119.800 0.101 0.000 2.282 583 Q HA 0.595 4.935 4.340 0.001 0.000 0.260 583 Q C -0.991 175.107 176.000 0.164 0.000 0.964 583 Q CA -0.708 55.149 55.803 0.089 0.000 0.880 583 Q CB 2.446 31.257 28.738 0.121 0.000 1.286 583 Q HN 0.497 nan 8.270 nan 0.000 0.445 584 V N 3.707 123.666 119.914 0.075 0.000 2.448 584 V HA 0.552 4.673 4.120 0.001 0.000 0.295 584 V C -1.414 174.743 176.094 0.105 0.000 1.025 584 V CA -0.415 61.980 62.300 0.158 0.000 0.859 584 V CB 0.489 32.371 31.823 0.098 0.000 0.988 584 V HN 0.606 nan 8.190 nan 0.000 0.431 585 F N 4.723 124.714 119.950 0.067 0.000 2.411 585 F HA 0.495 5.023 4.527 0.001 0.000 0.324 585 F C 0.857 176.710 175.800 0.088 0.000 1.086 585 F CA -0.622 57.432 58.000 0.089 0.000 1.028 585 F CB 1.118 40.163 39.000 0.075 0.000 1.284 585 F HN 0.475 nan 8.300 nan 0.000 0.501 586 L N 2.105 123.505 121.223 0.295 0.000 2.079 586 L HA -0.176 4.165 4.340 0.001 0.000 0.210 586 L C 2.629 179.583 176.870 0.140 0.000 1.081 586 L CA 1.801 56.717 54.840 0.127 0.000 0.752 586 L CB -0.800 41.186 42.059 -0.121 0.000 0.896 586 L HN 0.690 nan 8.230 nan 0.000 0.433 587 R N -1.066 119.520 120.500 0.144 0.000 2.120 587 R HA -0.154 4.187 4.340 0.001 0.000 0.234 587 R C 1.409 177.781 176.300 0.120 0.000 1.123 587 R CA 1.707 57.864 56.100 0.094 0.000 0.975 587 R CB -1.008 29.315 30.300 0.038 0.000 0.866 587 R HN 0.361 nan 8.270 nan 0.000 0.446 588 D N 1.372 121.859 120.400 0.144 0.000 2.310 588 D HA -0.073 4.568 4.640 0.001 0.000 0.212 588 D C 1.898 178.258 176.300 0.100 0.000 0.965 588 D CA 1.456 55.525 54.000 0.116 0.000 0.879 588 D CB 0.095 40.978 40.800 0.139 0.000 0.921 588 D HN 0.643 nan 8.370 nan 0.000 0.510 589 I N -5.051 115.588 120.570 0.115 0.000 4.288 589 I HA 0.199 4.370 4.170 0.001 0.000 0.331 589 I C 0.410 176.569 176.117 0.069 0.000 1.322 589 I CA -0.632 60.712 61.300 0.072 0.000 1.149 589 I CB 0.450 38.480 38.000 0.050 0.000 1.112 589 I HN -0.188 nan 8.210 nan 0.000 0.403 590 W N 7.179 128.440 121.300 -0.065 0.000 2.419 590 W HA 0.358 5.019 4.660 0.001 0.000 0.312 590 W C -2.458 174.022 176.519 -0.066 0.000 1.323 590 W CA -1.933 55.358 57.345 -0.089 0.000 1.293 590 W CB 0.685 30.075 29.460 -0.117 0.000 1.324 590 W HN 0.045 nan 8.180 nan 0.000 0.512 591 P HA 0.012 nan 4.420 nan 0.000 0.271 591 P C 0.197 177.526 177.300 0.048 0.000 1.220 591 P CA 0.241 63.289 63.100 -0.087 0.000 0.768 591 P CB 1.026 32.603 31.700 -0.205 0.000 0.848 592 T N 0.725 115.332 114.554 0.087 0.000 2.860 592 T HA 0.175 4.526 4.350 0.001 0.000 0.299 592 T C 1.509 176.243 174.700 0.056 0.000 1.045 592 T CA -0.554 61.610 62.100 0.107 0.000 1.071 592 T CB 0.808 69.715 68.868 0.066 0.000 0.985 592 T HN 0.318 nan 8.240 nan 0.000 0.537 593 R N 0.806 121.342 120.500 0.060 0.000 2.127 593 R HA -0.120 4.221 4.340 0.001 0.000 0.238 593 R C 2.256 178.564 176.300 0.014 0.000 1.134 593 R CA 1.745 57.863 56.100 0.030 0.000 0.975 593 R CB -0.355 29.961 30.300 0.025 0.000 0.865 593 R HN 0.716 nan 8.270 nan 0.000 0.447 594 E N 0.972 121.180 120.200 0.014 0.000 2.051 594 E HA -0.178 4.173 4.350 0.001 0.000 0.192 594 E C 1.841 178.446 176.600 0.008 0.000 0.991 594 E CA 1.374 57.779 56.400 0.009 0.000 0.799 594 E CB -0.133 29.572 29.700 0.008 0.000 0.748 594 E HN 0.434 nan 8.360 nan 0.000 0.449 595 E N 0.446 120.650 120.200 0.007 0.000 2.031 595 E HA -0.178 4.173 4.350 0.001 0.000 0.193 595 E C 2.247 178.849 176.600 0.003 0.000 0.994 595 E CA 1.113 57.514 56.400 0.002 0.000 0.800 595 E CB -0.330 29.366 29.700 -0.008 0.000 0.752 595 E HN 0.237 nan 8.360 nan 0.000 0.447 596 I N 1.519 122.086 120.570 -0.005 0.000 2.118 596 I HA -0.369 3.801 4.170 0.001 0.000 0.241 596 I C 2.606 178.744 176.117 0.035 0.000 1.070 596 I CA 1.580 62.883 61.300 0.005 0.000 1.327 596 I CB -0.364 37.630 38.000 -0.009 0.000 1.034 596 I HN 0.140 nan 8.210 nan 0.000 0.405 597 Q N 0.337 120.154 119.800 0.027 0.000 2.170 597 Q HA -0.184 4.157 4.340 0.001 0.000 0.203 597 Q C 2.438 178.451 176.000 0.022 0.000 0.976 597 Q CA 1.547 57.370 55.803 0.033 0.000 0.858 597 Q CB -0.291 28.457 28.738 0.017 0.000 0.907 597 Q HN 0.619 nan 8.270 nan 0.000 0.433 598 A N 0.507 123.334 122.820 0.012 0.000 1.858 598 A HA -0.150 4.170 4.320 0.001 0.000 0.216 598 A C 2.357 179.938 177.584 -0.005 0.000 1.190 598 A CA 1.441 53.476 52.037 -0.004 0.000 0.617 598 A CB -0.824 18.178 19.000 0.003 0.000 0.827 598 A HN 0.206 nan 8.150 nan 0.000 0.443 599 V N 0.198 120.137 119.914 0.043 0.000 2.295 599 V HA -0.299 3.822 4.120 0.001 0.000 0.246 599 V C 2.553 178.688 176.094 0.069 0.000 1.049 599 V CA 2.420 64.788 62.300 0.115 0.000 1.024 599 V CB -0.790 31.105 31.823 0.120 0.000 0.648 599 V HN 0.800 nan 8.190 nan 0.000 0.447 600 E N 1.009 121.236 120.200 0.046 0.000 2.049 600 E HA -0.319 4.031 4.350 0.001 0.000 0.198 600 E C 2.370 178.948 176.600 -0.037 0.000 1.007 600 E CA 2.168 58.577 56.400 0.014 0.000 0.809 600 E CB -0.194 29.569 29.700 0.105 0.000 0.749 600 E HN 0.727 nan 8.360 nan 0.000 0.450 601 R N 0.026 120.505 120.500 -0.035 0.000 2.236 601 R HA -0.063 4.278 4.340 0.001 0.000 0.208 601 R C 2.192 178.393 176.300 -0.165 0.000 1.036 601 R CA 1.263 57.320 56.100 -0.072 0.000 1.001 601 R CB -0.156 30.119 30.300 -0.041 0.000 0.896 601 R HN 0.228 nan 8.270 nan 0.000 0.464 602 Q N -0.436 119.211 119.800 -0.256 0.000 2.123 602 Q HA -0.020 4.320 4.340 0.001 0.000 0.196 602 Q C 0.598 176.156 176.000 -0.736 0.000 0.958 602 Q CA 1.274 56.740 55.803 -0.562 0.000 0.841 602 Q CB 0.255 28.511 28.738 -0.803 0.000 0.915 602 Q HN 0.528 nan 8.270 nan 0.000 0.455 603 Y N -2.916 117.356 120.300 -0.048 0.000 2.652 603 Y HA 0.111 4.662 4.550 0.001 0.000 0.275 603 Y C 1.812 177.670 175.900 -0.071 0.000 1.133 603 Y CA -0.130 57.942 58.100 -0.046 0.000 1.246 603 Y CB 0.415 38.853 38.460 -0.036 0.000 1.334 603 Y HN -0.160 nan 8.280 nan 0.000 0.493 604 V N 0.578 120.498 119.914 0.011 0.000 2.323 604 V HA -0.222 3.898 4.120 0.001 0.000 0.244 604 V C 2.093 178.095 176.094 -0.153 0.000 1.041 604 V CA 1.450 63.660 62.300 -0.150 0.000 1.025 604 V CB -0.421 31.120 31.823 -0.471 0.000 0.656 604 V HN 0.293 nan 8.190 nan 0.000 0.451 605 I N 0.166 120.666 120.570 -0.117 0.000 2.202 605 I HA -0.085 4.085 4.170 0.001 0.000 0.242 605 I C 0.095 176.219 176.117 0.011 0.000 1.091 605 I CA 1.612 62.890 61.300 -0.036 0.000 1.368 605 I CB -2.659 35.298 38.000 -0.071 0.000 1.058 605 I HN 0.333 nan 8.210 nan 0.000 0.410 606 P HA -0.080 nan 4.420 nan 0.000 0.215 606 P C 1.807 179.138 177.300 0.051 0.000 1.157 606 P CA 1.685 64.786 63.100 0.001 0.000 0.863 606 P CB -0.233 31.446 31.700 -0.036 0.000 0.787 607 G N -0.251 108.571 108.800 0.037 0.000 2.459 607 G HA2 -0.325 3.636 3.960 0.001 0.000 0.217 607 G HA3 -0.325 3.636 3.960 0.001 0.000 0.217 607 G C 1.609 176.501 174.900 -0.013 0.000 1.183 607 G CA 1.188 46.321 45.100 0.056 0.000 0.776 607 G HN 0.209 nan 8.290 nan 0.000 0.552 608 M N -0.922 118.587 119.600 -0.152 0.000 2.149 608 M HA -0.012 4.469 4.480 0.001 0.000 0.261 608 M C 2.192 178.163 176.300 -0.548 0.000 1.064 608 M CA 1.537 56.485 55.300 -0.587 0.000 1.102 608 M CB -0.119 32.078 32.600 -0.673 0.000 1.369 608 M HN 0.246 nan 8.290 nan 0.000 0.408 609 F N -0.665 119.111 119.950 -0.290 0.000 2.335 609 F HA -0.071 4.457 4.527 0.001 0.000 0.296 609 F C 2.405 178.032 175.800 -0.289 0.000 1.091 609 F CA 1.306 59.107 58.000 -0.333 0.000 1.399 609 F CB -0.589 38.239 39.000 -0.287 0.000 1.067 609 F HN 0.086 nan 8.300 nan 0.000 0.520 610 T N -0.634 113.998 114.554 0.130 0.000 2.746 610 T HA -0.223 4.127 4.350 0.001 0.000 0.267 610 T C 1.838 176.627 174.700 0.148 0.000 1.039 610 T CA 1.680 63.962 62.100 0.304 0.000 1.142 610 T CB -0.199 68.784 68.868 0.192 0.000 0.866 610 T HN 0.136 nan 8.240 nan 0.000 0.444 611 E N 1.067 121.271 120.200 0.007 0.000 2.058 611 E HA -0.115 4.236 4.350 0.001 0.000 0.194 611 E C 2.103 178.641 176.600 -0.103 0.000 0.997 611 E CA 1.240 57.632 56.400 -0.014 0.000 0.801 611 E CB -0.761 28.952 29.700 0.022 0.000 0.746 611 E HN 0.276 nan 8.360 nan 0.000 0.450 612 V N 0.454 120.197 119.914 -0.286 0.000 2.282 612 V HA -0.317 3.804 4.120 0.001 0.000 0.249 612 V C 2.000 177.857 176.094 -0.396 0.000 1.057 612 V CA 2.213 64.255 62.300 -0.431 0.000 1.032 612 V CB -0.872 30.523 31.823 -0.714 0.000 0.645 612 V HN 0.292 nan 8.190 nan 0.000 0.447 613 Y N 0.669 120.835 120.300 -0.224 0.000 1.979 613 Y HA -0.346 4.205 4.550 0.001 0.000 0.262 613 Y C 2.752 178.584 175.900 -0.113 0.000 1.142 613 Y CA 2.070 60.076 58.100 -0.156 0.000 1.096 613 Y CB -1.259 37.196 38.460 -0.008 0.000 0.958 613 Y HN 0.208 nan 8.280 nan 0.000 0.484 614 Q N 0.198 120.079 119.800 0.136 0.000 2.065 614 Q HA -0.317 4.023 4.340 0.001 0.000 0.213 614 Q C 2.026 178.036 176.000 0.016 0.000 1.012 614 Q CA 2.564 58.405 55.803 0.063 0.000 0.876 614 Q CB -0.404 28.366 28.738 0.052 0.000 0.954 614 Q HN 0.452 nan 8.270 nan 0.000 0.413 615 K N -0.225 120.161 120.400 -0.022 0.000 2.442 615 K HA -0.136 4.185 4.320 0.001 0.000 0.200 615 K C 1.659 178.237 176.600 -0.037 0.000 1.045 615 K CA 0.810 57.077 56.287 -0.034 0.000 0.937 615 K CB 0.000 32.465 32.500 -0.058 0.000 0.757 615 K HN 0.331 nan 8.250 nan 0.000 0.474 616 I N -0.423 120.119 120.570 -0.047 0.000 2.962 616 I HA -0.143 4.028 4.170 0.001 0.000 0.246 616 I C 2.411 178.549 176.117 0.034 0.000 1.091 616 I CA 0.166 61.453 61.300 -0.022 0.000 1.469 616 I CB -0.211 37.744 38.000 -0.074 0.000 1.324 616 I HN 0.122 nan 8.210 nan 0.000 0.461 617 E N 1.237 121.470 120.200 0.054 0.000 2.164 617 E HA -0.358 3.993 4.350 0.001 0.000 0.206 617 E C 1.920 178.550 176.600 0.050 0.000 1.032 617 E CA 2.822 59.262 56.400 0.067 0.000 0.832 617 E CB -0.019 29.724 29.700 0.071 0.000 0.742 617 E HN 0.623 nan 8.360 nan 0.000 0.460 618 T N -1.796 112.782 114.554 0.041 0.000 2.852 618 T HA -0.030 4.320 4.350 0.001 0.000 0.256 618 T C 2.011 176.739 174.700 0.045 0.000 1.038 618 T CA 0.956 63.079 62.100 0.038 0.000 1.141 618 T CB -0.591 68.295 68.868 0.030 0.000 0.869 618 T HN 0.113 nan 8.240 nan 0.000 0.439 619 V N 2.344 122.286 119.914 0.046 0.000 2.490 619 V HA -0.170 3.951 4.120 0.001 0.000 0.250 619 V C 2.105 178.251 176.094 0.087 0.000 1.061 619 V CA 2.254 64.591 62.300 0.062 0.000 1.064 619 V CB -0.981 30.873 31.823 0.052 0.000 0.670 619 V HN 0.602 nan 8.190 nan 0.000 0.461 620 N N -0.065 118.683 118.700 0.081 0.000 2.290 620 N HA 0.020 4.760 4.740 