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 3p5p_1_A DATA FIRST_RESID 111 DATA SEQUENCE TYQERADELV VKIKDMFNAL GDGDISPSAY DTAWVARLAT ISSDGSEKPR DATA SEQUENCE FPQALNWVFN NQLQDGSWGI ESHFSLCDRL LNTTNSVIAL SVWKTGHSQV DATA SEQUENCE QQGAEFIAEN LRLLNEEDEL SPDFQIIFPA LLQKAKALGI NLPYDLPFIK DATA SEQUENCE YLSTTREARL TDVSAAADNI PANMLNALEG LEEVIDWNKI MRFQSKDGSF DATA SEQUENCE LSSPASTACV LMNTGDEKCF TFLNNLLDKF GGCVPCMYSI DLLERLSLVD DATA SEQUENCE NIEHLGIGRH FKQEIKGALD YVYRHWSERG IGWGRDSLVP DLNTTALGLR DATA SEQUENCE TLRMHGYNVS SDVLNNFKDE NGRFFSSAGQ THVELRSVVN LFRASDLAFP DATA SEQUENCE DERAMDDARK FAEPYLREAL ATKISTNTKL FKEIEYVVEY PWHMSIPRLE DATA SEQUENCE ARSYIDSYDD NYVWQRKTLY RMPSLSNSKC LELAKLDFNI VQSLHQEELK DATA SEQUENCE LLTRWWKESG MADINFTRHR VAEVYFSSAT FEPEYSATRI AFTKIGCLQV DATA SEQUENCE LFDDMADIFA TLDELKSFTE GVKRWDTSLL HEIPECMQTC FKVWFKLMEE DATA SEQUENCE VNNDVVKVQG RDMLAHIRKP WELYFNCYVQ EREWLEAGYI PTFEEYLKTY DATA SEQUENCE AISVGLGPCT LQPILLMGEL VKDDVVEKVH YPSNMFELVS LSWRLTNDTK DATA SEQUENCE TYQAEKARGQ QASGIACYMK DNPGATEEDA IKHICRVVDR ALKEASFEYF DATA SEQUENCE KPSNDIPMGC KSFIFNLRLC VQIFYKFXXX XXXXNEEIKD YIRKVYIDPI DATA SEQUENCE QV 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 111 T HA 0.000 nan 4.350 nan 0.000 0.228 111 T C 0.000 174.811 174.700 0.185 0.000 1.109 111 T CA 0.000 62.135 62.100 0.058 0.000 1.349 111 T CB 0.000 68.879 68.868 0.019 0.000 0.612 112 Y N 1.216 121.531 120.300 0.023 0.000 2.128 112 Y HA -0.108 4.446 4.550 0.008 0.000 0.284 112 Y C 2.590 178.502 175.900 0.020 0.000 1.154 112 Y CA 1.952 60.068 58.100 0.027 0.000 1.149 112 Y CB -0.692 37.789 38.460 0.035 0.000 0.976 112 Y HN 0.633 nan 8.280 nan 0.000 0.505 113 Q N 0.567 120.482 119.800 0.191 0.000 2.124 113 Q HA -0.167 4.192 4.340 0.031 0.000 0.202 113 Q C 1.867 177.905 176.000 0.063 0.000 0.977 113 Q CA 1.884 57.747 55.803 0.100 0.000 0.850 113 Q CB -0.169 28.611 28.738 0.071 0.000 0.901 113 Q HN 0.562 nan 8.270 nan 0.000 0.429 114 E N -0.665 119.576 120.200 0.069 0.000 2.072 114 E HA -0.136 4.232 4.350 0.031 0.000 0.190 114 E C 2.110 178.738 176.600 0.046 0.000 0.982 114 E CA 0.988 57.417 56.400 0.048 0.000 0.803 114 E CB -0.032 29.696 29.700 0.046 0.000 0.755 114 E HN 0.290 nan 8.360 nan 0.000 0.453 115 R N 0.739 121.279 120.500 0.067 0.000 2.075 115 R HA -0.060 4.298 4.340 0.031 0.000 0.232 115 R C 2.409 178.725 176.300 0.027 0.000 1.126 115 R CA 1.170 57.301 56.100 0.053 0.000 0.963 115 R CB -0.367 29.974 30.300 0.069 0.000 0.858 115 R HN 0.098 nan 8.270 nan 0.000 0.435 116 A N 1.631 124.462 122.820 0.019 0.000 1.883 116 A HA -0.218 4.121 4.320 0.031 0.000 0.217 116 A C 1.541 179.096 177.584 -0.048 0.000 1.186 116 A CA 1.930 53.954 52.037 -0.022 0.000 0.624 116 A CB -0.486 18.495 19.000 -0.031 0.000 0.822 116 A HN 0.168 nan 8.150 nan 0.000 0.444 117 D N -0.157 120.223 120.400 -0.032 0.000 2.123 117 D HA -0.180 4.479 4.640 0.031 0.000 0.196 117 D C 2.064 178.357 176.300 -0.012 0.000 0.992 117 D CA 1.715 55.691 54.000 -0.039 0.000 0.833 117 D CB -0.399 40.393 40.800 -0.015 0.000 0.954 117 D HN 0.877 nan 8.370 nan 0.000 0.455 118 E N 0.399 120.605 120.200 0.011 0.000 2.158 118 E HA -0.071 4.297 4.350 0.031 0.000 0.191 118 E C 2.219 178.846 176.600 0.044 0.000 0.982 118 E CA 0.383 56.799 56.400 0.028 0.000 0.823 118 E CB -0.480 29.238 29.700 0.031 0.000 0.766 118 E HN 0.233 nan 8.360 nan 0.000 0.468 119 L N 1.079 122.328 121.223 0.042 0.000 2.093 119 L HA -0.133 4.226 4.340 0.031 0.000 0.208 119 L C 2.524 179.471 176.870 0.129 0.000 1.085 119 L CA 0.595 55.477 54.840 0.071 0.000 0.755 119 L CB -0.251 41.842 42.059 0.058 0.000 0.904 119 L HN 0.083 nan 8.230 nan 0.000 0.435 120 V N -0.709 119.257 119.914 0.087 0.000 2.343 120 V HA -0.258 3.880 4.120 0.031 0.000 0.247 120 V C 2.427 178.638 176.094 0.196 0.000 1.051 120 V CA 1.548 63.926 62.300 0.131 0.000 1.036 120 V CB -0.202 31.528 31.823 -0.155 0.000 0.654 120 V HN 0.190 nan 8.190 nan 0.000 0.451 121 V N -0.490 119.486 119.914 0.104 0.000 2.287 121 V HA -0.268 3.871 4.120 0.031 0.000 0.248 121 V C 2.532 178.707 176.094 0.134 0.000 1.053 121 V CA 1.984 64.348 62.300 0.107 0.000 1.027 121 V CB -0.662 31.199 31.823 0.064 0.000 0.646 121 V HN 0.434 nan 8.190 nan 0.000 0.447 122 K N -0.049 120.422 120.400 0.119 0.000 2.097 122 K HA -0.021 4.317 4.320 0.031 0.000 0.206 122 K C 1.799 178.472 176.600 0.122 0.000 1.049 122 K CA 1.446 57.794 56.287 0.102 0.000 0.933 122 K CB -0.506 32.040 32.500 0.077 0.000 0.717 122 K HN 0.451 nan 8.250 nan 0.000 0.442 123 I N 0.293 120.972 120.570 0.183 0.000 2.353 123 I HA -0.232 3.957 4.170 0.031 0.000 0.248 123 I C 1.866 178.151 176.117 0.279 0.000 1.119 123 I CA 0.994 62.387 61.300 0.154 0.000 1.417 123 I CB -0.107 37.953 38.000 0.100 0.000 1.078 123 I HN 0.092 nan 8.210 nan 0.000 0.421 124 K N 0.689 121.337 120.400 0.414 0.000 2.103 124 K HA -0.201 4.138 4.320 0.031 0.000 0.207 124 K C 1.651 178.409 176.600 0.262 0.000 1.048 124 K CA 1.567 58.091 56.287 0.394 0.000 0.930 124 K CB -0.199 32.480 32.500 0.298 0.000 0.716 124 K HN 0.269 nan 8.250 nan 0.000 0.444 125 D N 0.810 121.315 120.400 0.175 0.000 2.123 125 D HA -0.201 4.457 4.640 0.031 0.000 0.196 125 D C 1.788 178.143 176.300 0.091 0.000 0.992 125 D CA 1.140 55.208 54.000 0.113 