0.001 0.000 0.179 620 N C 1.826 177.379 175.510 0.071 0.000 1.016 620 N CA 0.948 54.051 53.050 0.089 0.000 0.871 620 N CB -0.248 38.288 38.487 0.082 0.000 0.987 620 N HN 0.525 nan 8.380 nan 0.000 0.431 621 A N 0.455 123.310 122.820 0.058 0.000 2.234 621 A HA -0.046 4.274 4.320 0.001 0.000 0.216 621 A C 1.358 178.971 177.584 0.047 0.000 1.167 621 A CA 0.851 52.915 52.037 0.045 0.000 0.698 621 A CB -0.179 18.844 19.000 0.038 0.000 0.779 621 A HN 0.221 nan 8.150 nan 0.000 0.475 631 D N 2.188 122.622 120.400 0.057 0.000 2.458 631 D HA 0.235 4.875 4.640 0.001 0.000 0.243 631 D C 0.460 176.830 176.300 0.118 0.000 1.146 631 D CA -0.112 53.959 54.000 0.118 0.000 0.877 631 D CB 0.777 41.699 40.800 0.204 0.000 1.176 631 D HN 0.266 nan 8.370 nan 0.000 0.461 632 K N 0.981 121.407 120.400 0.043 0.000 2.243 632 K HA 0.095 4.415 4.320 0.001 0.000 0.201 632 K C 0.674 177.371 176.600 0.162 0.000 1.051 632 K CA 0.240 56.498 56.287 -0.050 0.000 0.970 632 K CB 0.225 32.681 32.500 -0.073 0.000 0.755 632 K HN 0.336 nan 8.250 nan 0.000 0.465 633 L N 0.048 121.420 121.223 0.248 0.000 2.352 633 L HA 0.285 4.626 4.340 0.001 0.000 0.269 633 L C -0.349 176.655 176.870 0.223 0.000 1.034 633 L CA -0.975 54.036 54.840 0.286 0.000 0.806 633 L CB 0.377 42.531 42.059 0.158 0.000 1.244 633 L HN 0.031 nan 8.230 nan 0.000 0.447 634 Y N 2.089 122.211 120.300 -0.295 0.000 2.335 634 Y HA 0.420 4.970 4.550 0.001 0.000 0.339 634 Y C -0.185 175.199 175.900 -0.861 0.000 0.987 634 Y CA -1.155 56.325 58.100 -1.035 0.000 1.140 634 Y CB 1.019 38.378 38.460 -1.835 0.000 1.173 634 Y HN 0.326 nan 8.280 nan 0.000 0.486 635 L N 4.917 125.433 121.223 -1.178 0.000 2.401 635 L HA 0.294 4.635 4.340 0.001 0.000 0.283 635 L C -1.003 175.343 176.870 -0.874 0.000 1.151 635 L CA -1.063 53.336 54.840 -0.734 0.000 0.942 635 L CB -1.287 40.493 42.059 -0.464 0.000 1.283 635 L HN 0.446 nan 8.230 nan 0.000 0.442 636 W N 1.400 122.483 121.300 -0.362 0.000 2.231 636 W HA 0.173 4.834 4.660 0.001 0.000 0.341 636 W C 1.028 177.484 176.519 -0.106 0.000 1.298 636 W CA -0.081 57.197 57.345 -0.112 0.000 1.266 636 W CB 0.068 29.561 29.460 0.055 0.000 1.172 636 W HN 0.481 nan 8.180 nan 0.000 0.568 637 N N 3.490 122.301 118.700 0.186 0.000 2.457 637 N HA 0.223 4.963 4.740 0.001 0.000 0.250 637 N C -1.733 173.850 175.510 0.121 0.000 0.982 637 N CA -1.866 51.245 53.050 0.102 0.000 0.941 637 N CB 1.619 40.150 38.487 0.073 0.000 1.120 637 N HN 0.042 nan 8.380 nan 0.000 0.505 638 P HA -0.073 nan 4.420 nan 0.000 0.216 638 P C 0.539 177.872 177.300 0.056 0.000 1.150 638 P CA 1.375 64.513 63.100 0.063 0.000 0.837 638 P CB 0.378 32.102 31.700 0.040 0.000 0.786 639 K N -0.573 119.858 120.400 0.051 0.000 2.574 639 K HA 0.045 4.365 4.320 0.001 0.000 0.193 639 K C 0.947 177.590 176.600 0.072 0.000 1.035 639 K CA 0.193 56.508 56.287 0.046 0.000 0.982 639 K CB -0.241 32.281 32.500 0.037 0.000 0.795 639 K HN 0.076 nan 8.250 nan 0.000 0.491 640 S N 0.836 116.594 115.700 0.097 0.000 2.565 640 S HA 0.077 4.548 4.470 0.001 0.000 0.274 640 S C 0.825 175.505 174.600 0.133 0.000 1.309 640 S CA -0.529 57.753 58.200 0.137 0.000 1.043 640 S CB 0.880 64.176 63.200 0.160 0.000 0.939 640 S HN 0.348 nan 8.310 nan 0.000 0.504 641 T N 1.986 116.641 114.554 0.168 0.000 3.200 641 T HA 0.344 4.695 4.350 0.001 0.000 0.284 641 T C 0.412 175.044 174.700 -0.115 0.000 1.009 641 T CA -0.160 61.976 62.100 0.061 0.000 0.907 641 T CB -0.283 68.614 68.868 0.047 0.000 1.120 641 T HN 0.624 nan 8.240 nan 0.000 0.534 642 Y N 0.590 120.885 120.300 -0.010 0.000 2.701 642 Y HA 0.542 5.093 4.550 0.001 0.000 0.275 642 Y C 0.513 176.362 175.900 -0.084 0.000 1.133 642 Y CA -0.686 57.385 58.100 -0.049 0.000 1.241 642 Y CB 0.781 39.210 38.460 -0.051 0.000 1.389 642 Y HN 0.190 nan 8.280 nan 0.000 0.486 643 I N 1.446 122.069 120.570 0.088 0.000 2.474 643 I HA 0.400 4.571 4.170 0.001 0.000 0.294 643 I C -0.523 175.663 176.117 0.114 0.000 1.005 643 I CA -1.084 60.188 61.300 -0.046 0.000 1.113 643 I CB 1.350 39.230 38.000 -0.200 0.000 1.289 643 I HN 0.023 nan 8.210 nan 0.000 0.436 644 K N 3.005 123.470 120.400 0.108 0.000 2.557 644 K HA 0.304 4.624 4.320 0.001 0.000 0.257 644 K C -1.029 175.406 176.600 -0.275 0.000 0.933 644 K CA -0.334 55.965 56.287 0.019 0.000 0.820 644 K CB 1.994 34.457 32.500 -0.063 0.000 1.330 644 K HN 0.562 nan 8.250 nan 0.000 0.432 645 S N 4.582 119.781 115.700 -0.836 0.000 2.498 645 S HA 0.232 4.702 4.470 0.001 0.000 0.281 645 S C -2.146 172.076 174.600 -0.629 0.000 1.265 645 S CA -0.992 56.412 58.200 -1.327 0.000 1.071 645 S CB 0.315 62.493 63.200 -1.702 0.000 0.894 645 S HN 0.386 nan 8.310 nan 0.000 0.491 646 P HA 0.313 nan 4.420 nan 0.000 0.282 646 P C -2.421 174.471 177.300 -0.679 0.000 1.249 646 P CA -1.806 60.886 63.100 -0.679 0.000 0.806 646 P CB 0.582 31.648 31.700 -1.057 0.000 0.984 647 P HA -0.019 nan 4.420 nan 0.000 0.231 647 P C 1.170 178.361 177.300 -0.182 0.000 1.158 647 P CA 0.831 63.764 63.100 -0.279 0.000 0.763 647 P CB -0.458 31.158 31.700 -0.140 0.000 0.805 648 F N -1.537 118.247 119.950 -0.277 0.000 2.141 648 F HA -0.226 4.301 4.527 0.001 0.000 0.300 648 F C 1.210 176.742 175.800 -0.447 0.000 1.079 648 F CA 0.566 58.279 58.000 -0.478 0.000 1.264 648 F CB -0.974 37.373 39.000 -1.089 0.000 1.011 648 F HN -0.055 nan 8.300 nan 0.000 0.487 649 F N 0.004 120.079 119.950 0.207 0.000 2.641 649 F HA 0.175 4.703 4.527 0.001 0.000 0.302 649 F C 0.516 176.371 175.800 0.091 0.000 1.098 649 F CA -0.957 57.121 58.000 0.130 0.000 1.318 649 F CB -1.165 37.895 39.000 0.100 0.000 1.035 649 F HN -0.139 nan 8.300 nan 0.000 0.551 650 E N 1.104 121.411 120.200 0.178 0.000 2.415 650 E HA -0.025 4.326 4.350 0.001 0.000 0.260 650 E C 0.038 176.712 176.600 0.124 0.000 1.016 650 E CA 0.167 56.640 56.400 0.122 0.000 0.924 650 E CB -0.208 29.533 29.700 0.068 0.000 0.961 650 E HN 0.327 nan 8.360 nan 0.000 0.459 651 N N 1.321 120.084 118.700 0.105 0.000 2.780 651 N HA -0.202 4.539 4.740 0.001 0.000 0.248 651 N C -0.769 174.799 175.510 0.097 0.000 1.102 651 N CA 0.107 53.208 53.050 0.086 0.000 0.697 651 N CB -0.986 37.541 38.487 0.068 0.000 1.028 651 N HN 0.430 nan 8.380 nan 0.000 0.554 652 L N 0.921 122.216 121.223 0.121 0.000 2.331 652 L HA 0.432 4.772 4.340 0.001 0.000 0.278 652 L C 0.656 177.567 176.870 0.069 0.000 1.106 652 L CA -0.170 54.738 54.840 0.113 0.000 0.824 652 L CB 0.722 42.872 42.059 0.152 0.000 1.142 652 L HN 0.226 nan 8.230 nan 0.000 0.443 653 T N 2.076 116.661 114.554 0.053 0.000 2.859 653 T HA 0.218 4.569 4.350 0.001 0.000 0.281 653 T C 0.774 175.487 174.700 0.022 0.000 1.005 653 T CA -0.870 61.250 62.100 0.033 0.000 1.025 653 T CB 1.589 70.474 68.868 0.029 0.000 0.977 653 T HN 0.631 nan 8.240 nan 0.000 0.458 654 L N 1.857 123.088 121.223 0.012 0.000 2.187 654 L HA 0.145 4.485 4.340 0.001 0.000 0.213 654 L C 0.048 176.920 176.870 0.003 0.000 1.100 654 L CA 1.568 56.409 54.840 0.002 0.000 0.765 654 L CB -1.026 41.031 42.059 -0.003 0.000 0.904 654 L HN 0.787 nan 8.230 nan 0.000 0.437 655 D N -0.732 119.671 120.400 0.006 0.000 2.225 655 D HA 0.357 4.997 4.640 0.001 0.000 0.249 655 D C -0.488 175.814 176.300 0.003 0.000 1.052 655 D CA -0.221 53.779 54.000 0.001 0.000 0.909 655 D CB 0.921 41.720 40.800 -0.001 0.000 1.186 655 D HN 0.025 nan 8.370 nan 0.000 0.431 656 L N 2.618 123.837 121.223 -0.006 0.000 2.281 656 L HA 0.211 4.551 4.340 0.001 0.000 0.285 656 L C 0.162 177.019 176.870 -0.022 0.000 1.074 656 L CA -0.661 54.171 54.840 -0.013 0.000 0.817 656 L CB 0.606 42.647 42.059 -0.030 0.000 1.168 656 L HN 0.222 nan 8.230 nan 0.000 0.434 657 Q N 3.692 123.484 119.800 -0.014 0.000 2.227 657 Q HA 0.436 4.777 4.340 0.001 0.000 0.245 657 Q C -2.101 173.889 176.000 -0.017 0.000 0.926 657 Q CA -2.045 53.753 55.803 -0.010 0.000 0.895 657 Q CB 0.706 29.446 28.738 0.004 0.000 1.230 657 Q HN 0.327 nan 8.270 nan 0.000 0.450 658 P HA 0.087 nan 4.420 nan 0.000 0.267 658 P C -2.293 175.020 177.300 0.022 0.000 1.200 658 P CA -0.678 62.429 63.100 0.011 0.000 0.772 658 P CB -0.199 31.516 31.700 0.025 0.000 0.855 659 P HA 0.061 nan 4.420 nan 0.000 0.267 659 P C -0.712 176.643 177.300 0.093 0.000 1.200 659 P CA 0.266 63.368 63.100 0.004 0.000 0.772 659 P CB 0.778 32.481 31.700 0.005 0.000 0.855 660 K N 1.349 121.807 120.400 0.097 0.000 2.159 660 K HA 0.347 4.667 4.320 0.001 0.000 0.266 660 K C 0.197 176.884 176.600 0.146 0.000 0.975 660 K CA -0.587 55.765 56.287 0.109 0.000 0.865 660 K CB 1.138 33.688 32.500 0.082 0.000 1.087 660 K HN 0.387 nan 8.250 nan 0.000 0.446 661 S N 2.334 118.108 115.700 0.123 0.000 2.564 661 S HA 0.153 4.623 4.470 0.001 0.000 0.278 661 S C 0.416 175.078 174.600 0.104 0.000 1.333 661 S CA -0.667 57.603 58.200 0.116 0.000 1.048 661 S CB 0.258 63.511 63.200 0.089 0.000 0.900 661 S HN 0.299 nan 8.310 nan 0.000 0.505 662 I N 2.425 123.056 120.570 0.101 0.000 2.634 662 I HA 0.188 4.358 4.170 0.001 0.000 0.284 662 I C -0.144 176.026 176.117 0.089 0.000 1.124 662 I CA 0.378 61.735 61.300 0.096 0.000 1.417 662 I CB 0.436 38.489 38.000 0.088 0.000 1.396 662 I HN 0.275 nan 8.210 nan 0.000 0.571 663 V N 4.629 124.603 119.914 0.100 0.000 2.525 663 V HA 0.258 4.378 4.120 0.001 0.000 0.299 663 V C -0.684 175.488 176.094 0.130 0.000 1.034 663 V CA -0.932 61.426 62.300 0.098 0.000 0.863 663 V CB 1.464 33.338 31.823 0.085 0.000 0.999 663 V HN 0.851 nan 8.190 nan 0.000 0.423 664 D N 2.654 123.128 120.400 0.124 0.000 2.704 664 D HA -0.162 4.478 4.640 0.001 0.000 0.232 664 D C 0.518 176.974 176.300 0.259 0.000 1.183 664 D CA 1.185 55.281 54.000 0.160 0.000 0.647 664 D CB -0.285 40.613 40.800 0.163 0.000 1.013 664 D HN 0.966 nan 8.370 nan 0.000 0.415 665 A N 0.156 123.123 122.820 0.245 0.000 2.287 665 A HA 0.612 4.932 4.320 0.001 0.000 0.273 665 A C -0.238 177.584 177.584 0.396 0.000 1.091 665 A CA -0.297 51.909 52.037 0.282 0.000 0.817 665 A CB 0.687 19.788 19.000 0.168 0.000 1.069 665 A HN 0.344 nan 8.150 nan 0.000 0.492 666 Y N -0.319 119.982 120.300 0.002 0.000 2.409 666 Y HA 0.402 4.953 4.550 0.001 0.000 0.339 666 Y C 0.117 175.955 175.900 -0.104 0.000 1.033 666 Y CA -1.042 57.046 58.100 -0.021 0.000 1.094 666 Y CB 2.081 40.502 38.460 -0.065 0.000 1.210 666 Y HN 0.366 nan 8.280 nan 0.000 0.456 667 V N 5.371 125.334 119.914 0.082 0.000 2.439 667 V HA -0.094 4.027 4.120 0.001 0.000 0.271 667 V C 0.763 176.906 176.094 0.081 0.000 1.040 667 V CA 