0.000 0.833 125 D CB -0.132 40.716 40.800 0.080 0.000 0.954 125 D HN 0.177 nan 8.370 nan 0.000 0.455 126 M N -0.508 119.131 119.600 0.064 0.000 2.080 126 M HA -0.222 4.276 4.480 0.031 0.000 0.260 126 M C 1.933 178.207 176.300 -0.043 0.000 1.068 126 M CA 1.454 56.738 55.300 -0.027 0.000 1.109 126 M CB -0.179 32.358 32.600 -0.105 0.000 1.342 126 M HN -0.115 nan 8.290 nan 0.000 0.405 127 F N 1.133 121.070 119.950 -0.022 0.000 2.095 127 F HA -0.269 4.276 4.527 0.029 0.000 0.298 127 F C 2.195 177.988 175.800 -0.012 0.000 1.104 127 F CA 1.760 59.745 58.000 -0.024 0.000 1.232 127 F CB -0.836 38.165 39.000 0.002 0.000 0.987 127 F HN 0.317 nan 8.300 nan 0.000 0.475 128 N N -0.158 118.667 118.700 0.208 0.000 2.309 128 N HA -0.078 4.681 4.740 0.031 0.000 0.182 128 N C 1.622 177.170 175.510 0.065 0.000 1.018 128 N CA 1.170 54.293 53.050 0.122 0.000 0.876 128 N CB -0.464 38.085 38.487 0.103 0.000 0.972 128 N HN 0.257 nan 8.380 nan 0.000 0.434 129 A N 0.228 123.072 122.820 0.040 0.000 2.308 129 A HA 0.234 4.572 4.320 0.031 0.000 0.217 129 A C 0.690 178.256 177.584 -0.029 0.000 1.216 129 A CA -0.337 51.702 52.037 0.004 0.000 0.864 129 A CB -0.117 18.881 19.000 -0.002 0.000 0.902 129 A HN 0.123 nan 8.150 nan 0.000 0.499 130 L N 0.152 121.349 121.223 -0.043 0.000 2.540 130 L HA 0.276 4.635 4.340 0.031 0.000 0.276 130 L C 1.209 178.011 176.870 -0.114 0.000 1.212 130 L CA 0.377 55.157 54.840 -0.100 0.000 0.893 130 L CB 0.641 42.624 42.059 -0.127 0.000 1.138 130 L HN 0.405 nan 8.230 nan 0.000 0.491 131 G N 1.255 109.983 108.800 -0.119 0.000 3.418 131 G HA2 0.088 4.067 3.960 0.031 0.000 0.179 131 G HA3 0.088 4.067 3.960 0.031 0.000 0.179 131 G C -0.006 174.821 174.900 -0.121 0.000 1.212 131 G CA -0.120 44.920 45.100 -0.100 0.000 0.935 131 G HN 0.468 nan 8.290 nan 0.000 0.716 132 D N 0.757 121.120 120.400 -0.061 0.000 2.355 132 D HA 0.380 5.039 4.640 0.031 0.000 0.218 132 D C 1.036 177.168 176.300 -0.281 0.000 1.004 132 D CA 1.418 55.318 54.000 -0.166 0.000 0.880 132 D CB 0.632 41.379 40.800 -0.089 0.000 0.911 132 D HN 0.905 nan 8.370 nan 0.000 0.528 133 G N 0.644 109.413 108.800 -0.051 0.000 2.627 133 G HA2 -0.043 3.936 3.960 0.031 0.000 0.680 133 G HA3 -0.043 3.936 3.960 0.031 0.000 0.680 133 G C -1.621 173.384 174.900 0.174 0.000 1.341 133 G CA -0.969 44.137 45.100 0.010 0.000 0.835 133 G HN -0.029 nan 8.290 nan 0.000 0.643 134 D N 0.507 120.955 120.400 0.081 0.000 2.329 134 D HA 0.701 5.359 4.640 0.031 0.000 0.232 134 D C 0.007 176.386 176.300 0.132 0.000 1.088 134 D CA -0.109 53.939 54.000 0.080 0.000 0.835 134 D CB 1.047 41.857 40.800 0.017 0.000 1.078 134 D HN 0.730 nan 8.370 nan 0.000 0.495 135 I N 1.690 122.393 120.570 0.220 0.000 2.841 135 I HA 0.312 4.501 4.170 0.031 0.000 0.298 135 I C -0.543 175.724 176.117 0.249 0.000 1.304 135 I CA -0.552 60.881 61.300 0.222 0.000 1.019 135 I CB 1.880 40.001 38.000 0.202 0.000 1.282 135 I HN 0.390 nan 8.210 nan 0.000 0.432 136 S N 5.470 121.287 115.700 0.194 0.000 2.593 136 S HA 0.515 5.004 4.470 0.031 0.000 0.269 136 S C -2.609 172.043 174.600 0.087 0.000 1.334 136 S CA -0.910 57.392 58.200 0.172 0.000 1.015 136 S CB 0.444 63.748 63.200 0.173 0.000 0.912 136 S HN 0.403 nan 8.310 nan 0.000 0.541 137 P HA 0.218 nan 4.420 nan 0.000 0.269 137 P C -0.744 176.484 177.300 -0.120 0.000 1.209 137 P CA -0.199 62.819 63.100 -0.136 0.000 0.776 137 P CB 0.568 32.229 31.700 -0.064 0.000 0.876 138 S N 1.668 117.202 115.700 -0.276 0.000 2.474 138 S HA 0.522 5.011 4.470 0.031 0.000 0.321 138 S C 1.148 175.660 174.600 -0.147 0.000 1.080 138 S CA -0.261 57.870 58.200 -0.115 0.000 1.106 138 S CB 0.341 63.484 63.200 -0.096 0.000 0.984 138 S HN 0.398 nan 8.310 nan 0.000 0.464 139 A N 4.860 127.747 122.820 0.111 0.000 1.902 139 A HA -0.036 4.302 4.320 0.031 0.000 0.217 139 A C 1.713 179.371 177.584 0.123 0.000 1.181 139 A CA 1.636 53.821 52.037 0.246 0.000 0.623 139 A CB -1.256 18.031 19.000 0.479 0.000 0.818 139 A HN 1.057 nan 8.150 nan 0.000 0.443 140 Y N 1.046 121.376 120.300 0.050 0.000 2.128 140 Y HA -0.280 4.288 4.550 0.031 0.000 0.284 140 Y C 1.857 177.804 175.900 0.078 0.000 1.154 140 Y CA 2.378 60.516 58.100 0.064 0.000 1.149 140 Y CB -0.319 38.202 38.460 0.100 0.000 0.976 140 Y HN 0.441 nan 8.280 nan 0.000 0.505 141 D N -0.962 119.417 120.400 -0.036 0.000 2.123 141 D HA -0.133 4.525 4.640 0.031 0.000 0.200 141 D C 2.065 178.280 176.300 -0.141 0.000 0.976 141 D CA 1.968 55.889 54.000 -0.133 0.000 0.831 141 D CB -0.212 40.529 40.800 -0.098 0.000 0.974 141 D HN 0.303 nan 8.370 nan 0.000 0.469 142 T N 0.159 114.590 114.554 -0.205 0.000 2.788 142 T HA -0.144 4.224 4.350 0.031 0.000 0.268 142 T C 2.037 176.697 174.700 -0.066 0.000 1.044 142 T CA 1.221 63.190 62.100 -0.219 0.000 1.139 142 T CB -0.328 68.269 68.868 -0.450 0.000 0.867 142 T HN 0.184 nan 8.240 nan 0.000 0.454 143 A N 0.044 122.823 122.820 -0.068 0.000 1.930 143 A HA -0.059 4.280 4.320 0.031 0.000 0.217 143 A C 2.069 179.600 177.584 -0.088 0.000 1.175 143 A CA 1.031 53.016 52.037 -0.087 0.000 0.627 143 A CB -1.032 17.854 19.000 -0.189 0.000 0.815 143 A HN 0.674 nan 8.150 nan 0.000 0.443 144 W N -0.049 121.120 121.300 -0.217 0.000 2.381 144 W HA -0.150 4.528 4.660 0.031 0.000 0.301 144 W C 2.225 178.708 176.519 -0.059 0.000 1.205 144 W CA 1.640 58.875 57.345 -0.183 0.000 1.285 144 W CB -0.027 29.254 29.460 -0.299 0.000 1.133 144 W HN 0.141 nan 8.180 nan 0.000 0.521 145 V N 0.420 120.470 119.914 0.227 0.000 2.407 145 V HA -0.311 3.828 4.120 0.031 0.000 0.248 145 V C 2.209 178.467 176.094 0.273 0.000 1.055 145 V CA 1.883 64.302 62.300 0.198 0.000 1.049 145 V CB -1.473 30.334 31.823 -0.026 0.000 0.662 145 V HN 0.288 nan 8.190 nan 0.000 0.455 146 A N -0.279 122.657 122.820 0.193 0.000 2.121 146 A HA -0.150 4.188 4.320 0.031 0.000 0.218 146 A C 2.318 180.123 177.584 0.368 0.000 1.154 146 A CA 1.213 53.391 52.037 0.235 0.000 0.679 146 A CB -0.424 18.682 19.000 0.177 0.000 0.795 146 A HN 0.531 nan 8.150 nan 0.000 0.458 147 R N -0.801 119.853 120.500 0.256 0.000 2.193 147 R HA 0.174 4.533 4.340 0.031 0.000 0.213 147 R C -0.072 176.431 176.300 0.338 0.000 1.055 147 R CA -0.072 56.144 56.100 0.192 0.000 0.995 147 R CB -0.336 29.844 30.300 -0.201 0.000 0.893 147 R HN 0.411 nan 8.270 nan 0.000 0.459 148 L N 1.370 122.818 121.223 0.375 0.000 2.490 148 L HA 0.045 4.403 4.340 0.031 0.000 0.274 148 L C 0.286 177.372 176.870 0.362 0.000 1.201 148 L CA -0.309 54.728 54.840 0.329 0.000 0.869 148 L CB 0.566 42.824 42.059 0.332 0.000 1.123 148 L HN 0.124 nan 8.230 nan 0.000 0.484 149 A N 2.921 125.915 122.820 0.289 0.000 2.337 149 A HA 0.756 5.094 4.320 0.031 0.000 0.331 149 A C -0.285 177.347 177.584 0.081 0.000 1.137 149 A CA -0.389 51.835 52.037 0.312 0.000 0.807 149 A CB 1.842 21.055 19.000 0.356 0.000 1.250 149 A HN 0.601 nan 8.150 nan 0.000 0.468 150 T N 0.562 115.129 114.554 0.021 0.000 2.901 150 T HA 0.592 4.960 4.350 0.031 0.000 0.293 150 T C -1.123 173.566 174.700 -0.018 0.000 1.084 150 T CA -0.490 61.581 62.100 -0.050 0.000 1.008 150 T CB 0.609 69.397 68.868 -0.134 0.000 1.170 150 T HN 0.414 nan 8.240 nan 0.000 0.509 151 I N 3.281 123.830 120.570 -0.035 0.000 2.354 151 I HA 0.396 4.585 4.170 0.031 0.000 0.292 151 I C 0.920 177.015 176.117 -0.036 0.000 0.989 151 I CA -0.473 60.816 61.300 -0.019 0.000 1.188 151 I CB 1.241 39.230 38.000 -0.018 0.000 1.342 151 I HN 0.608 nan 8.210 nan 0.000 0.457 152 S N 3.138 118.821 115.700 -0.027 0.000 2.634 152 S HA 0.070 4.559 4.470 0.031 0.000 0.261 152 S C 1.452 176.036 174.600 -0.027 0.000 1.271 152 S CA -0.279 57.901 58.200 -0.033 0.000 0.985 152 S CB 0.916 64.099 63.200 -0.028 0.000 0.968 152 S HN 0.750 nan 8.310 nan 0.000 0.568 153 S N 1.216 116.899 115.700 -0.027 0.000 2.387 153 S HA -0.171 4.318 4.470 0.031 0.000 0.230 153 S C 1.367 175.957 174.600 -0.017 0.000 1.035 153 S CA 1.867 60.053 58.200 -0.023 0.000 1.014 153 S CB -0.644 62.543 63.200 -0.021 0.000 0.836 153 S HN 0.801 nan 8.310 nan 0.000 0.466 154 D N -1.110 119.283 120.400 -0.013 0.000 2.340 154 D HA 0.179 4.838 4.640 0.031 0.000 0.220 154 D C 1.362 177.659 176.300 -0.005 0.000 1.039 154 D CA 0.887 54.882 54.000 -0.008 0.000 0.866 154 D CB -0.346 40.451 40.800 -0.005 0.000 0.913 154 D HN 0.580 nan 8.370 nan 0.000 0.523 155 G N 0.965 109.762 108.800 -0.006 0.000 2.176 155 G HA2 -0.277 3.702 3.960 0.031 0.000 0.232 155 G HA3 -0.277 3.702 3.960 0.031 0.000 0.232 155 G C 0.342 175.247 174.900 0.008 0.000 0.986 155 G CA 0.260 45.359 45.100 -0.002 0.000 0.643 155 G HN 0.659 nan 8.290 nan 0.000 0.522 156 S N -0.144 115.563 115.700 0.012 0.000 2.584 156 S HA 0.632 5.120 4.470 0.031 0.000 0.273 156 S C 0.026 174.654 174.600 0.047 0.000 1.311 156 S CA -0.489 57.729 58.200 0.030 0.000 1.034 156 S CB 2.361 65.579 63.200 0.030 0.000 0.939 156 S HN 0.387 nan 8.310 nan 0.000 0.513 157 E N 1.391 121.648 120.200 0.094 0.000 2.354 157 E HA 0.324 4.692 4.350 0.031 0.000 0.269 157 E C -0.115 176.600 176.600 0.192 0.000 1.036 157 E CA -0.338 56.164 56.400 0.170 0.000 0.876 157 E CB 0.670 30.517 29.700 0.245 0.000 1.009 157 E HN 0.740 nan 8.360 nan 0.000 0.416 158 K N 1.743 122.179 120.400 0.059 0.000 2.533 158 K HA 0.524 4.863 4.320 0.031 0.000 0.272 158 K C -3.012 173.172 176.600 -0.694 0.000 0.985 158 K CA -2.224 53.879 56.287 -0.307 0.000 0.876 158 K CB 1.418 33.786 32.500 -0.220 0.000 1.452 158 K HN 0.060 nan 8.250 nan 0.000 0.439 159 P HA 0.041 nan 4.420 nan 0.000 0.264 159 P C -0.180 176.875 177.300 -0.408 0.000 1.193 159 P CA -0.136 62.380 63.100 -0.973 0.000 0.763 159 P CB 0.844 31.967 31.700 -0.962 0.000 0.810 160 R N 2.856 123.202 120.500 -0.256 0.000 2.092 160 R HA -0.002 4.357 4.340 0.031 0.000 0.231 160 R C 0.074 176.048 176.300 -0.543 0.000 1.119 160 R CA 1.342 57.205 56.100 -0.396 0.000 0.970 160 R CB -0.075 29.953 30.300 -0.453 0.000 0.864 160 R HN 0.363 nan 8.270 nan 0.000 0.440 161 F N 0.814 120.757 119.950 -0.011 0.000 2.449 161 F HA 0.373 4.918 4.527 0.031 0.000 0.344 161 F C -1.726 174.038 175.800 -0.059 0.000 1.180 161 F CA -2.850 55.143 58.000 -0.011 0.000 1.209 161 F CB 1.863 40.872 39.000 0.015 0.000 1.440 161 F HN -0.045 nan 8.300 nan 0.000 0.526 162 P HA -0.242 nan 4.420 nan 0.000 0.219 162 P C 1.460 178.776 177.300 0.028 0.000 1.146 162 P CA 1.387 64.454 63.100 -0.055 0.000 0.808 162 P CB 0.214 31.856 31.700 -0.096 0.000 0.779 163 Q N 0.384 120.234 119.800 0.083 0.000 2.124 163 Q HA -0.134 4.224 4.340 0.031 0.000 0.202 163 Q C 2.064 178.148 176.000 0.141 0.000 0.977 163 Q CA 2.086 57.947 