0.144 62.453 62.300 0.016 0.000 1.002 667 V CB 0.860 32.709 31.823 0.044 0.000 1.000 667 V HN 0.719 nan 8.190 nan 0.000 0.477 668 L N 6.514 127.704 121.223 -0.056 0.000 2.179 668 L HA 0.288 4.629 4.340 0.001 0.000 0.208 668 L C 0.349 177.242 176.870 0.038 0.000 1.096 668 L CA 1.793 56.600 54.840 -0.055 0.000 0.779 668 L CB 0.124 42.108 42.059 -0.124 0.000 0.922 668 L HN 0.521 nan 8.230 nan 0.000 0.443 669 L N -0.127 121.050 121.223 -0.078 0.000 2.482 669 L HA 0.374 4.715 4.340 0.001 0.000 0.263 669 L C -0.931 175.706 176.870 -0.389 0.000 0.957 669 L CA -0.483 54.223 54.840 -0.222 0.000 0.836 669 L CB 1.716 43.521 42.059 -0.423 0.000 1.324 669 L HN -0.153 nan 8.230 nan 0.000 0.406 670 N N 3.888 122.191 118.700 -0.661 0.000 2.706 670 N HA 0.480 5.220 4.740 0.001 0.000 0.240 670 N C -1.381 173.850 175.510 -0.464 0.000 1.039 670 N CA -0.245 52.383 53.050 -0.704 0.000 0.888 670 N CB 0.664 38.390 38.487 -1.268 0.000 1.128 670 N HN 0.497 nan 8.380 nan 0.000 0.512 671 L N 0.868 121.893 121.223 -0.330 0.000 2.375 671 L HA 0.626 4.966 4.340 0.001 0.000 0.268 671 L C 1.626 178.394 176.870 -0.171 0.000 1.058 671 L CA -0.938 53.764 54.840 -0.230 0.000 0.803 671 L CB 1.292 43.248 42.059 -0.172 0.000 1.212 671 L HN 0.303 nan 8.230 nan 0.000 0.451 672 G N -0.091 108.634 108.800 -0.124 0.000 2.624 672 G HA2 0.160 4.121 3.960 0.001 0.000 0.217 672 G HA3 0.160 4.121 3.960 0.001 0.000 0.217 672 G C -0.551 174.319 174.900 -0.050 0.000 1.506 672 G CA -0.447 44.600 45.100 -0.089 0.000 1.072 672 G HN 0.566 nan 8.290 nan 0.000 0.568 673 D N -0.677 119.705 120.400 -0.029 0.000 2.340 673 D HA 0.374 5.014 4.640 0.001 0.000 0.251 673 D C 0.395 176.715 176.300 0.034 0.000 1.080 673 D CA -0.024 53.975 54.000 -0.002 0.000 0.971 673 D CB 1.245 42.038 40.800 -0.012 0.000 1.137 673 D HN 0.257 nan 8.370 nan 0.000 0.475 674 S N -0.557 115.173 115.700 0.049 0.000 3.550 674 S HA -0.134 4.336 4.470 0.001 0.000 0.372 674 S C -0.001 174.667 174.600 0.114 0.000 0.966 674 S CA -0.120 58.119 58.200 0.065 0.000 1.229 674 S CB -1.019 62.210 63.200 0.049 0.000 0.917 674 S HN 0.314 nan 8.310 nan 0.000 0.496 675 V N 2.876 122.880 119.914 0.150 0.000 2.405 675 V HA 0.300 4.420 4.120 0.001 0.000 0.264 675 V C 1.297 177.472 176.094 0.136 0.000 1.048 675 V CA 0.128 62.565 62.300 0.228 0.000 0.966 675 V CB 0.794 32.792 31.823 0.291 0.000 1.015 675 V HN 0.730 nan 8.190 nan 0.000 0.477 676 T N 1.291 115.968 114.554 0.204 0.000 2.828 676 T HA 0.118 4.469 4.350 0.001 0.000 0.290 676 T C 1.561 176.204 174.700 -0.095 0.000 1.019 676 T CA 0.165 62.246 62.100 -0.032 0.000 1.031 676 T CB 1.180 69.968 68.868 -0.134 0.000 1.001 676 T HN 0.803 nan 8.240 nan 0.000 0.531 677 T N -1.621 112.841 114.554 -0.153 0.000 2.833 677 T HA -0.155 4.195 4.350 0.001 0.000 0.269 677 T C 1.481 176.121 174.700 -0.101 0.000 1.054 677 T CA 1.556 63.569 62.100 -0.145 0.000 1.135 677 T CB -0.693 68.126 68.868 -0.082 0.000 0.869 677 T HN 0.704 nan 8.240 nan 0.000 0.466 678 D N 0.598 120.927 120.400 -0.119 0.000 2.269 678 D HA -0.035 4.606 4.640 0.001 0.000 0.208 678 D C 1.888 178.136 176.300 -0.087 0.000 0.963 678 D CA 0.759 54.688 54.000 -0.119 0.000 0.864 678 D CB -0.252 40.457 40.800 -0.151 0.000 0.936 678 D HN 0.693 nan 8.370 nan 0.000 0.505 679 H N -0.824 118.234 119.070 -0.021 0.000 2.307 679 H HA 0.072 4.629 4.556 0.001 0.000 0.303 679 H C 2.147 177.487 175.328 0.020 0.000 1.073 679 H CA 1.019 57.092 56.048 0.041 0.000 1.338 679 H CB 0.210 30.030 29.762 0.097 0.000 1.389 679 H HN 0.096 nan 8.280 nan 0.000 0.503 680 I N -0.469 120.140 120.570 0.064 0.000 2.194 680 I HA -0.223 3.948 4.170 0.001 0.000 0.246 680 I C 1.003 176.882 176.117 -0.395 0.000 1.093 680 I CA 1.124 62.212 61.300 -0.353 0.000 1.355 680 I CB 0.042 37.856 38.000 -0.310 0.000 1.046 680 I HN 0.062 nan 8.210 nan 0.000 0.413 681 S N 1.154 116.738 115.700 -0.193 0.000 2.204 681 S HA 0.293 4.764 4.470 0.001 0.000 0.147 681 S C -2.388 172.113 174.600 -0.164 0.000 1.711 681 S CA -1.570 56.526 58.200 -0.173 0.000 1.274 681 S CB 0.224 63.391 63.200 -0.055 0.000 1.257 681 S HN -0.068 nan 8.310 nan 0.000 0.404 682 P HA 0.142 nan 4.420 nan 0.000 0.268 682 P C -0.137 177.065 177.300 -0.163 0.000 1.189 682 P CA 0.169 63.163 63.100 -0.175 0.000 0.771 682 P CB 0.580 32.168 31.700 -0.186 0.000 0.822 683 A N 1.461 124.265 122.820 -0.027 0.000 2.637 683 A HA 0.861 5.181 4.320 0.001 0.000 0.258 683 A C 0.571 178.244 177.584 0.149 0.000 1.250 683 A CA -0.072 52.007 52.037 0.069 0.000 0.931 683 A CB 0.420 19.453 19.000 0.055 0.000 1.488 683 A HN 0.883 nan 8.150 nan 0.000 0.464 684 G N -0.619 108.271 108.800 0.150 0.000 2.632 684 G HA2 -0.130 3.830 3.960 0.001 0.000 0.224 684 G HA3 -0.130 3.830 3.960 0.001 0.000 0.224 684 G C -0.307 174.688 174.900 0.157 0.000 1.341 684 G CA 0.088 45.270 45.100 0.138 0.000 0.880 684 G HN 1.091 nan 8.290 nan 0.000 0.566 685 N N -0.780 117.983 118.700 0.106 0.000 2.408 685 N HA 0.586 5.326 4.740 0.001 0.000 0.260 685 N C 0.348 175.865 175.510 0.010 0.000 1.242 685 N CA -0.203 52.868 53.050 0.035 0.000 0.959 685 N CB 0.649 39.163 38.487 0.046 0.000 1.201 685 N HN 0.587 nan 8.380 nan 0.000 0.511 686 I N 1.053 121.527 120.570 -0.159 0.000 2.331 686 I HA 0.321 4.491 4.170 0.001 0.000 0.292 686 I C 0.276 176.384 176.117 -0.015 0.000 0.998 686 I CA -0.833 60.317 61.300 -0.250 0.000 1.267 686 I CB 1.086 38.722 38.000 -0.606 0.000 1.386 686 I HN 0.489 nan 8.210 nan 0.000 0.476 687 A N 6.292 129.150 122.820 0.064 0.000 2.477 687 A HA 0.140 4.461 4.320 0.001 0.000 0.246 687 A C 1.432 179.054 177.584 0.062 0.000 1.078 687 A CA -0.122 51.963 52.037 0.080 0.000 0.770 687 A CB 0.161 19.219 19.000 0.097 0.000 1.011 687 A HN 0.929 nan 8.150 nan 0.000 0.494 688 R N 1.298 121.858 120.500 0.101 0.000 2.148 688 R HA -0.144 4.196 4.340 0.001 0.000 0.227 688 R C 0.958 177.308 176.300 0.083 0.000 1.103 688 R CA 1.734 57.912 56.100 0.131 0.000 0.983 688 R CB -0.167 30.215 30.300 0.136 0.000 0.874 688 R HN 0.952 nan 8.270 nan 0.000 0.451 689 N N -0.252 118.489 118.700 0.068 0.000 2.362 689 N HA -0.054 4.687 4.740 0.001 0.000 0.204 689 N C -0.619 174.924 175.510 0.055 0.000 1.166 689 N CA 0.021 53.107 53.050 0.060 0.000 0.831 689 N CB 0.454 38.978 38.487 0.061 0.000 1.008 689 N HN 0.064 nan 8.380 nan 0.000 0.472 690 S N -1.777 113.946 115.700 0.038 0.000 2.638 690 S HA 0.521 4.992 4.470 0.001 0.000 0.298 690 S C -1.919 172.683 174.600 0.002 0.000 1.111 690 S CA -1.429 56.793 58.200 0.037 0.000 1.027 690 S CB 2.102 65.338 63.200 0.059 0.000 1.064 690 S HN -0.199 nan 8.310 nan 0.000 0.525 691 P HA -0.050 nan 4.420 nan 0.000 0.218 691 P C 1.459 178.697 177.300 -0.103 0.000 1.148 691 P CA 1.823 64.926 63.100 0.004 0.000 0.822 691 P CB -0.145 31.587 31.700 0.052 0.000 0.784 692 A N -0.123 122.607 122.820 -0.150 0.000 1.898 692 A HA -0.062 4.259 4.320 0.001 0.000 0.216 692 A C 2.305 179.681 177.584 -0.347 0.000 1.181 692 A CA 1.914 53.802 52.037 -0.248 0.000 0.620 692 A CB -1.548 17.340 19.000 -0.187 0.000 0.819 692 A HN 0.186 nan 8.150 nan 0.000 0.442 693 A N 0.010 122.587 122.820 -0.404 0.000 1.877 693 A HA -0.170 4.150 4.320 0.001 0.000 0.216 693 A C 2.252 179.639 177.584 -0.329 0.000 1.186 693 A CA 1.536 53.160 52.037 -0.688 0.000 0.620 693 A CB -0.513 18.279 19.000 -0.346 0.000 0.822 693 A HN 0.549 nan 8.150 nan 0.000 0.443 694 R N -1.953 118.481 120.500 -0.110 0.000 2.103 694 R HA -0.215 4.126 4.340 0.001 0.000 0.234 694 R C 2.199 178.487 176.300 -0.020 0.000 1.132 694 R CA 1.905 57.996 56.100 -0.015 0.000 0.925 694 R CB -0.902 29.409 30.300 0.019 0.000 0.842 694 R HN 0.680 nan 8.270 nan 0.000 0.430 695 Y N 1.803 122.015 120.300 -0.147 0.000 2.132 695 Y HA -0.287 4.264 4.550 0.001 0.000 0.280 695 Y C 1.991 177.813 175.900 -0.131 0.000 1.193 695 Y CA 1.770 59.783 58.100 -0.146 0.000 1.157 695 Y CB -0.227 38.100 38.460 -0.220 0.000 0.966 695 Y HN 0.018 nan 8.280 nan 0.000 0.511 696 L N -1.407 119.810 121.223 -0.009 0.000 2.179 696 L HA -0.150 4.191 4.340 0.001 0.000 0.208 696 L C 2.348 179.285 176.870 0.112 0.000 1.096 696 L CA 1.369 56.214 54.840 0.009 0.000 0.779 696 L CB -0.771 41.214 42.059 -0.123 0.000 0.922 696 L HN 0.171 nan 8.230 nan 0.000 0.443 697 T N -0.433 114.206 114.554 0.142 0.000 2.708 697 T HA -0.169 4.182 4.350 0.001 0.000 0.266 697 T C 1.546 176.263 174.700 0.028 0.000 1.037 697 T CA 1.466 63.667 62.100 0.168 0.000 1.146 697 T CB -0.401 68.564 68.868 0.162 0.000 0.865 697 T HN 0.387 nan 8.240 nan 0.000 0.435 698 N N 0.472 119.144 118.700 -0.046 0.000 2.588 698 N HA -0.051 4.689 4.740 0.001 0.000 0.190 698 N C 1.580 177.007 175.510 -0.137 0.000 1.094 698 N CA 0.411 53.401 53.050 -0.100 0.000 0.921 698 N CB 0.059 38.457 38.487 -0.148 0.000 0.959 698 N HN 0.233 nan 8.380 nan 0.000 0.448 699 R N -0.209 120.210 120.500 -0.136 0.000 2.432 699 R HA 0.095 4.435 4.340 0.001 0.000 0.260 699 R C 0.440 176.717 176.300 -0.038 0.000 0.935 699 R CA 0.078 56.105 56.100 -0.123 0.000 1.080 699 R CB 0.784 30.980 30.300 -0.174 0.000 1.155 699 R HN 0.143 nan 8.270 nan 0.000 0.531 700 G N 1.615 110.408 108.800 -0.012 0.000 2.204 700 G HA2 -0.228 3.732 3.960 0.001 0.000 0.244 700 G HA3 -0.228 3.732 3.960 0.001 0.000 0.244 700 G C -0.291 174.623 174.900 0.023 0.000 1.062 700 G CA -0.240 44.862 45.100 0.004 0.000 0.798 700 G HN 0.146 nan 8.290 nan 0.000 0.496 701 L N 0.688 121.947 121.223 0.061 0.000 2.346 701 L HA 0.764 5.105 4.340 0.001 0.000 0.274 701 L C 0.990 177.836 176.870 -0.040 0.000 1.007 701 L CA -0.537 54.341 54.840 0.063 0.000 0.818 701 L CB 2.182 44.368 42.059 0.212 0.000 1.284 701 L HN 0.384 nan 8.230 nan 0.000 0.424 702 T N -1.559 112.866 114.554 -0.216 0.000 2.934 702 T HA 0.392 4.743 4.350 0.001 0.000 0.283 702 T C -2.119 172.039 174.700 -0.904 0.000 1.005 702 T CA -1.912 59.968 62.100 -0.366 0.000 1.041 702 T CB 1.941 70.675 68.868 -0.223 0.000 1.042 702 T HN 0.255 nan 8.240 nan 0.000 0.505 703 P HA -0.124 nan 4.420 nan 0.000 0.214 703 P C 1.631 178.507 177.300 -0.706 0.000 1.163 703 P CA 1.037 63.398 63.100 -1.233 0.000 0.889 703 P CB -0.010 31.438 31.700 -0.421 0.000 0.790 704 R N 0.615 120.895 120.500 -0.366 0.000 2.276 704 R HA -0.196 4.145 4.340 0.001 0.000 0.243 704 R C 1.289 177.499 176.300 -0.151 0.000 1.161 704 R CA 1.711 57.699 56.100 -0.188 0.000 1.007 704 R CB -0.268 29.957 30.300 -0.125 0.000 0.867 704 R HN 0.399 nan 8.270 nan 0.000 0.472 705 E N -1.549 118.516 120.200 -0.226 0.000 2.603 705 E HA 0.016 4.366 4.350 0.001 0.000 0.211 705 E C 0.581 177.200 176.600 0.030 0.000 0.995 705 E CA -0.380 55.974 56.400 -0.077 0.000 0.990 705 E CB 0.070 29.741 29.700 -0.048 0.000 1.036 705 E HN 0.109 nan 8.360 nan 0.000 0.475 706 F N 2.067 121.993 119.950 -0.039 0.000 2.146 706 F HA 0.022 4.549 4.527 0.001 0.000 0.298 706 F C 1.379 177.107 175.800 -0.120 0.000 1.096 706 F CA 0.757 58.704 58.000 -0.089 0.000 1.275 706 F CB -0.753 38.177 39.000 -0.117 0.000 1.008 706 F HN 0.124 nan 8.300 nan 0.000 0.480 707 N N -0.523 118.248 118.700 0.118 0.000 6.874 707 N HA -0.212 4.528 4.740 0.001 0.000 0.421 707 N C -0.074 175.406 175.510 -0.050 0.000 0.945 707 N CA 0.782 53.855 53.050 0.039 0.000 1.414 707 N CB -0.749 37.768 38.487 0.049 0.000 0.811 707 N HN 0.245 nan 8.380 nan 0.000 0.316 708 S N -0.704 114.964 115.700 -0.052 0.000 2.669 708 S HA 0.473 4.944 4.470 0.001 0.000 0.270 708 S C 1.290 175.792 174.600 -0.164 0.000 1.225 708 S CA -0.182 57.963 58.200 -0.091 0.000 0.991 708 S CB 0.623 63.838 63.200 0.025 0.000 0.987 708 S HN 0.486 nan 8.310 nan 0.000 0.552 709 Y N 1.051 121.314 120.300 -0.063 0.000 2.200 709 Y HA 0.104 4.655 4.550 0.001 0.000 0.290 709 Y C 2.774 178.621 175.900 -0.088 0.000 1.137 709 Y CA 1.545 59.573 58.100 -0.120 0.000 1.163 709 Y CB -1.137 37.254 38.460 -0.115 0.000 0.988 709 Y HN 0.881 nan 8.280 nan 0.000 0.518 710 G N -0.493 108.393 108.800 0.143 0.000 2.469 710 G HA2 -0.342 3.619 3.960 0.001 0.000 0.219 710 G HA3 -0.342 3.619 3.960 0.001 0.000 0.219 710 G C 1.879 176.840 174.900 0.102 0.000 1.150 710 G CA 1.574 46.749 45.100 0.126 0.000 0.763 710 G HN 0.489 nan 8.290 nan 0.000 0.561 711 S N 0.215 115.952 115.700 0.062 0.000 2.423 711 S HA 0.014 4.484 4.470 0.001 0.000 0.231 711 S C 1.928 176.505 174.600 -0.039 0.000 1.014 711 S CA 0.608 58.843 58.200 0.058 0.000 0.965 711 S CB -0.069 63.173 63.200 0.070 0.000 0.785 711 S HN 0.254 nan 8.310 nan 0.000 0.495 712 R N 0.985 121.405 120.500 -0.133 0.000 2.391 712 R HA 0.315 4.656 4.340 0.001 0.000 0.249 712 R C 1.361 177.565 176.300 -0.160 0.000 0.957 712 R CA -0.097 55.858 56.100 -0.242 0.000 1.093 712 R CB -0.530 29.580 30.300 -0.317 0.000 1.156 712 R HN 0.501 nan 8.270 nan 0.000 0.526 713 R N -0.115 120.377 120.500 -0.013 0.000 2.285 713 R HA -0.030 4.311 4.340 0.001 0.000 0.213 713 R C 1.511 177.950 176.300 0.231 0.000 1.068 713 R CA 1.101 57.274 56.100 0.122 0.000 1.004 713 R CB 0.040 30.507 30.300 0.278 0.000 0.873 713 R HN 0.174 nan 8.270 nan 0.000 0.467 714 G N -0.079 108.777 108.800 0.094 0.000 3.189 714 G HA2 -0.091 3.869 3.960 0.001 0.000 0.225 714 G HA3 -0.091 3.869 3.960 0.001 0.000 0.225 714 G C -0.053 174.850 174.900 0.004 0.000 1.159 714 G CA -0.243 44.903 45.100 0.077 0.000 0.763 714 G HN 0.087 nan 8.290 nan 0.000 0.549 715 N N 0.978 119.628 118.700 -0.084 0.000 2.664 715 N HA 0.116 4.857 4.740 0.001 0.000 0.257 715 N C 0.826 176.135 175.510 -0.334 0.000 1.108 715 N CA -0.385 52.559 53.050 -0.177 0.000 0.822 715 N CB 1.296 39.653 38.487 -0.216 0.000 1.199 715 N HN 0.150 nan 8.380 nan 0.000 0.529 716 D N 2.170 122.415 120.400 -0.258 0.000 2.228 716 D HA -0.215 4.425 4.640 0.001 0.000 0.203 716 D C 1.506 177.524 176.300 -0.471 0.000 0.988 716 D CA 1.501 55.253 54.000 -0.413 0.000 0.864 716 D CB 0.106 40.875 40.800 -0.052 0.000 0.928 716 D HN 0.406 nan 8.370 nan 0.000 0.469 717 A N 0.674 123.238 122.820 -0.427 0.000 1.883 717 A HA -0.120 4.201 4.320 0.001 0.000 0.217 717 A C 2.417 179.503 177.584 -0.830 0.000 1.186 717 A CA 1.656 53.350 52.037 -0.572 0.000 0.624 717 A CB -0.806 17.845 19.000 -0.582 0.000 0.822 717 A HN 0.395 nan 8.150 nan 0.000 0.444 718 I N -0.987 119.119 120.570 -0.774 0.000 2.406 718 I HA -0.192 3.978 4.170 0.001 0.000 0.249 718 I C 2.402 178.207 176.117 -0.520 0.000 1.122 718 I CA 0.813 61.710 61.300 -0.671 0.000 1.431 718 I CB -0.349 37.344 38.000 -0.512 0.000 1.087 718 I HN 0.226 nan 8.210 nan 0.000 0.424 719 M N 0.744 119.948 119.600 -0.661 0.000 2.175 719 M HA -0.070 4.411 4.480 0.001 0.000 0.264 719 M C 2.593 178.548 176.300 -0.575 0.000 1.063 719 M CA 1.631 56.459 55.300 -0.786 0.000 1.119 719 M CB -1.467 30.089 32.600 -1.740 0.000 1.377 719 M HN 0.267 nan 8.290 nan 0.000 0.415 720 A N 0.417 122.936 122.820 -0.501 0.000 1.898 720 A HA -0.133 4.188 4.320 0.001 0.000 0.216 720 A C 2.306 179.785 177.584 -0.176 0.000 1.181 720 A CA 1.323 53.253 52.037 -0.179 0.000 0.620 720 A CB -0.587 18.388 19.000 -0.041 0.000 0.819 720 A HN 0.474 nan 8.150 nan 0.000 0.442 721 R N -0.706 119.435 120.500 -0.598 0.000 2.285 721 R HA -0.042 4.298 4.340 0.001 0.000 0.213 721 R C 1.884 178.024 176.300 -0.267 0.000 1.068 721 R CA 0.660 56.280 56.100 -0.799 0.000 1.004 721 R CB -0.239 29.411 30.300 -1.083 0.000 0.873 721 R HN 0.528 nan 8.270 nan 0.000 0.467 722 G N 0.056 108.706 108.800 -0.250 0.000 2.719 722 G HA2 -0.060 3.900 3.960 0.001 0.000 0.211 722 G HA3 -0.060 3.900 3.960 0.001 0.000 0.211 722 G C 0.360 175.105 174.900 -0.259 0.000 1.140 722 G CA -0.201 44.716 45.100 -0.304 0.000 0.790 722 G HN 0.124 nan 8.290 nan 0.000 0.529 723 T N 1.860 116.327 114.554 -0.146 0.000 2.866 723 T HA 0.141 4.491 4.350 0.001 0.000 0.293 723 T C 0.210 174.929 174.700 0.030 0.000 1.005 723 T CA 0.171 62.189 62.100 -0.136 0.000 1.162 723 T CB 0.030 68.872 68.868 -0.044 0.000 0.968 723 T HN 0.308 nan 8.240 nan 0.000 0.530 724 F N -0.219 119.745 119.950 0.023 0.000 3.074 724 F HA -0.253 4.274 4.527 0.001 0.000 0.289 724 F C 1.372 177.188 175.800 0.027 0.000 0.863 724 F CA 0.325 58.352 58.000 0.045 0.000 1.121 724 F CB -2.108 36.938 39.000 0.076 0.000 1.169 724 F HN 0.730 nan 8.300 nan 0.000 0.570 725 A N -0.809 122.073 122.820 0.102 0.000 2.379 725 A HA 0.183 4.503 4.320 0.001 0.000 0.236 725 A C 1.024 178.648 177.584 0.066 0.000 1.272 725 A CA -0.007 52.071 52.037 0.067 0.000 0.886 725 A CB -0.115 18.875 19.000 -0.017 0.000 0.962 725 A HN 0.292 nan 8.150 nan 0.000 0.504 726 N N 1.625 120.386 118.700 0.101 0.000 2.452 726 N HA 0.046 4.787 4.740 0.001 0.000 0.266 726 N C 1.217 176.805 175.510 0.131 0.000 1.175 726 N CA -0.027 53.100 53.050 0.129 0.000 0.945 726 N CB 0.532 39.164 38.487 0.242 0.000 1.063 726 N HN 0.524 nan 8.380 nan 0.000 0.472 727 I N 1.065 121.702 120.570 0.112 0.000 2.800 727 I HA -0.112 4.058 4.170 0.001 0.000 0.266 727 I C 1.458 177.631 176.117 0.094 0.000 1.249 727 I CA 1.019 62.376 61.300 0.095 0.000 1.458 727 I CB -0.008 38.043 38.000 0.085 0.000 1.093 727 I HN 0.268 nan 8.210 nan 0.000 0.466 728 R N 0.584 121.165 120.500 0.134 0.000 2.334 728 R HA 0.323 4.664 4.340 0.001 0.000 0.212 728 R C 0.482 176.801 176.300 0.031 0.000 0.897 728 R CA -0.471 55.712 56.100 0.139 0.000 1.056 728 R CB -0.060 30.392 30.300 0.253 0.000 1.046 728 R HN 0.331 nan 8.270 nan 0.000 0.513 729 L N 1.092 122.312 121.223 -0.006 0.000 2.543 729 L HA 0.043 4.384 4.340 0.001 0.000 0.285 729 L C -0.471 176.311 176.870 -0.147 0.000 1.236 729 L CA 0.618 55.350 54.840 -0.180 0.000 0.871 729 L CB 0.469 42.517 42.059 -0.018 0.000 1.121 729 L HN 0.081 nan 8.230 nan 0.000 0.501 730 L N 5.483 126.583 121.223 -0.204 0.000 2.581 730 L HA 0.410 4.751 4.340 0.001 0.000 0.241 730 L C -0.400 176.397 176.870 -0.122 0.000 1.265 730 L CA -0.166 54.599 54.840 -0.124 0.000 0.954 730 L CB -0.223 41.768 42.059 -0.112 0.000 1.269 730 L HN 0.782 nan 8.230 nan 0.000 0.475 731 N N 1.311 119.950 118.700 -0.101 0.000 2.434 731 N HA 0.022 4.763 4.740 0.001 0.000 0.268 731 N C 1.140 176.587 175.510 -0.104 0.000 1.256 731 N CA 0.457 53.435 53.050 -0.120 0.000 0.914 731 N CB 0.709 39.167 38.487 -0.048 0.000 1.088 731 N HN 0.456 nan 8.380 nan 0.000 0.478 732 R N 2.574 122.955 120.500 -0.198 0.000 2.159 732 R HA -0.119 4.222 4.340 0.001 0.000 0.237 732 R C 0.950 177.216 176.300 -0.056 0.000 1.131 732 R CA 1.162 57.164 56.100 -0.162 0.000 0.982 732 R CB -0.225 29.932 30.300 -0.238 0.000 0.868 732 R HN 0.538 nan 8.270 nan 0.000 0.453 733 F N 0.250 120.179 119.950 -0.036 0.000 2.408 733 F HA -0.094 4.433 4.527 0.001 0.000 0.300 733 F C 1.734 177.527 175.800 -0.012 0.000 1.090 733 F CA 1.010 58.999 58.000 -0.019 0.000 1.427 733 F CB -0.012 38.982 39.000 -0.010 0.000 1.070 733 F HN 0.001 nan 8.300 nan 0.000 0.549 734 L N -1.861 119.455 121.223 0.154 0.000 2.840 734 L HA 0.194 4.535 4.340 0.001 0.000 0.249 734 L C 0.149 177.047 176.870 0.045 0.000 1.119 734 L CA 0.038 54.932 54.840 0.090 0.000 0.930 734 L CB -0.334 41.773 42.059 0.079 0.000 1.295 734 L HN -0.009 nan 8.230 nan 0.000 0.534 735 N N 2.403 121.116 118.700 0.023 0.000 2.714 735 N HA -0.203 4.538 4.740 0.001 0.000 0.253 735 N C -0.683 174.831 175.510 0.006 0.000 1.024 735 N CA 0.744 53.797 53.050 0.005 0.000 0.726 735 N CB -0.855 37.638 38.487 0.010 0.000 0.908 735 N HN 0.563 nan 8.380 nan 0.000 0.542 736 K N -2.152 118.249 120.400 0.003 0.000 2.736 736 K HA 0.169 4.490 4.320 0.001 0.000 0.290 736 K C -1.520 175.084 176.600 0.007 0.000 1.033 736 K CA -1.108 55.184 56.287 0.008 0.000 0.852 736 K CB 0.616 33.127 32.500 0.018 0.000 1.494 736 K HN -0.237 nan 8.250 nan 0.000 0.378 737 Q N 0.542 120.350 119.800 0.014 0.000 2.244 737 Q HA 0.400 4.741 4.340 0.001 0.000 0.276 737 Q C -0.642 175.376 176.000 0.030 0.000 1.122 737 Q CA 0.478 56.294 55.803 0.021 0.000 0.920 737 Q CB 0.650 29.409 28.738 0.034 0.000 1.186 737 Q HN 0.667 nan 8.270 nan 0.000 0.393 738 A N 4.838 127.675 122.820 0.029 0.000 2.518 738 A HA 0.406 4.726 4.320 0.001 0.000 0.295 738 A C -2.529 175.085 177.584 0.049 0.000 1.052 738 A CA -1.083 50.980 52.037 0.043 0.000 0.824 738 A CB 1.417 20.442 19.000 0.042 0.000 1.325 738 A HN 0.401 nan 8.150 nan 0.000 0.394 739 P HA 0.138 nan 4.420 nan 0.000 0.228 739 P C -0.422 176.933 177.300 0.092 0.000 1.748 739 P CA 0.659 63.814 63.100 0.090 0.000 0.909 739 P CB -0.268 31.492 31.700 0.100 0.000 1.882 740 Q N -1.023 118.821 119.800 0.073 0.000 2.683 740 Q HA 0.701 5.042 4.340 0.001 0.000 0.302 740 Q C -0.624 175.426 176.000 0.084 0.000 1.042 740 Q CA -0.752 55.101 55.803 0.082 0.000 0.773 740 Q CB 2.221 31.006 28.738 0.078 0.000 1.508 740 Q HN -0.045 nan 8.270 nan 0.000 0.459 741 T N -0.530 114.091 114.554 0.113 0.000 2.739 741 T HA 0.561 4.912 4.350 0.001 0.000 0.303 741 T C -1.753 173.034 174.700 0.146 0.000 1.389 741 T CA -0.518 61.680 62.100 0.164 0.000 1.001 741 T CB 1.112 