55.803 0.098 0.000 0.850 163 Q CB -1.399 27.392 28.738 0.088 0.000 0.901 163 Q HN 0.175 nan 8.270 nan 0.000 0.429 164 A N 1.406 124.306 122.820 0.133 0.000 1.898 164 A HA -0.070 4.268 4.320 0.031 0.000 0.216 164 A C 2.179 179.891 177.584 0.212 0.000 1.181 164 A CA 1.213 53.332 52.037 0.135 0.000 0.620 164 A CB -0.621 18.420 19.000 0.069 0.000 0.819 164 A HN 0.335 nan 8.150 nan 0.000 0.442 165 L N 0.485 121.805 121.223 0.163 0.000 2.046 165 L HA -0.157 4.201 4.340 0.031 0.000 0.208 165 L C 1.937 178.944 176.870 0.229 0.000 1.077 165 L CA 2.493 57.438 54.840 0.174 0.000 0.747 165 L CB -0.819 41.277 42.059 0.062 0.000 0.896 165 L HN 0.434 nan 8.230 nan 0.000 0.432 166 N N -1.359 117.441 118.700 0.167 0.000 2.244 166 N HA -0.266 4.493 4.740 0.031 0.000 0.183 166 N C 1.635 177.306 175.510 0.267 0.000 1.016 166 N CA 1.424 54.566 53.050 0.153 0.000 0.866 166 N CB -0.436 38.077 38.487 0.044 0.000 0.980 166 N HN 0.573 nan 8.380 nan 0.000 0.430 167 W N 0.378 121.755 121.300 0.129 0.000 2.355 167 W HA -0.154 4.524 4.660 0.030 0.000 0.309 167 W C 1.951 178.606 176.519 0.227 0.000 1.206 167 W CA 1.312 58.746 57.345 0.147 0.000 1.284 167 W CB -0.399 29.118 29.460 0.094 0.000 1.145 167 W HN -0.153 nan 8.180 nan 0.000 0.502 168 V N 0.660 120.902 119.914 0.546 0.000 2.287 168 V HA -0.340 3.798 4.120 0.031 0.000 0.248 168 V C 2.041 178.394 176.094 0.433 0.000 1.053 168 V CA 2.112 64.673 62.300 0.434 0.000 1.027 168 V CB -1.355 30.600 31.823 0.220 0.000 0.646 168 V HN 0.262 nan 8.190 nan 0.000 0.447 169 F N 1.540 121.612 119.950 0.203 0.000 2.120 169 F HA -0.199 4.346 4.527 0.031 0.000 0.300 169 F C 2.111 177.960 175.800 0.083 0.000 1.095 169 F CA 1.904 60.005 58.000 0.167 0.000 1.249 169 F CB -0.117 38.950 39.000 0.111 0.000 0.995 169 F HN 0.218 nan 8.300 nan 0.000 0.480 170 N N -0.259 118.576 118.700 0.224 0.000 2.280 170 N HA 0.019 4.778 4.740 0.031 0.000 0.192 170 N C 0.090 175.466 175.510 -0.223 0.000 1.109 170 N CA 0.311 53.378 53.050 0.028 0.000 0.855 170 N CB -0.128 38.376 38.487 0.027 0.000 0.974 170 N HN 0.411 nan 8.380 nan 0.000 0.482 171 N N 0.623 119.131 118.700 -0.321 0.000 2.291 171 N HA 0.007 4.766 4.740 0.031 0.000 0.244 171 N C -0.250 174.918 175.510 -0.569 0.000 1.216 171 N CA -0.056 52.681 53.050 -0.522 0.000 0.879 171 N CB 1.330 39.111 38.487 -1.175 0.000 1.167 171 N HN 0.317 nan 8.380 nan 0.000 0.515 172 Q N 1.264 120.605 119.800 -0.765 0.000 2.364 172 Q HA 0.204 4.562 4.340 0.031 0.000 0.267 172 Q C -0.173 175.381 176.000 -0.743 0.000 0.999 172 Q CA 0.064 55.042 55.803 -1.375 0.000 0.886 172 Q CB 0.884 28.845 28.738 -1.295 0.000 1.243 172 Q HN 0.238 nan 8.270 nan 0.000 0.415 173 L N 2.642 123.467 121.223 -0.664 0.000 2.468 173 L HA 0.067 4.425 4.340 0.031 0.000 0.254 173 L C 1.596 178.289 176.870 -0.295 0.000 1.171 173 L CA -0.171 54.455 54.840 -0.358 0.000 0.809 173 L CB 0.417 42.328 42.059 -0.247 0.000 1.155 173 L HN 0.845 nan 8.230 nan 0.000 0.473 174 Q N 0.730 120.424 119.800 -0.177 0.000 2.181 174 Q HA -0.222 4.136 4.340 0.031 0.000 0.205 174 Q C 0.978 176.920 176.000 -0.097 0.000 0.980 174 Q CA 2.026 57.754 55.803 -0.126 0.000 0.862 174 Q CB 0.104 28.795 28.738 -0.078 0.000 0.905 174 Q HN 0.821 nan 8.270 nan 0.000 0.429 175 D N -2.125 118.233 120.400 -0.069 0.000 2.349 175 D HA 0.064 4.722 4.640 0.031 0.000 0.224 175 D C 1.088 177.408 176.300 0.034 0.000 1.029 175 D CA 0.883 54.902 54.000 0.032 0.000 0.879 175 D CB 0.198 41.091 40.800 0.156 0.000 0.906 175 D HN 0.438 nan 8.370 nan 0.000 0.528 176 G N -0.018 108.690 108.800 -0.153 0.000 2.213 176 G HA2 -0.276 3.703 3.960 0.031 0.000 0.236 176 G HA3 -0.276 3.703 3.960 0.031 0.000 0.236 176 G C 0.468 175.141 174.900 -0.378 0.000 0.991 176 G CA 0.345 45.330 45.100 -0.191 0.000 0.629 176 G HN 0.825 nan 8.290 nan 0.000 0.517 177 S N -0.484 114.854 115.700 -0.604 0.000 2.669 177 S HA 0.722 5.210 4.470 0.031 0.000 0.270 177 S C 0.083 174.449 174.600 -0.389 0.000 1.225 177 S CA -0.466 57.308 58.200 -0.710 0.000 0.991 177 S CB 1.448 63.834 63.200 -1.357 0.000 0.987 177 S HN 0.478 nan 8.310 nan 0.000 0.552 178 W N -0.231 120.937 121.300 -0.220 0.000 2.706 178 W HA 0.604 5.282 4.660 0.031 0.000 0.346 178 W C 0.494 176.991 176.519 -0.037 0.000 1.071 178 W CA -0.225 57.078 57.345 -0.070 0.000 1.206 178 W CB 2.045 31.530 29.460 0.042 0.000 1.413 178 W HN 1.283 nan 8.180 nan 0.000 0.542 179 G N 0.453 109.403 108.800 0.251 0.000 2.339 179 G HA2 0.094 4.073 3.960 0.031 0.000 0.275 179 G HA3 0.094 4.073 3.960 0.031 0.000 0.275 179 G C -1.990 173.003 174.900 0.156 0.000 1.323 179 G CA -1.182 44.024 45.100 0.177 0.000 0.927 179 G HN 0.338 nan 8.290 nan 0.000 0.486 180 I N 1.369 122.015 120.570 0.126 0.000 2.312 180 I HA 0.254 4.442 4.170 0.031 0.000 0.291 180 I C 1.485 177.680 176.117 0.129 0.000 1.031 180 I CA -0.307 61.077 61.300 0.139 0.000 1.293 180 I CB 1.660 39.742 38.000 0.137 0.000 1.403 180 I HN 0.775 nan 8.210 nan 0.000 0.484 181 E N 4.188 124.450 120.200 0.103 0.000 2.049 181 E HA -0.236 4.132 4.350 0.031 0.000 0.198 181 E C 1.927 178.570 176.600 0.071 0.000 1.007 181 E CA 2.317 58.761 56.400 0.072 0.000 0.809 181 E CB 0.058 29.779 29.700 0.035 0.000 0.749 181 E HN 0.676 nan 8.360 nan 0.000 0.450 182 S N -1.574 114.155 115.700 