70.089 68.868 0.182 0.000 1.436 741 T HN 0.441 nan 8.240 nan 0.000 0.500 742 I N 2.636 123.279 120.570 0.123 0.000 2.336 742 I HA 0.290 4.461 4.170 0.001 0.000 0.292 742 I C 0.481 176.668 176.117 0.117 0.000 0.991 742 I CA -0.695 60.625 61.300 0.034 0.000 1.227 742 I CB 1.134 39.047 38.000 -0.146 0.000 1.366 742 I HN 0.646 nan 8.210 nan 0.000 0.466 743 H N 7.627 126.702 119.070 0.010 0.000 3.118 743 H HA 0.164 4.721 4.556 0.001 0.000 0.266 743 H C 0.958 176.250 175.328 -0.061 0.000 1.465 743 H CA -0.443 55.572 56.048 -0.056 0.000 1.460 743 H CB 0.578 30.224 29.762 -0.194 0.000 1.661 743 H HN 0.702 nan 8.280 nan 0.000 0.516 744 L N 4.698 125.912 121.223 -0.014 0.000 2.082 744 L HA -0.260 4.080 4.340 0.001 0.000 0.223 744 L C -0.510 176.220 176.870 -0.234 0.000 1.086 744 L CA 1.677 56.471 54.840 -0.077 0.000 0.793 744 L CB -1.833 40.330 42.059 0.174 0.000 0.896 744 L HN 0.550 nan 8.230 nan 0.000 0.441 745 P HA -0.155 nan 4.420 nan 0.000 0.215 745 P C 1.880 178.952 177.300 -0.381 0.000 1.153 745 P CA 1.918 64.763 63.100 -0.425 0.000 0.853 745 P CB 0.017 31.398 31.700 -0.532 0.000 0.788 746 S N -2.279 113.091 115.700 -0.551 0.000 2.456 746 S HA 0.227 4.697 4.470 0.001 0.000 0.224 746 S C 1.828 176.346 174.600 -0.136 0.000 1.035 746 S CA 0.854 58.924 58.200 -0.216 0.000 0.940 746 S CB -0.957 62.219 63.200 -0.039 0.000 0.799 746 S HN 0.268 nan 8.310 nan 0.000 0.508 747 G N 0.931 109.634 108.800 -0.162 0.000 2.179 747 G HA2 -0.250 3.711 3.960 0.001 0.000 0.260 747 G HA3 -0.250 3.711 3.960 0.001 0.000 0.260 747 G C -0.116 174.758 174.900 -0.043 0.000 0.977 747 G CA 0.359 45.402 45.100 -0.096 0.000 0.641 747 G HN 0.633 nan 8.290 nan 0.000 0.533 748 E N 0.729 120.922 120.200 -0.012 0.000 2.392 748 E HA 0.468 4.818 4.350 0.001 0.000 0.256 748 E C 0.599 177.223 176.600 0.039 0.000 1.145 748 E CA 0.565 56.978 56.400 0.022 0.000 0.929 748 E CB 0.503 30.228 29.700 0.043 0.000 0.998 748 E HN 0.421 nan 8.360 nan 0.000 0.442 749 T N -0.089 114.490 114.554 0.041 0.000 2.809 749 T HA 0.590 4.941 4.350 0.001 0.000 0.296 749 T C -0.390 174.345 174.700 0.058 0.000 1.015 749 T CA -0.890 61.242 62.100 0.054 0.000 0.954 749 T CB -0.152 68.744 68.868 0.047 0.000 0.950 749 T HN 0.366 nan 8.240 nan 0.000 0.450 750 L N 0.409 121.674 121.223 0.071 0.000 2.327 750 L HA 0.740 5.080 4.340 0.001 0.000 0.258 750 L C -0.634 176.287 176.870 0.085 0.000 1.024 750 L CA -1.564 53.315 54.840 0.066 0.000 0.825 750 L CB 1.092 43.177 42.059 0.044 0.000 1.386 750 L HN 0.318 nan 8.230 nan 0.000 0.417 751 D N 0.575 121.030 120.400 0.093 0.000 2.472 751 D HA 0.031 4.671 4.640 0.001 0.000 0.237 751 D C 1.384 177.767 176.300 0.139 0.000 1.141 751 D CA -0.053 54.019 54.000 0.120 0.000 0.875 751 D CB 1.934 42.815 40.800 0.135 0.000 1.192 751 D HN 0.407 nan 8.370 nan 0.000 0.450 752 V N 2.281 122.290 119.914 0.158 0.000 2.278 752 V HA -0.310 3.810 4.120 0.001 0.000 0.251 752 V C 2.083 178.288 176.094 0.185 0.000 1.062 752 V CA 1.575 63.977 62.300 0.171 0.000 1.038 752 V CB -0.688 31.259 31.823 0.206 0.000 0.646 752 V HN 0.546 nan 8.190 nan 0.000 0.447 753 F N 1.768 121.775 119.950 0.096 0.000 2.069 753 F HA -0.226 4.302 4.527 0.001 0.000 0.298 753 F C 2.252 178.084 175.800 0.052 0.000 1.113 753 F CA 2.251 60.292 58.000 0.068 0.000 1.214 753 F CB -0.580 38.439 39.000 0.032 0.000 0.978 753 F HN 0.200 nan 8.300 nan 0.000 0.474 754 D N 0.544 120.957 120.400 0.021 0.000 2.123 754 D HA -0.198 4.442 4.640 0.001 0.000 0.196 754 D C 2.390 178.595 176.300 -0.158 0.000 0.992 754 D CA 1.657 55.604 54.000 -0.089 0.000 0.833 754 D CB -0.815 40.015 40.800 0.050 0.000 0.954 754 D HN 0.413 nan 8.370 nan 0.000 0.455 755 A N 0.964 123.754 122.820 -0.051 0.000 1.933 755 A HA -0.049 4.271 4.320 0.001 0.000 0.218 755 A C 2.304 179.923 177.584 0.058 0.000 1.175 755 A CA 2.175 54.199 52.037 -0.023 0.000 0.628 755 A CB -0.599 18.495 19.000 0.157 0.000 0.814 755 A HN 0.247 nan 8.150 nan 0.000 0.444 756 A N -0.547 122.286 122.820 0.021 0.000 1.969 756 A HA -0.046 4.274 4.320 0.001 0.000 0.218 756 A C 1.884 179.389 177.584 -0.130 0.000 1.169 756 A CA 1.904 53.952 52.037 0.018 0.000 0.635 756 A CB -0.378 18.589 19.000 -0.056 0.000 0.810 756 A HN 0.553 nan 8.150 nan 0.000 0.445 757 E N 0.331 120.325 120.200 -0.343 0.000 2.005 757 E HA -0.197 4.154 4.350 0.001 0.000 0.198 757 E C 2.167 178.631 176.600 -0.227 0.000 1.010 757 E CA 1.740 57.926 56.400 -0.357 0.000 0.825 757 E CB -0.253 29.203 29.700 -0.407 0.000 0.769 757 E HN 0.536 nan 8.360 nan 0.000 0.456 758 R N -0.955 119.370 120.500 -0.292 0.000 2.143 758 R HA -0.254 4.086 4.340 0.001 0.000 0.239 758 R C 2.507 178.651 176.300 -0.259 0.000 1.126 758 R CA 2.049 57.929 56.100 -0.367 0.000 0.927 758 R CB -0.999 28.835 30.300 -0.777 0.000 0.860 758 R HN 0.310 nan 8.270 nan 0.000 0.433 759 Y N 1.211 121.384 120.300 -0.212 0.000 2.096 759 Y HA -0.332 4.219 4.550 0.001 0.000 0.278 759 Y C 2.649 178.498 175.900 -0.085 0.000 1.192 759 Y CA 1.922 59.990 58.100 -0.055 0.000 1.143 759 Y CB -0.472 37.978 38.460 -0.017 0.000 0.963 759 Y HN 0.246 nan 8.280 nan 0.000 0.505 760 Q N -0.952 118.876 119.800 0.048 0.000 2.167 760 Q HA -0.246 4.095 4.340 0.001 0.000 0.202 760 Q C 2.227 178.182 176.000 -0.075 0.000 0.970 760 Q CA 1.367 57.154 55.803 -0.026 0.000 0.855 760 Q CB -0.177 28.525 28.738 -0.060 0.000 0.911 760 Q HN 0.468 nan 8.270 nan 0.000 0.438 761 Q N 1.157 120.897 119.800 -0.099 0.000 1.993 761 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 761 Q C 1.399 177.314 176.000 -0.142 0.000 0.984 761 Q CA 1.646 57.383 55.803 -0.110 0.000 0.837 761 Q CB 0.036 28.704 28.738 -0.116 0.000 0.902 761 Q HN 0.350 nan 8.270 nan 0.000 0.423 762 E N -1.034 119.053 120.200 -0.189 0.000 2.455 762 E HA -0.038 4.312 4.350 0.001 0.000 0.202 762 E C 0.639 176.936 176.600 -0.505 0.000 1.045 762 E CA 0.471 56.670 56.400 -0.334 0.000 0.872 762 E CB -0.214 29.278 29.700 -0.347 0.000 0.792 762 E HN 0.535 nan 8.360 nan 0.000 0.542 763 G N 1.707 110.326 108.800 -0.302 0.000 2.176 763 G HA2 -0.254 3.707 3.960 0.001 0.000 0.252 763 G HA3 -0.254 3.707 3.960 0.001 0.000 0.252 763 G C -0.371 174.421 174.900 -0.179 0.000 1.024 763 G CA -0.107 44.865 45.100 -0.212 0.000 0.755 763 G HN 0.333 nan 8.290 nan 0.000 0.507 764 H N 0.459 119.533 119.070 0.007 0.000 2.562 764 H HA 0.381 4.937 4.556 0.001 0.000 0.314 764 H C -1.899 173.444 175.328 0.025 0.000 1.079 764 H CA -1.857 54.195 56.048 0.007 0.000 1.349 764 H CB 1.081 30.817 29.762 -0.042 0.000 1.432 764 H HN 0.172 nan 8.280 nan 0.000 0.479 765 P HA 0.133 nan 4.420 nan 0.000 0.272 765 P C -0.198 177.143 177.300 0.068 0.000 1.254 765 P CA -0.125 63.035 63.100 0.101 0.000 0.795 765 P CB 0.875 32.643 31.700 0.113 0.000 1.022 766 L N 0.429 121.665 121.223 0.023 0.000 2.434 766 L HA 0.646 4.987 4.340 0.001 0.000 0.260 766 L C -0.138 176.720 176.870 -0.020 0.000 0.983 766 L CA -0.864 53.954 54.840 -0.037 0.000 0.820 766 L CB 1.821 43.825 42.059 -0.092 0.000 1.361 766 L HN 0.382 nan 8.230 nan 0.000 0.410 767 I N -1.006 119.528 120.570 -0.060 0.000 3.279 767 I HA 0.789 4.960 4.170 0.001 0.000 0.315 767 I C -1.561 174.481 176.117 -0.124 0.000 1.225 767 I CA -0.953 60.299 61.300 -0.080 0.000 0.947 767 I CB 2.507 40.431 38.000 -0.126 0.000 1.293 767 I HN 0.217 nan 8.210 nan 0.000 0.468 768 V N 2.912 122.740 119.914 -0.144 0.000 2.656 768 V HA 0.518 4.638 4.120 0.001 0.000 0.307 768 V C -0.425 175.499 176.094 -0.283 0.000 1.051 768 V CA -0.509 61.671 62.300 -0.199 0.000 0.893 768 V CB 2.001 33.739 31.823 -0.142 0.000 0.999 768 V HN 0.508 nan 8.190 nan 0.000 0.426 769 L N 4.115 125.153 121.223 -0.308 0.000 2.307 769 L HA 0.930 5.271 4.340 0.001 0.000 0.284 769 L C 0.120 176.807 176.870 -0.305 0.000 1.023 769 L CA -0.190 54.477 54.840 -0.289 0.000 0.810 769 L CB 1.674 43.588 42.059 -0.242 0.000 1.231 769 L HN 0.800 nan 8.230 nan 0.000 0.423 770 A N 1.901 124.542 122.820 -0.298 0.000 2.594 770 A HA 0.842 5.163 4.320 0.001 0.000 0.291 770 A C -0.022 177.468 177.584 -0.156 0.000 1.105 770 A CA 0.023 51.885 52.037 -0.291 0.000 0.694 770 A CB 1.259 19.929 19.000 -0.550 0.000 1.291 770 A HN 0.715 nan 8.150 nan 0.000 0.410 771 G N -0.059 108.675 108.800 -0.111 0.000 3.224 771 G HA2 0.424 4.384 3.960 0.001 0.000 0.161 771 G HA3 0.424 4.384 3.960 0.001 0.000 0.161 771 G C 0.100 174.963 174.900 -0.061 0.000 1.872 771 G CA -0.222 44.839 45.100 -0.066 0.000 1.012 771 G HN 0.769 nan 8.290 nan 0.000 0.504 772 K N 0.208 120.588 120.400 -0.034 0.000 2.139 772 K HA 0.379 4.699 4.320 0.001 0.000 0.243 772 K C -0.404 176.203 176.600 0.012 0.000 0.983 772 K CA -0.405 55.868 56.287 -0.023 0.000 0.890 772 K CB 1.402 33.892 32.500 -0.016 0.000 1.090 772 K HN 0.536 nan 8.250 nan 0.000 0.445 773 E N 0.649 120.860 120.200 0.018 0.000 2.228 773 E HA -0.282 4.069 4.350 0.001 0.000 0.213 773 E C -1.066 175.577 176.600 0.072 0.000 1.282 773 E CA 0.419 56.846 56.400 0.044 0.000 0.707 773 E CB -1.267 28.452 29.700 0.031 0.000 1.150 773 E HN 0.364 nan 8.360 nan 0.000 0.362 774 Y N 0.813 121.070 120.300 -0.072 0.000 2.442 774 Y HA 0.295 4.846 4.550 0.001 0.000 0.330 774 Y C 1.312 177.191 175.900 -0.034 0.000 1.129 774 Y CA 1.027 59.087 58.100 -0.066 0.000 1.365 774 Y CB 0.951 39.322 38.460 -0.147 0.000 1.233 774 Y HN 0.298 nan 8.280 nan 0.000 0.529 775 G N 3.882 112.205 108.800 -0.796 0.000 2.225 775 G HA2 -0.219 3.741 3.960 0.001 0.000 0.264 775 G HA3 -0.219 3.741 3.960 0.001 0.000 0.264 775 G C -0.146 174.546 174.900 -0.346 0.000 1.060 775 G CA 0.315 44.838 45.100 -0.962 0.000 0.833 775 G HN 1.124 nan 8.290 nan 0.000 0.498 776 S N -0.785 114.805 115.700 -0.184 0.000 2.687 776 S HA 1.011 5.482 4.470 0.001 0.000 0.283 776 S C 0.725 175.285 174.600 -0.067 0.000 1.170 776 S CA 0.373 58.532 58.200 -0.067 0.000 1.008 776 S CB 2.754 65.941 63.200 -0.023 0.000 1.026 776 S HN 2.442 nan 8.310 nan 0.000 0.541 777 G N 0.388 109.170 108.800 -0.031 0.000 2.434 777 G HA2 0.162 4.122 3.960 0.001 0.000 0.671 777 G HA3 0.162 4.122 3.960 0.001 0.000 0.671 777 G C -0.187 174.705 174.900 -0.014 0.000 1.280 777 G CA -0.370 44.711 45.100 -0.031 0.000 0.975 777 G HN 1.607 nan 8.290 nan 0.000 0.510 778 S N -1.075 114.616 115.700 -0.014 0.000 2.564 778 S HA 0.381 4.852 4.470 0.001 0.000 0.263 778 S C 1.208 175.816 174.600 0.013 0.000 1.378 778 S CA 1.198 59.399 58.200 0.003 0.000 0.996 778 S CB 0.475 63.674 63.200 -0.002 0.000 0.881 778 S HN 2.200 nan 8.310 nan 0.000 0.555 779 S N 1.962 117.679 115.700 0.029 0.000 2.531 779 S HA 0.372 4.843 4.470 0.001 0.000 0.279 779 S C -0.650 173.977 174.600 0.044 0.000 1.305 779 S CA -0.499 57.725 58.200 0.041 0.000 1.058 779 S CB -0.191 63.039 63.200 0.050 0.000 0.899 779 S HN 0.623 nan 8.310 nan 0.000 0.493 780 R N 3.974 124.504 120.500 0.050 0.000 2.507 780 R HA 0.203 4.543 4.340 0.001 0.000 0.298 780 R C -0.178 176.172 176.300 0.084 0.000 1.087 780 R CA -0.634 55.505 56.100 0.066 0.000 0.917 780 R CB 1.117 31.442 30.300 0.042 0.000 1.173 780 R HN 0.667 nan 8.270 nan 0.000 0.472 781 D N 0.776 121.245 120.400 0.114 0.000 2.203 781 D HA -0.199 4.441 4.640 0.001 0.000 0.199 781 D C 0.695 176.982 176.300 -0.022 0.000 0.997 781 D CA 1.622 55.667 54.000 0.076 0.000 0.863 781 D CB 0.251 41.151 40.800 0.167 0.000 0.928 781 D HN 0.536 nan 8.370 nan 0.000 0.458 782 W N 0.054 121.351 121.300 -0.005 0.000 3.123 782 W HA 0.502 5.163 4.660 0.001 0.000 0.383 782 W C 1.706 178.207 176.519 -0.030 0.000 1.102 782 W CA -0.303 57.035 57.345 -0.012 0.000 1.865 782 W CB -0.203 29.249 29.460 -0.013 0.000 1.111 782 W HN -0.132 nan 8.180 nan 0.000 0.621 783 A N 0.277 123.166 122.820 0.115 0.000 2.139 783 A HA 0.022 4.342 4.320 0.001 0.000 0.221 783 A C 2.014 179.678 177.584 0.133 0.000 1.159 783 A CA 2.342 54.448 52.037 0.116 0.000 0.662 783 A CB -0.349 18.754 19.000 0.172 0.000 0.796 783 A HN 0.208 nan 8.150 nan 0.000 0.463 784 A N -1.021 121.800 122.820 0.002 0.000 1.988 784 A HA 0.233 4.553 4.320 0.001 0.000 0.201 784 A C 1.911 179.500 177.584 0.009 0.000 1.410 784 A CA 0.786 52.791 52.037 -0.054 0.000 0.832 784 A CB -0.064 18.811 19.000 -0.209 0.000 0.981 784 A HN 0.342 nan 8.150 nan 0.000 0.492 785 K N 0.208 120.552 120.400 -0.093 0.000 2.063 785 K HA -0.102 4.218 4.320 0.001 0.000 0.208 785 K C 2.032 178.896 176.600 0.441 0.000 1.048 785 K CA 1.270 57.532 56.287 -0.042 0.000 0.928 785 K CB -0.387 31.723 32.500 -0.650 0.000 0.713 785 K HN 0.434 nan 8.250 nan 0.000 0.442 786 G N 2.050 111.177 108.800 0.546 0.000 2.459 786 G HA2 -0.203 3.757 3.960 0.001 0.000 0.217 786 G HA3 -0.203 3.757 3.960 0.001 0.000 0.217 786 G C -1.002 174.076 174.900 0.297 0.000 1.183 786 G CA 0.703 46.075 45.100 0.453 0.000 0.776 786 G HN 0.240 nan 8.290 nan 0.000 0.552 787 P HA -0.068 nan 4.420 nan 0.000 0.220 787 P C 1.432 178.899 177.300 0.278 0.000 1.148 787 P CA 0.473 63.726 63.100 0.255 0.000 0.803 787 P CB -0.076 31.786 31.700 0.270 0.000 0.782 788 F N 0.276 120.320 119.950 0.157 0.000 2.146 788 F HA -0.094 4.433 4.527 0.001 0.000 0.298 788 F C 1.708 177.615 175.800 0.178 0.000 1.096 788 F CA 1.380 59.463 58.000 0.138 0.000 1.275 788 F CB -0.766 38.282 39.000 0.080 0.000 1.008 788 F HN -0.261 nan 8.300 nan 0.000 0.480 789 L N 0.310 121.697 121.223 0.273 0.000 2.622 789 L HA -0.100 4.241 4.340 0.001 0.000 0.233 789 L C 1.485 178.409 176.870 0.090 0.000 1.156 789 L CA 0.342 55.282 54.840 0.165 0.000 0.866 789 L CB -0.498 41.757 42.059 0.326 0.000 0.980 789 L HN 0.278 nan 8.230 nan 0.000 0.448 790 L N -0.798 120.481 121.223 0.093 0.000 2.640 790 L HA 0.245 4.586 4.340 0.001 0.000 0.230 790 L C 1.476 178.345 176.870 -0.001 0.000 1.123 790 L CA 0.583 55.471 54.840 0.079 0.000 0.900 790 L CB 0.041 42.208 42.059 0.179 0.000 1.146 790 L HN 0.439 nan 8.230 nan 0.000 0.484 791 G N 1.005 109.761 108.800 -0.074 0.000 2.175 791 G HA2 -0.269 3.692 3.960 0.001 0.000 0.244 791 G HA3 -0.269 3.692 3.960 0.001 0.000 0.244 791 G C 0.308 175.185 174.900 -0.038 0.000 0.982 791 G CA -0.350 44.694 45.100 -0.092 0.000 0.641 791 G HN 0.261 nan 8.290 nan 0.000 0.527 792 I N 1.124 121.707 120.570 0.022 0.000 2.587 792 I HA 0.127 4.298 4.170 0.001 0.000 0.284 792 I C 1.457 177.626 176.117 0.086 0.000 1.134 792 I CA 0.049 61.391 61.300 0.069 0.000 1.410 792 I CB 0.885 38.978 38.000 0.155 0.000 1.392 792 I HN -0.075 nan 8.210 nan 0.000 0.545 793 K N 5.149 125.594 120.400 0.075 0.000 2.352 793 K HA 0.402 4.722 4.320 0.001 0.000 0.194 793 K C 0.134 176.802 176.600 0.113 0.000 1.038 793 K CA 0.209 56.563 56.287 0.112 0.000 1.023 793 K CB 0.804 33.363 32.500 0.099 0.000 0.840 793 K HN 0.717 nan 8.250 nan 0.000 0.519 794 A N 0.121 122.983 122.820 0.070 0.000 2.601 794 A HA 0.595 4.916 4.320 0.001 0.000 0.291 794 A C -1.435 176.155 177.584 0.010 0.000 1.075 794 A CA -0.621 51.435 52.037 0.032 0.000 0.671 794 A CB 1.416 20.411 19.000 -0.008 0.000 1.277 794 A HN -0.149 nan 8.150 nan 0.000 0.417 795 V N 0.555 120.475 119.914 0.009 0.000 2.735 795 V HA 0.711 4.831 4.120 0.001 0.000 0.310 795 V C -1.232 174.822 176.094 -0.065 0.000 1.061 795 V CA -0.527 61.765 62.300 -0.013 0.000 0.913 795 V CB 1.712 33.621 31.823 0.143 0.000 1.005 795 V HN 0.914 nan 8.190 nan 0.000 0.428 796 L N 4.052 125.134 121.223 -0.235 0.000 2.377 796 L HA 0.927 5.267 4.340 0.001 0.000 0.270 796 L C -0.162 176.385 176.870 -0.538 0.000 0.991 796 L CA -0.038 54.566 54.840 -0.394 0.000 0.851 796 L CB 0.920 42.734 42.059 -0.408 0.000 1.218 796 L HN 0.866 nan 8.230 nan 0.000 0.420 797 A N 3.477 125.936 122.820 -0.601 0.000 2.527 797 A HA 0.683 5.003 4.320 0.001 0.000 0.293 797 A C 0.377 177.795 177.584 -0.277 0.000 1.117 797 A CA -0.426 51.304 52.037 -0.511 0.000 0.723 797 A CB 1.142 19.645 19.000 -0.828 0.000 1.313 797 A HN 0.737 nan 8.150 nan 0.000 0.411 798 E N -0.092 120.105 120.200 -0.006 0.000 2.122 798 E HA 0.109 4.460 4.350 0.001 0.000 0.190 798 E C 0.297 176.870 176.600 -0.045 0.000 0.977 798 E CA 1.165 57.632 56.400 0.112 0.000 0.820 798 E CB 0.266 29.996 29.700 0.050 0.000 0.770 798 E HN 0.427 nan 8.360 nan 0.000 0.462 799 S N -0.851 114.757 115.700 -0.154 0.000 2.533 799 S HA 0.422 4.893 4.470 0.001 0.000 0.271 799 S C -1.937 172.563 174.600 -0.167 0.000 1.143 799 S CA -0.725 57.414 58.200 -0.102 0.000 0.891 799 S CB 0.564 63.755 63.200 -0.016 0.000 1.105 799 S HN 0.063 nan 8.310 nan 0.000 0.468 800 Y N 1.818 122.175 120.300 0.095 0.000 2.377 800 Y HA 0.437 4.987 4.550 0.001 0.000 0.339 800 Y C 0.420 176.376 175.900 0.094 0.000 1.011 800 Y CA -0.757 57.425 58.100 0.138 0.000 1.093 800 Y CB 1.153 39.695 38.460 0.137 0.000 1.201 800 Y HN 0.591 nan 8.280 nan 0.000 0.455 801 E N 4.333 124.685 120.200 0.253 0.000 2.366 801 E HA 0.006 4.357 4.350 0.001 0.000 0.266 801 E C 1.244 177.944 176.600 0.166 0.000 1.015 801 E CA 0.079 56.571 56.400 0.153 0.000 0.906 801 E CB 0.552 30.305 29.700 0.089 0.000 0.979 801 E HN 0.854 nan 8.360 nan 0.000 0.443 802 R N 4.531 125.102 120.500 0.118 0.000 2.234 802 R HA -0.268 4.073 4.340 0.001 0.000 0.241 802 R C 2.030 178.376 176.300 0.076 0.000 1.115 802 R CA 2.737 58.890 56.100 0.088 0.000 0.913 802 R CB -0.390 29.950 30.300 0.065 0.000 0.911 802 R HN 0.723 nan 8.270 nan 0.000 0.430 803 I N -0.911 119.706 120.570 0.078 0.000 2.127 803 I HA -0.302 3.868 4.170 0.001 0.000 0.241 803 I C 2.603 178.751 176.117 0.053 0.000 1.075 803 I CA 1.975 63.313 61.300 0.063 0.000 1.334 803 I CB -0.637 37.405 38.000 0.070 0.000 1.040 803 I HN 0.458 nan 8.210 nan 0.000 0.405 804 H N 1.040 120.111 119.070 0.002 0.000 2.422 804 H HA -0.185 4.372 4.556 0.001 0.000 0.298 804 H C 2.367 177.681 175.328 -0.023 0.000 1.098 804 H CA 1.698 57.734 56.048 -0.019 0.000 1.315 804 H CB -0.031 29.704 29.762 -0.045 0.000 1.382 804 H HN 0.108 nan 8.280 nan 0.000 0.523 805 R N -0.475 120.041 120.500 0.026 0.000 2.081 805 R HA -0.144 4.197 4.340 0.001 0.000 0.235 805 R C 2.541 178.746 176.300 -0.158 0.000 1.131 805 R CA 1.457 57.475 56.100 -0.137 0.000 0.960 805 R CB -0.459 29.763 30.300 -0.130 0.000 0.856 805 R HN 0.319 nan 8.270 nan 0.000 0.436 806 S N 0.233 115.881 115.700 -0.087 0.000 2.368 806 S HA -0.139 4.332 4.470 0.001 0.000 0.225 806 S C 1.405 175.946 174.600 -0.098 0.000 1.030 806 S CA 1.794 59.958 58.200 -0.060 0.000 0.999 806 S CB -0.317 62.870 63.200 -0.022 0.000 0.844 806 S HN 0.542 nan 8.310 nan 0.000 0.459 807 N N 0.793 119.389 118.700 -0.174 0.000 2.120 807 N HA -0.024 4.717 4.740 0.001 0.000 0.188 807 N C 1.787 177.144 175.510 -0.254 0.000 1.024 807 N CA 1.506 54.416 53.050 -0.233 0.000 0.852 807 N CB -0.296 38.006 38.487 -0.309 0.000 1.003 807 N HN 0.333 nan 8.380 nan 0.000 0.424 808 L N 0.487 121.529 121.223 -0.301 0.000 2.046 808 L HA -0.153 4.187 4.340 0.001 0.000 0.208 808 L C 2.188 179.018 176.870 -0.066 0.000 1.077 808 L CA 0.827 55.559 54.840 -0.181 0.000 0.747 808 L CB -0.478 41.489 42.059 -0.153 0.000 0.896 808 L HN 0.089 nan 8.230 nan 0.000 0.432 809 V N 0.269 120.166 119.914 -0.027 0.000 2.332 809 V HA -0.249 3.871 4.120 0.001 0.000 0.248 809 V C 2.640 178.767 176.094 0.054 0.000 1.055 809 V CA 2.052 64.418 62.300 0.110 0.000 1.038 809 V CB -1.350 30.564 31.823 0.152 0.000 0.651 809 V HN 0.598 nan 8.190 nan 0.000 0.450 810 G N -0.781 107.997 108.800 -0.035 0.000 2.450 810 G HA2 -0.237 3.724 3.960 0.001 0.000 0.220 810 G HA3 -0.237 3.724 3.960 0.001 0.000 0.220 810 G C 1.209 175.954 174.900 -0.257 0.000 1.130 810 G CA 0.690 45.699 45.100 -0.152 0.000 0.760 810 G HN 0.392 nan 8.290 nan 0.000 0.557 811 M N 0.865 120.313 119.600 -0.253 0.000 2.626 811 M HA 0.265 4.745 4.480 0.001 0.000 0.262 811 M C 1.808 177.939 176.300 -0.282 0.000 1.256 811 M CA -0.234 54.821 55.300 -0.408 0.000 0.981 811 M CB -0.447 31.903 32.600 -0.418 0.000 1.492 811 M HN 0.401 nan 8.290 nan 0.000 0.474 812 G N 0.262 109.016 108.800 -0.078 0.000 2.189 812 G HA2 -0.232 3.728 3.960 0.001 0.000 0.267 812 G HA3 -0.232 3.728 3.960 0.001 0.000 0.267 812 G C 0.331 175.401 174.900 0.283 0.000 0.975 812 G CA 0.353 45.524 45.100 0.118 0.000 0.644 812 G HN 0.389 nan 8.290 nan 0.000 0.537 813 V N 1.616 121.658 119.914 0.212 0.000 2.637 813 V HA 0.362 4.482 4.120 0.001 0.000 0.296 813 V C 1.173 177.367 176.094 0.165 0.000 1.046 813 V CA -0.129 62.301 62.300 0.216 0.000 1.066 813 V CB 1.458 33.383 31.823 0.169 0.000 0.968 813 V HN 0.305 nan 8.190 nan 0.000 0.483 814 I N 7.832 128.458 120.570 0.093 0.000 2.337 814 I HA 0.269 4.439 4.170 0.001 0.000 0.291 814 I C -2.086 173.878 176.117 -0.257 0.000 1.046 814 I CA -1.543 59.669 61.300 -0.146 0.000 1.324 814 I CB 1.514 39.420 38.000 -0.157 0.000 1.409 814 I HN 0.462 nan 8.210 nan 0.000 0.494 815 P HA 0.330 nan 4.420 nan 0.000 0.295 815 P C -0.944 176.158 177.300 -0.330 0.000 1.354 815 P CA -0.312 62.530 63.100 -0.431 0.000 0.814 815 P CB 1.024 32.289 31.700 -0.725 0.000 