0.050 0.000 2.603 182 S HA -0.009 4.479 4.470 0.031 0.000 0.220 182 S C -0.062 174.387 174.600 -0.253 0.000 0.967 182 S CA 0.104 58.255 58.200 -0.082 0.000 0.920 182 S CB -0.357 62.773 63.200 -0.117 0.000 0.773 182 S HN 0.326 nan 8.310 nan 0.000 0.529 183 H N 0.252 119.350 119.070 0.047 0.000 2.448 183 H HA 0.407 4.981 4.556 0.030 0.000 0.237 183 H C -1.197 174.170 175.328 0.065 0.000 1.391 183 H CA -0.782 55.282 56.048 0.027 0.000 1.477 183 H CB 0.078 29.815 29.762 -0.042 0.000 1.520 183 H HN 0.340 nan 8.280 nan 0.000 0.502 184 F N 2.027 122.003 119.950 0.043 0.000 2.443 184 F HA 0.437 4.982 4.527 0.030 0.000 0.353 184 F C 0.168 175.991 175.800 0.039 0.000 1.101 184 F CA 0.271 58.301 58.000 0.051 0.000 1.226 184 F CB 0.776 39.801 39.000 0.041 0.000 1.140 184 F HN 0.296 nan 8.300 nan 0.000 0.557 185 S N 6.111 121.528 115.700 -0.470 0.000 2.566 185 S HA 0.305 4.794 4.470 0.031 0.000 0.273 185 S C 0.157 174.438 174.600 -0.533 0.000 1.157 185 S CA -0.835 57.193 58.200 -0.288 0.000 0.938 185 S CB 1.185 64.294 63.200 -0.151 0.000 1.087 185 S HN 0.834 nan 8.310 nan 0.000 0.474 186 L N 4.394 125.451 121.223 -0.276 0.000 2.012 186 L HA 0.015 4.374 4.340 0.031 0.000 0.210 186 L C 2.323 179.053 176.870 -0.234 0.000 1.073 186 L CA 2.361 57.078 54.840 -0.203 0.000 0.748 186 L CB -0.912 41.119 42.059 -0.047 0.000 0.891 186 L HN 0.877 nan 8.230 nan 0.000 0.431 187 C N -0.364 118.748 119.300 -0.314 0.000 2.432 187 C HA -0.155 4.324 4.460 0.031 0.000 0.277 187 C C 2.512 177.451 174.990 -0.086 0.000 1.249 187 C CA 0.918 59.701 59.018 -0.392 0.000 1.725 187 C CB -1.080 26.269 27.740 -0.652 0.000 2.028 187 C HN 0.740 nan 8.230 nan 0.000 0.477 188 D N 0.268 120.598 120.400 -0.117 0.000 2.106 188 D HA -0.171 4.488 4.640 0.031 0.000 0.191 188 D C 2.402 178.689 176.300 -0.023 0.000 0.997 188 D CA 1.452 55.419 54.000 -0.055 0.000 0.834 188 D CB -0.041 40.708 40.800 -0.085 0.000 0.956 188 D HN 0.213 nan 8.370 nan 0.000 0.448 189 R N -0.059 120.373 120.500 -0.112 0.000 2.096 189 R HA -0.048 4.311 4.340 0.031 0.000 0.235 189 R C 2.571 178.965 176.300 0.157 0.000 1.127 189 R CA 0.528 56.605 56.100 -0.037 0.000 0.968 189 R CB -0.944 29.278 30.300 -0.131 0.000 0.861 189 R HN 0.394 nan 8.270 nan 0.000 0.440 190 L N 0.353 121.673 121.223 0.162 0.000 2.056 190 L HA -0.137 4.222 4.340 0.031 0.000 0.207 190 L C 2.445 179.492 176.870 0.296 0.000 1.078 190 L CA 1.002 55.968 54.840 0.210 0.000 0.749 190 L CB -0.382 41.613 42.059 -0.108 0.000 0.901 190 L HN 0.110 nan 8.230 nan 0.000 0.433 191 L N -0.565 120.789 121.223 0.219 0.000 2.027 191 L HA -0.187 4.172 4.340 0.031 0.000 0.206 191 L C 2.414 179.477 176.870 0.321 0.000 1.074 191 L CA 1.020 56.029 54.840 0.283 0.000 0.745 191 L CB -0.593 41.496 42.059 0.049 0.000 0.898 191 L HN 0.324 nan 8.230 nan 0.000 0.433 192 N N -0.510 118.339 118.700 0.249 0.000 2.084 192 N HA -0.149 4.610 4.740 0.031 0.000 0.190 192 N C 1.812 177.420 175.510 0.163 0.000 1.030 192 N CA 2.014 55.213 53.050 0.249 0.000 0.849 192 N CB -0.585 38.054 38.487 0.253 0.000 1.012 192 N HN 0.300 nan 8.380 nan 0.000 0.423 193 T N 0.377 115.071 114.554 0.233 0.000 2.770 193 T HA -0.050 4.319 4.350 0.031 0.000 0.263 193 T C 1.958 176.737 174.700 0.132 0.000 1.039 193 T CA 1.518 63.784 62.100 0.277 0.000 1.142 193 T CB -0.568 68.495 68.868 0.325 0.000 0.868 193 T HN 0.282 nan 8.240 nan 0.000 0.435 194 T N 2.264 116.950 114.554 0.220 0.000 2.708 194 T HA -0.118 4.250 4.350 0.031 0.000 0.266 194 T C 2.058 176.766 174.700 0.013 0.000 1.037 194 T CA 1.229 63.427 62.100 0.164 0.000 1.146 194 T CB -0.437 68.593 68.868 0.270 0.000 0.865 194 T HN 0.242 nan 8.240 nan 0.000 0.435 195 N N 0.698 119.411 118.700 0.021 0.000 2.188 195 N HA -0.026 4.732 4.740 0.031 0.000 0.184 195 N C 2.023 177.375 175.510 -0.263 0.000 1.018 195 N CA 0.958 53.934 53.050 -0.123 0.000 0.858 195 N CB -0.327 38.112 38.487 -0.079 0.000 0.989 195 N HN 0.211 nan 8.380 nan 0.000 0.426 196 S N -0.401 115.057 115.700 -0.403 0.000 2.356 196 S HA -0.122 4.366 4.470 0.031 0.000 0.223 196 S C 2.124 176.401 174.600 -0.539 0.000 1.032 196 S CA 1.396 59.146 58.200 -0.750 0.000 1.005 196 S CB -0.521 61.520 63.200 -1.931 0.000 0.867 196 S HN 0.438 nan 8.310 nan 0.000 0.449 197 V N 0.513 120.207 119.914 -0.367 0.000 2.490 197 V HA -0.090 4.048 4.120 0.031 0.000 0.250 197 V C 1.858 177.875 176.094 -0.129 0.000 1.061 197 V CA 1.421 63.636 62.300 -0.141 0.000 1.064 197 V CB -0.944 30.882 31.823 0.005 0.000 0.670 197 V HN 0.438 nan 8.190 nan 0.000 0.461 198 I N 1.214 121.687 120.570 -0.162 0.000 2.179 198 I HA -0.165 4.023 4.170 0.031 0.000 0.242 198 I C 3.009 179.004 176.117 -0.204 0.000 1.088 198 I CA 1.748 62.935 61.300 -0.188 0.000 1.357 198 I CB -0.721 37.136 38.000 -0.239 0.000 1.051 198 I HN 0.390 nan 8.210 nan 0.000 0.409 199 A N 1.002 123.704 122.820 -0.196 0.000 1.883 199 A HA -0.195 4.144 4.320 0.031 0.000 0.217 199 A C 2.280 179.879 177.584 0.025 0.000 1.186 199 A CA 1.626 53.608 52.037 -0.091 0.000 0.624 199 A CB -0.982 17.988 19.000 -0.049 0.000 0.822 199 A HN 0.397 nan 8.150 nan 0.000 0.444 200 L N -0.585 120.642 121.223 0.007 0.000 2.093 200 L HA -0.142 4.217 4.340 0.031 0.000 0.208 200 L C 2.825 179.703 176.870 0.014 0.000 1.085 200 L CA 1.381 56.271 54.840 0.084 0.000 0.755 200 L CB -0.438 41.659 42.059 0.064 0.000 0.904 200 L HN 0.312 nan 8.230 nan 0.000 0.435 201 S N -0.533 115.121 115.700 -0.076 0.000 2.368 201 S HA -0.133 4.356 4.470 0.031 0.000 0.224 201 S C 2.074 176.578 174.600 -0.161 0.000 1.029 201 S CA 1.006 59.134 58.200 -0.120 0.000 0.988 201 S CB -0.184 62.945 63.200 -0.118 0.000 0.838 201 S HN 0.140 nan 8.310 nan 0.000 0.462 202 V N -0.018 119.740 119.914 -0.260 0.000 2.392 202 V HA -0.179 3.960 4.120 0.031 0.000 0.249 202 V C 1.307 177.067 176.094 -0.557 0.000 1.059 202 V CA 1.441 63.443 62.300 -0.498 0.000 1.051 202 V CB -0.545 30.841 31.823 -0.729 0.000 0.658 202 V HN 0.671 nan 8.190 nan 0.000 0.455 203 W N -0.690 120.592 121.300 -0.031 0.000 3.325 203 W HA 0.338 5.017 4.660 0.031 0.000 0.370 203 W C 0.931 177.460 176.519 0.017 0.000 1.169 203 W CA -0.647 56.697 57.345 -0.002 0.000 1.874 203 W CB -0.224 29.245 29.460 0.015 0.000 1.076 203 W HN 0.051 nan 8.180 nan 0.000 0.684 204 K N 0.850 121.323 120.400 0.121 0.000 3.148 204 K HA -0.235 4.104 4.320 0.031 0.000 0.267 204 K C 0.016 176.718 176.600 0.170 0.000 0.996 204 K CA 0.909 57.249 56.287 0.088 0.000 0.737 204 K CB -1.533 31.050 32.500 0.138 0.000 1.308 204 K HN 0.140 nan 8.250 nan 0.000 0.470 205 T N -2.217 112.405 114.554 0.113 0.000 2.778 205 T HA 0.605 4.974 4.350 0.031 0.000 0.293 205 T C 0.156 174.969 174.700 0.189 0.000 1.144 205 T CA 0.387 62.648 62.100 0.268 0.000 1.010 205 T CB 1.748 70.821 68.868 0.341 0.000 1.325 205 T HN 0.771 nan 8.240 nan 0.000 0.515 206 G N 1.831 110.873 108.800 0.403 0.000 2.338 206 G HA2 -0.262 3.717 3.960 0.031 0.000 0.296 206 G HA3 -0.262 3.717 3.960 0.031 0.000 0.296 206 G C 0.387 175.325 174.900 0.062 0.000 1.040 206 G CA 1.387 46.557 45.100 0.117 0.000 1.004 206 G HN 0.946 nan 8.290 nan 0.000 0.509 207 H N 0.833 119.943 119.070 0.067 0.000 2.352 207 H HA -0.116 4.458 4.556 0.031 0.000 0.299 207 H C 2.898 178.240 175.328 0.023 0.000 1.097 207 H CA 2.423 58.502 56.048 0.051 0.000 1.311 207 H CB -0.202 29.593 29.762 0.056 0.000 1.377 207 H HN 0.663 nan 8.280 nan 0.000 0.504 208 S N 0.534 116.304 115.700 0.117 0.000 2.355 208 S HA -0.207 4.282 4.470 0.031 0.000 0.222 208 S C 1.970 176.572 174.600 0.004 0.000 1.031 208 S CA 1.156 59.381 58.200 0.042 0.000 0.993 208 S CB -0.278 62.925 63.200 0.005 0.000 0.859 208 S HN 0.374 nan 8.310 nan 0.000 0.453 209 Q N 1.279 121.054 119.800 -0.042 0.000 2.124 209 Q HA 0.043 4.402 4.340 0.031 0.000 0.202 209 Q C 2.339 178.415 176.000 0.128 0.000 0.977 209 Q CA 1.389 57.184 55.803 -0.012 0.000 0.850 209 Q CB -0.852 27.870 28.738 -0.026 0.000 0.901 209 Q HN 0.466 nan 8.270 nan 0.000 0.429 210 V N 0.513 120.490 119.914 0.105 0.000 2.343 210 V HA -0.318 3.820 4.120 0.031 0.000 0.247 210 V C 2.321 178.475 176.094 0.101 0.000 1.051 210 V CA 2.070 64.433 62.300 0.106 0.000 1.036 210 V CB -0.575 31.259 31.823 0.018 0.000 0.654 210 V HN 0.375 nan 8.190 nan 0.000 0.451 211 Q N 0.043 119.890 119.800 0.078 0.000 2.050 211 Q HA -0.268 4.090 4.340 0.031 0.000 0.202 211 Q C 2.315 178.363 176.000 0.080 0.000 0.980 211 Q CA 2.299 58.145 55.803 0.073 0.000 0.840 211 Q CB -0.372 28.404 28.738 0.062 0.000 0.898 211 Q HN 0.683 nan 8.270 nan 0.000 0.424 212 Q N -1.248 118.592 119.800 0.067 0.000 2.167 212 Q HA -0.094 4.265 4.340 0.031 0.000 0.202 212 Q C 1.845 177.921 176.000 0.126 0.000 0.970 212 Q CA 1.235 57.076 55.803 0.063 0.000 0.855 212 Q CB -0.354 28.382 28.738 -0.003 0.000 0.911 212 Q HN 0.573 nan 8.270 nan 0.000 0.438 213 G N 0.389 109.292 108.800 0.172 0.000 2.421 213 G HA2 -0.269 3.709 3.960 0.031 0.000 0.216 213 G HA3 -0.269 3.709 3.960 0.031 0.000 0.216 213 G C 1.434 176.502 174.900 0.280 0.000 1.171 213 G CA 0.880 46.160 45.100 0.300 0.000 0.775 213 G HN 0.474 nan 8.290 nan 0.000 0.543 214 A N 0.836 123.771 122.820 0.192 0.000 1.933 214 A HA -0.025 4.313 4.320 0.031 0.000 0.218 214 A C 2.156 179.822 177.584 0.136 0.000 1.175 214 A CA 1.986 54.109 52.037 0.144 0.000 0.628 214 A CB -0.397 18.657 19.000 0.090 0.000 0.814 214 A HN 0.471 nan 8.150 nan 0.000 0.444 215 E N -1.378 118.902 120.200 0.134 0.000 2.051 215 E HA -0.186 4.183 4.350 0.031 0.000 0.192 215 E C 1.749 178.432 176.600 0.139 0.000 0.991 215 E CA 1.376 57.841 56.400 0.108 0.000 0.799 215 E CB -0.295 29.460 29.700 0.091 0.000 0.748 215 E HN 0.709 nan 8.360 nan 0.000 0.449 216 F N 1.330 121.325 119.950 0.074 0.000 2.102 216 F HA -0.191 4.354 4.527 0.031 0.000 0.298 216 F C 1.953 177.821 175.800 0.113 0.000 1.105 216 F CA 1.383 59.440 58.000 0.095 0.000 1.239 216 F CB -0.103 38.968 39.000 0.118 0.000 0.991 216 F HN -0.091 nan 8.300 nan 0.000 0.474 217 I N 0.347 121.132 120.570 0.358 0.000 2.179 217 I HA -0.309 3.880 4.170 0.031 0.000 0.242 217 I C 2.746 178.910 176.117 0.078 0.000 1.088 217 I CA 1.296 62.754 61.300 0.263 0.000 1.357 217 I CB -1.065 37.107 38.000 0.288 0.000 1.051 217 I HN 0.239 nan 8.210 nan 0.000 0.409 218 A N 0.421 123.266 122.820 0.042 0.000 1.883 218 A HA -0.228 4.111 4.320 0.031 0.000 0.217 218 A C 2.260 179.821 177.584 -0.038 0.000 1.186 218 A CA 1.708 53.739 52.037 -0.010 0.000 0.624 218 A CB -0.543 18.449 19.000 -0.014 0.000 0.822 218 A HN 0.391 nan 8.150 nan 0.000 0.444 219 E N 0.151 120.305 120.200 -0.077 