0.935 816 L N 2.975 124.140 121.223 -0.097 0.000 2.322 816 L HA 0.513 4.853 4.340 0.001 0.000 0.279 816 L C 0.720 177.580 176.870 -0.017 0.000 1.036 816 L CA -0.431 54.342 54.840 -0.111 0.000 0.807 816 L CB 1.645 43.616 42.059 -0.147 0.000 1.226 816 L HN 0.345 nan 8.230 nan 0.000 0.433 817 E N 1.648 121.795 120.200 -0.089 0.000 2.263 817 E HA 0.307 4.657 4.350 0.001 0.000 0.268 817 E C -1.439 175.093 176.600 -0.114 0.000 0.884 817 E CA -0.779 55.560 56.400 -0.102 0.000 0.766 817 E CB 1.433 31.151 29.700 0.030 0.000 1.196 817 E HN 0.298 nan 8.360 nan 0.000 0.416 818 Y N 2.105 122.374 120.300 -0.052 0.000 2.683 818 Y HA -0.031 4.519 4.550 0.001 0.000 0.340 818 Y C 0.751 176.614 175.900 -0.061 0.000 1.245 818 Y CA 0.294 58.355 58.100 -0.065 0.000 1.485 818 Y CB 0.267 38.651 38.460 -0.126 0.000 1.328 818 Y HN 0.399 nan 8.280 nan 0.000 0.603 819 L N 5.683 126.984 121.223 0.129 0.000 2.461 819 L HA 0.157 4.497 4.340 0.001 0.000 0.272 819 L C -1.847 175.055 176.870 0.054 0.000 1.197 819 L CA -2.013 52.865 54.840 0.064 0.000 0.836 819 L CB -0.080 42.028 42.059 0.082 0.000 1.105 819 L HN 0.449 nan 8.230 nan 0.000 0.477 820 P HA -0.045 nan 4.420 nan 0.000 0.261 820 P C 0.718 178.020 177.300 0.003 0.000 1.183 820 P CA 1.036 64.149 63.100 0.023 0.000 0.761 820 P CB 0.925 32.642 31.700 0.027 0.000 0.785 821 G N 2.736 111.522 108.800 -0.024 0.000 2.284 821 G HA2 -0.165 3.796 3.960 0.001 0.000 0.216 821 G HA3 -0.165 3.796 3.960 0.001 0.000 0.216 821 G C -0.073 174.770 174.900 -0.095 0.000 1.009 821 G CA -0.235 44.837 45.100 -0.048 0.000 0.625 821 G HN 0.591 nan 8.290 nan 0.000 0.501 822 E N 0.710 120.843 120.200 -0.112 0.000 2.232 822 E HA 0.630 4.981 4.350 0.001 0.000 0.265 822 E C 0.259 176.570 176.600 -0.482 0.000 1.001 822 E CA -0.263 56.000 56.400 -0.229 0.000 0.870 822 E CB 1.365 30.962 29.700 -0.172 0.000 1.175 822 E HN 0.784 nan 8.360 nan 0.000 0.407 823 N N -1.713 116.521 118.700 -0.776 0.000 3.405 823 N HA 0.279 5.020 4.740 0.001 0.000 0.292 823 N C 0.247 175.148 175.510 -1.015 0.000 1.456 823 N CA -0.361 51.821 53.050 -1.446 0.000 0.861 823 N CB 0.421 38.419 38.487 -0.816 0.000 1.643 823 N HN 0.356 nan 8.380 nan 0.000 0.474 824 A N 0.668 123.011 122.820 -0.795 0.000 1.848 824 A HA -0.276 4.045 4.320 0.001 0.000 0.217 824 A C 1.429 178.857 177.584 -0.261 0.000 1.220 824 A CA 2.711 54.544 52.037 -0.340 0.000 0.645 824 A CB -1.460 17.434 19.000 -0.176 0.000 0.842 824 A HN 0.788 nan 8.150 nan 0.000 0.451 825 D N -0.500 119.768 120.400 -0.220 0.000 2.160 825 D HA -0.200 4.440 4.640 0.001 0.000 0.189 825 D C 2.302 178.504 176.300 -0.162 0.000 1.003 825 D CA 1.975 55.880 54.000 -0.158 0.000 0.846 825 D CB -0.811 39.906 40.800 -0.138 0.000 0.949 825 D HN 0.473 nan 8.370 nan 0.000 0.446 826 S N 0.071 115.647 115.700 -0.206 0.000 2.389 826 S HA -0.210 4.261 4.470 0.001 0.000 0.229 826 S C 2.130 176.631 174.600 -0.165 0.000 1.048 826 S CA 1.451 59.543 58.200 -0.181 0.000 1.117 826 S CB -0.615 62.454 63.200 -0.219 0.000 1.020 826 S HN 0.304 nan 8.310 nan 0.000 0.430 827 L N 0.673 121.760 121.223 -0.227 0.000 2.265 827 L HA 0.076 4.416 4.340 0.001 0.000 0.215 827 L C 2.307 179.114 176.870 -0.105 0.000 1.117 827 L CA 0.861 55.587 54.840 -0.189 0.000 0.782 827 L CB -0.931 40.924 42.059 -0.341 0.000 0.914 827 L HN 0.781 nan 8.230 nan 0.000 0.441 828 G N -0.392 108.348 108.800 -0.101 0.000 2.213 828 G HA2 -0.265 3.696 3.960 0.001 0.000 0.236 828 G HA3 -0.265 3.696 3.960 0.001 0.000 0.236 828 G C 0.375 175.265 174.900 -0.017 0.000 0.991 828 G CA -0.132 44.938 45.100 -0.051 0.000 0.629 828 G HN 0.195 nan 8.290 nan 0.000 0.517 829 L N 1.570 122.791 121.223 -0.004 0.000 2.693 829 L HA 0.142 4.483 4.340 0.001 0.000 0.292 829 L C 2.075 178.991 176.870 0.078 0.000 1.243 829 L CA 1.275 56.170 54.840 0.092 0.000 0.903 829 L CB 0.206 42.358 42.059 0.156 0.000 1.160 829 L HN 0.533 nan 8.230 nan 0.000 0.496 830 T N -2.341 112.288 114.554 0.124 0.000 3.018 830 T HA 0.273 4.624 4.350 0.001 0.000 0.246 830 T C 1.239 176.083 174.700 0.240 0.000 1.026 830 T CA 0.400 62.577 62.100 0.128 0.000 1.081 830 T CB 0.763 69.693 68.868 0.104 0.000 0.970 830 T HN 0.967 nan 8.240 nan 0.000 0.475 831 G N 1.521 110.510 108.800 0.315 0.000 2.163 831 G HA2 -0.185 3.776 3.960 0.001 0.000 0.213 831 G HA3 -0.185 3.776 3.960 0.001 0.000 0.213 831 G C 1.034 176.203 174.900 0.450 0.000 0.991 831 G CA 0.119 45.499 45.100 0.468 0.000 0.653 831 G HN 0.447 nan 8.290 nan 0.000 0.518 832 R N 0.200 120.819 120.500 0.198 0.000 2.282 832 R HA 0.198 4.538 4.340 0.001 0.000 0.195 832 R C 0.651 176.881 176.300 -0.117 0.000 0.909 832 R CA 0.676 56.759 56.100 -0.027 0.000 1.039 832 R CB 0.223 30.492 30.300 -0.051 0.000 1.015 832 R HN 0.575 nan 8.270 nan 0.000 0.513 833 E N 1.010 121.183 120.200 -0.045 0.000 2.369 833 E HA 0.198 4.548 4.350 0.001 0.000 0.255 833 E C -0.393 176.066 176.600 -0.235 0.000 1.172 833 E CA -0.260 56.028 56.400 -0.187 0.000 0.932 833 E CB 0.522 30.067 29.700 -0.259 0.000 1.040 833 E HN -0.219 nan 8.360 nan 0.000 0.454 834 R N 0.635 120.952 120.500 -0.305 0.000 2.265 834 R HA 0.311 4.651 4.340 0.001 0.000 0.319 834 R C -1.093 175.103 176.300 -0.174 0.000 1.006 834 R CA -0.326 55.668 56.100 -0.178 0.000 0.880 834 R CB 0.417 30.648 30.300 -0.115 0.000 1.077 834 R HN 0.435 nan 8.270 nan 0.000 0.454 835 Y N 0.688 120.971 120.300 -0.028 0.000 2.342 835 Y HA 0.393 4.943 4.550 0.001 0.000 0.334 835 Y C 0.398 176.292 175.900 -0.009 0.000 1.067 835 Y CA -0.521 57.568 58.100 -0.019 0.000 1.128 835 Y CB 2.170 40.626 38.460 -0.007 0.000 1.200 835 Y HN 0.401 nan 8.280 nan 0.000 0.464 836 T N 5.109 119.706 114.554 0.072 0.000 2.840 836 T HA 0.597 4.947 4.350 0.001 0.000 0.287 836 T C -0.968 173.737 174.700 0.008 0.000 0.991 836 T CA -0.446 61.679 62.100 0.043 0.000 0.964 836 T CB 0.273 69.146 68.868 0.009 0.000 0.954 836 T HN 0.275 nan 8.240 nan 0.000 0.438 837 I N 4.257 124.842 120.570 0.025 0.000 2.411 837 I HA 0.438 4.608 4.170 0.001 0.000 0.284 837 I C -0.308 175.824 176.117 0.026 0.000 1.012 837 I CA -0.329 60.970 61.300 -0.001 0.000 1.119 837 I CB 1.417 39.413 38.000 -0.006 0.000 1.261 837 I HN 0.563 nan 8.210 nan 0.000 0.448 838 I N 7.041 127.621 120.570 0.018 0.000 2.291 838 I HA 0.327 4.497 4.170 0.001 0.000 0.290 838 I C -0.128 176.022 176.117 0.056 0.000 1.050 838 I CA -0.355 60.970 61.300 0.042 0.000 1.245 838 I CB 0.478 38.496 38.000 0.031 0.000 1.405 838 I HN 0.411 nan 8.210 nan 0.000 0.478 839 I N 9.225 129.851 120.570 0.093 0.000 2.416 839 I HA 0.195 4.366 4.170 0.001 0.000 0.288 839 I C -1.632 174.567 176.117 0.137 0.000 1.051 839 I CA -1.509 59.868 61.300 0.128 0.000 1.375 839 I CB 0.442 38.570 38.000 0.214 0.000 1.407 839 I HN 0.376 nan 8.210 nan 0.000 0.516 840 P HA 0.155 nan 4.420 nan 0.000 0.277 840 P C -0.264 177.132 177.300 0.159 0.000 1.240 840 P CA -0.371 62.799 63.100 0.118 0.000 0.798 840 P CB 0.958 32.715 31.700 0.096 0.000 0.979 841 E N 0.289 120.569 120.200 0.134 0.000 2.481 841 E HA -0.010 4.341 4.350 0.001 0.000 0.195 841 E C 0.155 176.847 176.600 0.153 0.000 1.047 841 E CA 0.351 56.841 56.400 0.150 0.000 0.867 841 E CB -0.042 29.711 29.700 0.089 0.000 0.858 841 E HN 0.370 nan 8.360 nan 0.000 0.513 842 N N 1.117 119.895 118.700 0.131 0.000 2.538 842 N HA 0.138 4.878 4.740 0.001 0.000 0.291 842 N C -0.252 175.338 175.510 0.133 0.000 1.323 842 N CA -0.034 53.085 53.050 0.116 0.000 0.934 842 N CB 0.523 39.056 38.487 0.075 0.000 1.255 842 N HN 0.125 nan 8.380 nan 0.000 0.509 843 L N 1.211 122.544 121.223 0.183 0.000 2.543 843 L HA -0.039 4.302 4.340 0.001 0.000 0.285 843 L C 0.829 177.782 176.870 0.139 0.000 1.236 843 L CA 0.754 55.694 54.840 0.167 0.000 0.871 843 L CB 0.299 42.480 42.059 0.203 0.000 1.121 843 L HN 0.261 nan 8.230 nan 0.000 0.501 844 T N 0.783 115.406 114.554 0.115 0.000 2.906 844 T HA 0.539 4.890 4.350 0.001 0.000 0.295 844 T C -2.691 172.067 174.700 0.097 0.000 1.075 844 T CA -2.192 59.964 62.100 0.094 0.000 1.005 844 T CB 1.855 70.768 68.868 0.075 0.000 1.136 844 T HN 0.210 nan 8.240 nan 0.000 0.498 845 P HA 0.240 nan 4.420 nan 0.000 0.265 845 P C 0.111 177.452 177.300 0.070 0.000 1.193 845 P CA 0.028 63.175 63.100 0.079 0.000 0.765 845 P CB 0.120 31.852 31.700 0.053 0.000 0.823 846 R N -0.431 120.099 120.500 0.050 0.000 3.722 846 R HA -0.228 4.113 4.340 0.001 0.000 0.284 846 R C 0.598 176.957 176.300 0.098 0.000 1.165 846 R CA 0.307 56.429 56.100 0.036 0.000 0.779 846 R CB -1.791 28.540 30.300 0.052 0.000 1.179 846 R HN 0.550 nan 8.270 nan 0.000 0.491 847 M N 0.801 120.455 119.600 0.090 0.000 2.232 847 M HA 0.058 4.538 4.480 0.001 0.000 0.321 847 M C 0.366 176.769 176.300 0.171 0.000 1.101 847 M CA 0.486 55.871 55.300 0.142 0.000 1.181 847 M CB 0.537 33.195 32.600 0.097 0.000 1.432 847 M HN 0.151 nan 8.290 nan 0.000 0.457 848 H N 2.232 121.304 119.070 0.003 0.000 2.472 848 H HA 0.610 5.167 4.556 0.001 0.000 0.335 848 H C -0.703 174.624 175.328 -0.001 0.000 1.136 848 H CA -0.902 55.148 56.048 0.004 0.000 1.264 848 H CB 1.545 31.318 29.762 0.019 0.000 1.486 848 H HN 0.601 nan 8.280 nan 0.000 0.517 849 V N 0.303 120.258 119.914 0.067 0.000 3.114 849 V HA 0.315 4.435 4.120 0.001 0.000 0.308 849 V C -0.654 175.433 176.094 -0.012 0.000 1.168 849 V CA -1.137 61.178 62.300 0.024 0.000 1.015 849 V CB 2.155 33.970 31.823 -0.014 0.000 1.050 849 V HN 0.761 nan 8.190 nan 0.000 0.433 850 Q N 1.070 120.851 119.800 -0.032 0.000 2.230 850 Q HA 0.692 5.033 4.340 0.001 0.000 0.248 850 Q C -1.533 174.356 176.000 -0.184 0.000 0.915 850 Q CA -0.591 55.159 55.803 -0.088 0.000 0.900 850 Q CB 1.989 30.696 28.738 -0.052 0.000 1.229 850 Q HN 0.826 nan 8.270 nan 0.000 0.439 851 V N 4.827 124.518 119.914 -0.371 0.000 2.357 851 V HA 0.271 4.391 4.120 0.001 0.000 0.281 851 V C -0.700 175.125 176.094 -0.449 0.000 1.015 851 V CA -0.765 61.235 62.300 -0.499 0.000 0.827 851 V CB 1.126 32.334 31.823 -1.024 0.000 1.018 851 V HN 0.729 nan 8.190 nan 0.000 0.432 852 K N 5.677 125.935 120.400 -0.237 0.000 2.213 852 K HA 0.776 5.096 4.320 0.001 0.000 0.270 852 K C -0.909 175.579 176.600 -0.187 0.000 1.002 852 K CA -0.679 55.502 56.287 -0.177 0.000 0.868 852 K CB 2.028 34.467 32.500 -0.103 0.000 1.093 852 K HN 0.447 nan 8.250 nan 0.000 0.454 853 L N 2.566 123.664 121.223 -0.208 0.000 2.439 853 L HA 0.071 4.411 4.340 0.001 0.000 0.259 853 L C 1.266 178.033 176.870 -0.172 