0.000 2.110 219 E HA -0.154 4.214 4.350 0.031 0.000 0.193 219 E C 1.482 177.990 176.600 -0.154 0.000 0.988 219 E CA 1.206 57.534 56.400 -0.120 0.000 0.804 219 E CB -0.385 29.221 29.700 -0.157 0.000 0.745 219 E HN 0.689 nan 8.360 nan 0.000 0.458 220 N N 0.256 118.822 118.700 -0.224 0.000 2.405 220 N HA 0.046 4.804 4.740 0.031 0.000 0.175 220 N C 2.021 177.509 175.510 -0.036 0.000 1.051 220 N CA 0.051 52.989 53.050 -0.187 0.000 0.899 220 N CB 0.293 38.567 38.487 -0.354 0.000 1.000 220 N HN 0.125 nan 8.380 nan 0.000 0.451 221 L N 1.008 122.247 121.223 0.025 0.000 2.131 221 L HA -0.079 4.279 4.340 0.031 0.000 0.210 221 L C 2.086 179.007 176.870 0.085 0.000 1.092 221 L CA 1.014 55.921 54.840 0.111 0.000 0.759 221 L CB -0.202 41.939 42.059 0.137 0.000 0.903 221 L HN 0.037 nan 8.230 nan 0.000 0.435 222 R N -0.231 120.286 120.500 0.028 0.000 2.339 222 R HA -0.011 4.348 4.340 0.031 0.000 0.199 222 R C 1.575 177.872 176.300 -0.006 0.000 1.018 222 R CA 0.587 56.696 56.100 0.016 0.000 1.036 222 R CB 0.029 30.324 30.300 -0.007 0.000 0.899 222 R HN 0.408 nan 8.270 nan 0.000 0.473 223 L N -0.198 121.016 121.223 -0.014 0.000 2.664 223 L HA 0.159 4.518 4.340 0.031 0.000 0.233 223 L C 0.052 176.890 176.870 -0.054 0.000 1.113 223 L CA -0.392 54.424 54.840 -0.039 0.000 0.896 223 L CB 0.316 42.350 42.059 -0.043 0.000 1.163 223 L HN 0.059 nan 8.230 nan 0.000 0.497 224 L N 2.675 123.890 121.223 -0.014 0.000 2.369 224 L HA 0.177 4.535 4.340 0.031 0.000 0.279 224 L C -0.052 176.668 176.870 -0.250 0.000 1.108 224 L CA 0.265 55.084 54.840 -0.035 0.000 0.852 224 L CB -0.011 42.162 42.059 0.190 0.000 1.169 224 L HN 0.266 nan 8.230 nan 0.000 0.452 225 N N 1.220 119.625 118.700 -0.492 0.000 2.577 225 N HA 0.349 5.107 4.740 0.031 0.000 0.285 225 N C 0.094 174.970 175.510 -1.057 0.000 1.309 225 N CA -0.809 51.785 53.050 -0.760 0.000 0.798 225 N CB 0.519 38.791 38.487 -0.359 0.000 1.463 225 N HN 0.289 nan 8.380 nan 0.000 0.518 226 E N -0.838 118.845 120.200 -0.861 0.000 2.472 226 E HA -0.135 4.234 4.350 0.031 0.000 0.200 226 E C 0.525 177.009 176.600 -0.194 0.000 1.046 226 E CA 1.015 57.141 56.400 -0.457 0.000 0.871 226 E CB -0.297 29.299 29.700 -0.173 0.000 0.806 226 E HN 0.866 nan 8.360 nan 0.000 0.533 227 E N 0.141 120.215 120.200 -0.211 0.000 2.473 227 E HA 0.036 4.405 4.350 0.031 0.000 0.204 227 E C -0.123 176.415 176.600 -0.103 0.000 0.994 227 E CA -0.259 56.072 56.400 -0.114 0.000 0.945 227 E CB 0.178 29.819 29.700 -0.098 0.000 0.990 227 E HN -0.024 nan 8.360 nan 0.000 0.493 228 D N 3.931 124.240 120.400 -0.152 0.000 2.458 228 D HA -0.042 4.617 4.640 0.031 0.000 0.243 228 D C 0.096 176.350 176.300 -0.078 0.000 1.146 228 D CA 0.395 54.322 54.000 -0.122 0.000 0.877 228 D CB 0.883 41.584 40.800 -0.165 0.000 1.176 228 D HN 0.277 nan 8.370 nan 0.000 0.461 229 E N 3.678 123.840 120.200 -0.063 0.000 2.265 229 E HA 0.039 4.408 4.350 0.031 0.000 0.272 229 E C -0.309 176.241 176.600 -0.083 0.000 1.067 229 E CA -0.118 56.258 56.400 -0.040 0.000 0.900 229 E CB 0.461 30.145 29.700 -0.026 0.000 1.017 229 E HN 0.344 nan 8.360 nan 0.000 0.431 230 L N 2.688 123.878 121.223 -0.056 0.000 2.350 230 L HA 0.177 4.536 4.340 0.031 0.000 0.275 230 L C 0.940 177.756 176.870 -0.090 0.000 1.099 230 L CA -0.820 53.936 54.840 -0.140 0.000 0.808 230 L CB 1.012 43.064 42.059 -0.012 0.000 1.149 230 L HN 0.614 nan 8.230 nan 0.000 0.442 231 S N 1.966 117.578 115.700 -0.146 0.000 2.600 231 S HA 0.310 4.798 4.470 0.031 0.000 0.265 231 S C -2.470 172.131 174.600 0.001 0.000 1.325 231 S CA -1.322 56.847 58.200 -0.052 0.000 1.002 231 S CB 0.292 63.465 63.200 -0.045 0.000 0.921 231 S HN 0.364 nan 8.310 nan 0.000 0.554 232 P HA 0.095 nan 4.420 nan 0.000 0.261 232 P C -0.137 177.117 177.300 -0.076 0.000 1.183 232 P CA 0.841 63.782 63.100 -0.266 0.000 0.761 232 P CB -0.043 31.274 31.700 -0.638 0.000 0.785 233 D N 0.790 121.179 120.400 -0.018 0.000 3.077 233 D HA -0.257 4.401 4.640 0.031 0.000 0.217 233 D C 0.710 177.067 176.300 0.096 0.000 1.162 233 D CA 0.690 54.719 54.000 0.048 0.000 0.943 233 D CB -1.568 39.256 40.800 0.041 0.000 1.122 233 D HN 0.415 nan 8.370 nan 0.000 0.413 234 F N 1.727 121.672 119.950 -0.008 0.000 2.161 234 F HA -0.272 4.274 4.527 0.031 0.000 0.300 234 F C 2.587 178.437 175.800 0.084 0.000 1.089 234 F CA 2.205 60.222 58.000 0.028 0.000 1.282 234 F CB 0.086 39.086 39.000 -0.000 0.000 1.010 234 F HN 0.061 nan 8.300 nan 0.000 0.485 235 Q N 0.390 120.315 119.800 0.208 0.000 2.437 235 Q HA -0.152 4.207 4.340 0.031 0.000 0.210 235 Q C 1.850 177.833 176.000 -0.028 0.000 0.972 235 Q CA 1.814 57.669 55.803 0.087 0.000 0.903 235 Q CB -0.654 28.126 28.738 0.070 0.000 0.967 235 Q HN 0.598 nan 8.270 nan 0.000 0.486 236 I N 0.599 121.156 120.570 -0.020 0.000 2.899 236 I HA -0.020 4.169 4.170 0.031 0.000 0.257 236 I C 2.395 178.490 176.117 -0.038 0.000 1.115 236 I CA 0.343 61.624 61.300 -0.032 0.000 1.451 236 I CB -0.051 37.945 38.000 -0.006 0.000 1.251 236 I HN 0.083 nan 8.210 nan 0.000 0.456 237 I N -1.794 118.758 120.570 -0.030 0.000 2.617 237 I HA -0.160 4.029 4.170 0.031 0.000 0.256 237 I C 2.504 178.606 176.117 -0.025 0.000 1.167 237 I CA 1.411 62.721 61.300 0.017 0.000 1.469 237 I CB -0.458 37.577 38.000 0.057 0.000 1.098 237 I HN 