0.000 1.129 853 L CA -0.642 54.029 54.840 -0.281 0.000 0.803 853 L CB 0.847 42.725 42.059 -0.302 0.000 1.161 853 L HN 0.890 nan 8.230 nan 0.000 0.462 854 D N -1.240 119.056 120.400 -0.172 0.000 2.144 854 D HA -0.181 4.460 4.640 0.001 0.000 0.200 854 D C 1.538 177.785 176.300 -0.088 0.000 0.978 854 D CA 1.457 55.395 54.000 -0.103 0.000 0.833 854 D CB -0.736 40.009 40.800 -0.091 0.000 0.961 854 D HN 0.663 nan 8.370 nan 0.000 0.470 855 T N -3.718 110.772 114.554 -0.106 0.000 3.427 855 T HA 0.318 4.669 4.350 0.001 0.000 0.256 855 T C 1.654 176.320 174.700 -0.057 0.000 1.172 855 T CA 0.729 62.784 62.100 -0.076 0.000 1.018 855 T CB -0.622 68.199 68.868 -0.078 0.000 0.981 855 T HN 0.475 nan 8.240 nan 0.000 0.555 856 G N 1.275 110.040 108.800 -0.058 0.000 2.336 856 G HA2 -0.319 3.641 3.960 0.001 0.000 0.233 856 G HA3 -0.319 3.641 3.960 0.001 0.000 0.233 856 G C 0.110 174.990 174.900 -0.034 0.000 1.053 856 G CA 0.228 45.304 45.100 -0.040 0.000 0.625 856 G HN 0.914 nan 8.290 nan 0.000 0.511 857 K N 1.754 122.136 120.400 -0.030 0.000 2.414 857 K HA 0.448 4.769 4.320 0.001 0.000 0.272 857 K C 0.038 176.637 176.600 -0.001 0.000 0.993 857 K CA 0.937 57.227 56.287 0.005 0.000 0.964 857 K CB 0.266 32.786 32.500 0.033 0.000 0.925 857 K HN 0.638 nan 8.250 nan 0.000 0.487 858 T N 2.675 117.250 114.554 0.035 0.000 3.031 858 T HA 0.464 4.814 4.350 0.001 0.000 0.305 858 T C -0.680 174.068 174.700 0.080 0.000 0.985 858 T CA -0.958 61.134 62.100 -0.013 0.000 1.008 858 T CB 0.121 68.966 68.868 -0.038 0.000 1.005 858 T HN 0.478 nan 8.240 nan 0.000 0.444 859 F N 1.058 121.026 119.950 0.031 0.000 2.613 859 F HA 0.870 5.398 4.527 0.001 0.000 0.342 859 F C -0.267 175.566 175.800 0.054 0.000 1.066 859 F CA -1.345 56.684 58.000 0.049 0.000 1.002 859 F CB 1.084 40.127 39.000 0.072 0.000 1.319 859 F HN 0.382 nan 8.300 nan 0.000 0.495 860 Q N 0.978 121.015 119.800 0.395 0.000 2.215 860 Q HA 0.779 5.119 4.340 0.001 0.000 0.256 860 Q C -0.928 175.273 176.000 0.335 0.000 0.972 860 Q CA -0.890 55.055 55.803 0.237 0.000 0.889 860 Q CB 1.908 30.770 28.738 0.207 0.000 1.281 860 Q HN 1.027 nan 8.270 nan 0.000 0.456 861 A N 0.521 123.404 122.820 0.104 0.000 2.604 861 A HA 0.595 4.915 4.320 0.001 0.000 0.295 861 A C -1.208 176.275 177.584 -0.169 0.000 1.067 861 A CA -0.589 51.467 52.037 0.032 0.000 0.683 861 A CB 1.290 20.340 19.000 0.084 0.000 1.281 861 A HN 0.334 nan 8.150 nan 0.000 0.407 862 V N 1.742 121.520 119.914 -0.227 0.000 2.509 862 V HA 0.366 4.487 4.120 0.001 0.000 0.284 862 V C -0.034 175.932 176.094 -0.214 0.000 1.047 862 V CA -0.274 61.851 62.300 -0.291 0.000 0.952 862 V CB 1.343 33.009 31.823 -0.262 0.000 0.988 862 V HN 0.758 nan 8.190 nan 0.000 0.469 863 I N 5.952 126.390 120.570 -0.219 0.000 2.308 863 I HA 0.317 4.488 4.170 0.001 0.000 0.293 863 I C 0.793 176.676 176.117 -0.389 0.000 1.078 863 I CA -0.025 61.068 61.300 -0.345 0.000 1.292 863 I CB 0.258 38.072 38.000 -0.311 0.000 1.423 863 I HN 0.410 nan 8.210 nan 0.000 0.493 864 R N 7.203 127.431 120.500 -0.453 0.000 4.576 864 R HA 0.139 4.480 4.340 0.001 0.000 0.185 864 R C -1.287 174.795 176.300 -0.364 0.000 1.837 864 R CA -0.016 55.877 56.100 -0.345 0.000 1.520 864 R CB -1.103 29.044 30.300 -0.254 0.000 1.403 864 R HN 0.343 nan 8.270 nan 0.000 0.831 865 F N 0.261 120.120 119.950 -0.152 0.000 2.332 865 F HA 0.222 4.749 4.527 0.000 0.000 0.368 865 F C 1.093 176.830 175.800 -0.105 0.000 1.110 865 F CA -1.479 56.428 58.000 -0.155 0.000 1.087 865 F CB 1.424 40.309 39.000 -0.192 0.000 1.235 865 F HN 0.047 nan 8.300 nan 0.000 0.470 866 D N 0.525 120.973 120.400 0.080 0.000 2.323 866 D HA 0.008 4.648 4.640 0.001 0.000 0.209 866 D C 1.028 177.331 176.300 0.005 0.000 0.973 866 D CA 0.982 54.998 54.000 0.026 0.000 0.874 866 D CB 0.357 41.158 40.800 0.002 0.000 0.930 866 D HN 0.518 nan 8.370 nan 0.000 0.521 867 T N -2.371 112.170 114.554 -0.021 0.000 2.816 867 T HA 0.202 4.553 4.350 0.001 0.000 0.299 867 T C 0.501 175.146 174.700 -0.091 0.000 1.230 867 T CA -0.746 61.316 62.100 -0.063 0.000 1.007 867 T CB 2.126 70.922 68.868 -0.120 0.000 1.289 867 T HN -0.208 nan 8.240 nan 0.000 0.508 868 D N 0.826 121.187 120.400 -0.066 0.000 2.149 868 D HA -0.128 4.512 4.640 0.001 0.000 0.198 868 D C 1.918 178.165 176.300 -0.090 0.000 0.990 868 D CA 1.038 55.028 54.000 -0.016 0.000 0.839 868 D CB -0.828 40.020 40.800 0.080 0.000 0.948 868 D HN 0.301 nan 8.370 nan 0.000 0.460 869 V N 0.712 120.428 119.914 -0.330 0.000 2.358 869 V HA -0.198 3.923 4.120 0.001 0.000 0.246 869 V C 2.634 178.270 176.094 -0.764 0.000 1.047 869 V CA 1.895 63.756 62.300 -0.732 0.000 1.035 869 V CB -0.632 30.581 31.823 -1.017 0.000 0.658 869 V HN 0.186 nan 8.190 nan 0.000 0.452 870 E N -0.301 119.590 120.200 -0.516 0.000 2.153 870 E HA -0.170 4.181 4.350 0.001 0.000 0.194 870 E C 2.237 178.598 176.600 -0.400 0.000 0.988 870 E CA 0.935 57.099 56.400 -0.393 0.000 0.811 870 E CB -0.051 29.557 29.700 -0.153 0.000 0.746 870 E HN 0.510 nan 8.360 nan 0.000 0.466 871 L N 0.072 121.095 121.223 -0.334 0.000 2.056 871 L HA -0.157 4.184 4.340 0.001 0.000 0.207 871 L C 2.479 179.183 176.870 -0.276 0.000 1.078 871 L CA 1.253 55.867 54.840 -0.377 0.000 0.749 871 L CB -0.427 41.543 42.059 -0.147 0.000 0.901 871 L HN 0.214 nan 8.230 nan 0.000 0.433 872 T N -1.143 113.322 114.554 -0.147 0.000 2.684 872 T HA -0.219 4.132 4.350 0.001 0.000 0.267 872 T C 1.766 176.428 174.700 -0.063 0.000 1.036 872 T CA 1.336 63.403 62.100 -0.056 0.000 1.148 872 T CB -0.352 68.464 68.868 -0.086 0.000 0.863 872 T HN 0.164 nan 8.240 nan 0.000 0.436 873 Y N 0.579 120.729 120.300 -0.250 0.000 2.256 873 Y HA -0.045 4.506 4.550 0.001 0.000 0.288 873 Y C 2.140 177.948 175.900 -0.154 0.000 1.155 873 Y CA -0.215 57.763 58.100 -0.203 0.000 1.203 873 Y CB -1.214 37.143 38.460 -0.173 0.000 0.980 873 Y HN 0.241 nan 8.280 nan 0.000 0.530 874 F N 0.427 120.208 119.950 -0.282 0.000 2.113 874 F HA -0.203 4.325 4.527 0.001 0.000 0.297 874 F C 2.483 178.151 175.800 -0.220 0.000 1.103 874 F CA 1.704 59.460 58.000 -0.406 0.000 1.248 874 F CB -0.704 37.677 39.000 -1.033 0.000 0.999 874 F HN 0.060 nan 8.300 nan 0.000 0.475 875 H N 0.166 119.017 119.070 -0.366 0.000 2.387 875 H HA -0.094 4.462 4.556 0.001 0.000 0.299 875 H C 1.728 176.912 175.328 -0.240 0.000 1.099 875 H CA 1.585 57.402 56.048 -0.386 0.000 1.315 875 H CB -0.687 28.971 29.762 -0.173 0.000 1.380 875 H HN 0.397 nan 8.280 nan 0.000 0.513 876 N N 0.009 118.715 118.700 0.009 0.000 2.461 876 N HA -0.038 4.702 4.740 0.001 0.000 0.188 876 N C 1.015 176.530 175.510 0.009 0.000 1.134 876 N CA 0.760 53.842 53.050 0.054 0.000 0.878 876 N CB 0.623 39.213 38.487 0.172 0.000 0.972 876 N HN 0.466 nan 8.380 nan 0.000 0.456 877 G N 0.397 109.160 108.800 -0.061 0.000 2.143 877 G HA2 -0.163 3.797 3.960 0.001 0.000 0.248 877 G HA3 -0.163 3.797 3.960 0.001 0.000 0.248 877 G C 0.333 175.199 174.900 -0.055 0.000 0.991 877 G CA 0.316 45.397 45.100 -0.031 0.000 0.689 877 G HN 0.743 nan 8.290 nan 0.000 0.522 878 G N -1.945 106.820 108.800 -0.059 0.000 2.326 878 G HA2 0.338 4.299 3.960 0.001 0.000 0.413 878 G HA3 0.338 4.299 3.960 0.001 0.000 0.413 878 G C 0.501 175.270 174.900 -0.219 0.000 1.444 878 G CA -0.103 44.898 45.100 -0.164 0.000 1.002 878 G HN 1.110 nan 8.290 nan 0.000 0.649 879 I N 0.265 120.560 120.570 -0.458 0.000 2.353 879 I HA 0.035 4.206 4.170 0.001 0.000 0.248 879 I C 2.501 178.434 176.117 -0.307 0.000 1.119 879 I CA 0.850 61.729 61.300 -0.702 0.000 1.417 879 I CB -0.196 37.237 38.000 -0.945 0.000 1.078 879 I HN 0.541 nan 8.210 nan 0.000 0.421 880 L N 0.759 121.831 121.223 -0.251 0.000 1.994 880 L HA -0.261 4.079 4.340 0.001 0.000 0.208 880 L C 2.243 179.085 176.870 -0.047 0.000 1.071 880 L CA 1.800 56.560 54.840 -0.133 0.000 0.745 880 L CB -1.027 41.027 42.059 -0.008 0.000 0.892 880 L HN 0.326 nan 8.230 nan 0.000 0.431 881 N N -0.511 118.208 118.700 0.032 0.000 2.043 881 N HA -0.279 4.461 4.740 0.001 0.000 0.193 881 N C 1.667 177.199 175.510 0.038 0.000 1.037 881 N CA 1.474 54.556 53.050 0.053 0.000 0.851 881 N CB -0.757 37.781 38.487 0.086 0.000 1.027 881 N HN 0.254 nan 8.380 nan 0.000 0.422 882 Y N 0.965 121.225 120.300 -0.068 0.000 2.139 882 Y HA -0.225 4.326 4.550 0.001 0.000 0.282 882 Y C 2.307 178.187 175.900 -0.033 0.000 1.179 882 Y CA 1.515 59.605 58.100 -0.016 0.000 1.161 882 Y CB -0.375 38.111 38.460 0.043 0.000 0.970 882 Y HN 0.025 nan 8.280 nan 0.000 0.511 883 M N 0.020 119.533 119.600 -0.145 0.000 2.080 883 M HA -0.225 4.256 4.480 0.001 0.000 0.260 883 M C 2.251 178.426 176.300 -0.208 0.000 1.068 883 M CA 1.667 56.834 55.300 -0.222 0.000 1.109 883 M CB -1.115 31.385 32.600 -0.165 0.000 1.342 883 M HN 0.432 nan 8.290 nan 0.000 0.405 884 I N -0.445 120.012 120.570 -0.189 0.000 2.127 884 I HA -0.396 3.774 4.170 0.001 0.000 0.241 884 I C 2.447 178.480 176.117 -0.141 0.000 1.075 884 I CA 1.456 62.644 61.300 -0.187 0.000 1.334 884 I CB -0.459 37.386 38.000 -0.259 0.000 1.040 884 I HN 0.332 nan 8.210 nan 0.000 0.405 885 R N 0.445 120.872 120.500 -0.121 0.000 2.081 885 R HA -0.163 4.177 4.340 0.001 0.000 0.235 885 R C 2.279 178.499 176.300 -0.133 0.000 1.131 885 R CA 0.887 56.931 56.100 -0.093 0.000 0.960 885 R CB -0.401 29.875 30.300 -0.039 0.000 0.856 885 R HN 0.185 nan 8.270 nan 0.000 0.436 886 K N 0.307 120.563 120.400 -0.239 0.000 2.360 886 K HA -0.089 4.231 4.320 0.001 0.000 0.201 886 K C 1.576 178.084 176.600 -0.153 0.000 1.046 886 K CA 1.163 57.291 56.287 -0.266 0.000 0.940 886 K CB 0.202 32.419 32.500 -0.471 0.000 0.748 886 K HN 0.137 nan 8.250 nan 0.000 0.465 887 M N -1.314 118.214 119.600 -0.120 0.000 2.730 887 M HA 0.150 4.631 4.480 0.001 0.000 0.258 887 M C 0.734 177.005 176.300 -0.048 0.000 1.279 887 M CA 0.282 55.540 55.300 -0.070 0.000 1.183 887 M CB -0.376 32.194 32.600 -0.050 0.000 1.291 887 M HN -0.122 nan 8.290 nan 0.000 0.518 888 A N 2.158 124.947 122.820 -0.052 0.000 3.004 888 A HA 0.468 4.789 4.320 0.001 0.000 0.286 888 A C 0.055 177.622 177.584 -0.029 0.000 1.632 888 A CA 0.082 52.099 52.037 -0.033 0.000 1.339 888 A CB -0.430 18.550 19.000 -0.033 0.000 1.136 888 A HN 0.358 nan 8.150 nan 0.000 0.577 889 K N 0.000 120.384 120.400 -0.026 0.000 2.780 889 K HA 0.000 4.321 4.320 0.001 0.000 0.191 889 K CA 0.000 56.274 56.287 -0.022 0.000 0.838 889 K CB 0.000 32.482 32.500 -0.029 0.000 1.064 889 K HN 0.000 nan 8.250 nan 0.000 0.543