0.085 nan 8.210 nan 0.000 0.436 238 F N 3.154 122.860 119.950 -0.408 0.000 2.128 238 F HA 0.091 4.637 4.527 0.031 0.000 0.295 238 F C -0.579 175.076 175.800 -0.241 0.000 1.100 238 F CA 1.193 58.895 58.000 -0.496 0.000 1.260 238 F CB -0.996 37.251 39.000 -1.255 0.000 1.009 238 F HN 0.015 nan 8.300 nan 0.000 0.476 239 P HA -0.134 nan 4.420 nan 0.000 0.222 239 P C 1.241 178.400 177.300 -0.235 0.000 1.147 239 P CA 1.847 64.767 63.100 -0.299 0.000 0.790 239 P CB -0.302 31.299 31.700 -0.164 0.000 0.780 240 A N -0.323 122.405 122.820 -0.154 0.000 1.902 240 A HA -0.153 4.185 4.320 0.031 0.000 0.217 240 A C 2.167 179.688 177.584 -0.105 0.000 1.181 240 A CA 1.337 53.327 52.037 -0.079 0.000 0.623 240 A CB -1.574 17.438 19.000 0.020 0.000 0.818 240 A HN 0.124 nan 8.150 nan 0.000 0.443 241 L N -0.682 120.453 121.223 -0.146 0.000 2.046 241 L HA -0.163 4.196 4.340 0.031 0.000 0.208 241 L C 2.535 179.270 176.870 -0.225 0.000 1.077 241 L CA 0.966 55.708 54.840 -0.163 0.000 0.747 241 L CB -0.611 41.382 42.059 -0.110 0.000 0.896 241 L HN 0.367 nan 8.230 nan 0.000 0.432 242 L N -0.443 120.566 121.223 -0.357 0.000 2.083 242 L HA -0.252 4.106 4.340 0.031 0.000 0.209 242 L C 2.741 179.513 176.870 -0.162 0.000 1.083 242 L CA 1.283 56.009 54.840 -0.190 0.000 0.752 242 L CB -0.516 41.418 42.059 -0.209 0.000 0.899 242 L HN 0.401 nan 8.230 nan 0.000 0.433 243 Q N 0.605 120.286 119.800 -0.197 0.000 2.096 243 Q HA -0.289 4.070 4.340 0.031 0.000 0.204 243 Q C 2.198 178.086 176.000 -0.186 0.000 0.982 243 Q CA 1.915 57.596 55.803 -0.202 0.000 0.850 243 Q CB 0.080 28.731 28.738 -0.146 0.000 0.901 243 Q HN 0.159 nan 8.270 nan 0.000 0.422 244 K N 0.421 120.730 120.400 -0.153 0.000 2.025 244 K HA -0.067 4.271 4.320 0.031 0.000 0.207 244 K C 1.797 178.315 176.600 -0.137 0.000 1.049 244 K CA 1.566 57.763 56.287 -0.150 0.000 0.933 244 K CB -0.656 31.742 32.500 -0.171 0.000 0.714 244 K HN 0.298 nan 8.250 nan 0.000 0.438 245 A N 1.012 123.774 122.820 -0.098 0.000 1.908 245 A HA -0.214 4.124 4.320 0.031 0.000 0.218 245 A C 2.168 179.748 177.584 -0.007 0.000 1.181 245 A CA 2.031 54.062 52.037 -0.010 0.000 0.627 245 A CB -0.600 18.465 19.000 0.108 0.000 0.818 245 A HN 0.430 nan 8.150 nan 0.000 0.445 246 K N -0.431 119.857 120.400 -0.186 0.000 2.097 246 K HA -0.046 4.293 4.320 0.031 0.000 0.205 246 K C 2.095 178.572 176.600 -0.204 0.000 1.050 246 K CA 1.108 57.161 56.287 -0.391 0.000 0.938 246 K CB -0.292 31.676 32.500 -0.888 0.000 0.718 246 K HN 0.374 nan 8.250 nan 0.000 0.442 247 A N 1.014 123.728 122.820 -0.177 0.000 1.969 247 A HA -0.055 4.284 4.320 0.031 0.000 0.218 247 A C 1.897 179.420 177.584 -0.101 0.000 1.169 247 A CA 0.934 52.892 52.037 -0.130 0.000 0.635 247 A CB -0.356 18.569 19.000 -0.126 0.000 0.810 247 A HN 0.315 nan 8.150 nan 0.000 0.445 248 L N -1.028 120.138 121.223 -0.096 0.000 2.610 248 L HA 0.128 4.486 4.340 0.031 0.000 0.232 248 L C 1.626 178.469 176.870 -0.044 0.000 1.149 248 L CA 0.528 55.319 54.840 -0.082 0.000 0.872 248 L CB -0.295 41.706 42.059 -0.096 0.000 0.992 248 L HN 0.583 nan 8.230 nan 0.000 0.447 249 G N 0.910 109.694 108.800 -0.026 0.000 2.147 249 G HA2 -0.286 3.693 3.960 0.031 0.000 0.244 249 G HA3 -0.286 3.693 3.960 0.031 0.000 0.244 249 G C 0.205 175.136 174.900 0.052 0.000 1.005 249 G CA -0.222 44.884 45.100 0.009 0.000 0.713 249 G HN 0.306 nan 8.290 nan 0.000 0.515 250 I N 0.642 121.260 120.570 0.081 0.000 2.556 250 I HA 0.101 4.290 4.170 0.031 0.000 0.284 250 I C 0.719 176.937 176.117 0.168 0.000 1.114 250 I CA -0.567 60.797 61.300 0.106 0.000 1.418 250 I CB 0.745 38.804 38.000 0.098 0.000 1.394 250 I HN 0.128 nan 8.210 nan 0.000 0.552 251 N N 8.228 126.983 118.700 0.092 0.000 2.415 251 N HA 0.396 5.154 4.740 0.031 0.000 0.250 251 N C -1.278 174.200 175.510 -0.053 0.000 1.127 251 N CA 0.168 53.258 53.050 0.065 0.000 0.945 251 N CB 0.149 38.663 38.487 0.046 0.000 1.196 251 N HN 0.443 nan 8.380 nan 0.000 0.499 252 L N 3.459 124.526 121.223 -0.260 0.000 2.376 252 L HA 0.552 4.910 4.340 0.031 0.000 0.258 252 L C -2.112 174.426 176.870 -0.554 0.000 1.013 252 L CA -2.208 52.317 54.840 -0.525 0.000 0.822 252 L CB 2.513 44.045 42.059 -0.877 0.000 1.388 252 L HN 0.330 nan 8.230 nan 0.000 0.413 253 P HA 0.128 nan 4.420 nan 0.000 0.230 253 P C -0.066 177.176 177.300 -0.095 0.000 1.791 253 P CA -0.116 62.905 63.100 -0.132 0.000 1.020 253 P CB -0.305 31.367 31.700 -0.047 0.000 1.977 254 Y N -0.205 120.120 120.300 0.042 0.000 2.403 254 Y HA -0.141 4.428 4.550 0.031 0.000 0.291 254 Y C 1.649 177.572 175.900 0.039 0.000 1.143 254 Y CA 1.267 59.385 58.100 0.030 0.000 1.257 254 Y CB -0.580 37.878 38.460 -0.002 0.000 0.984 254 Y HN 0.181 nan 8.280 nan 0.000 0.550 255 D N -0.245 120.260 120.400 0.174 0.000 2.340 255 D HA 0.107 4.766 4.640 0.031 0.000 0.217 255 D C 0.259 176.624 176.300 0.108 0.000 1.081 255 D CA 0.108 54.183 54.000 0.126 0.000 0.842 255 D CB -0.023 40.839 40.800 0.103 0.000 0.934 255 D HN 0.218 nan 8.370 nan 0.000 0.511 256 L N 1.394 122.683 121.223 0.111 0.000 2.543 256 L HA -0.026 4.332 4.340 0.031 0.000 0.285 256 L C -0.931 176.029 176.870 0.149 0.000 1.236 256 L CA -0.929 53.981 54.840 0.118 0.000 0.871 256 L CB 0.362 42.497 42.059 0.126 0.000 1.121 256 L HN -0.176 nan 8.230 nan 0.000 0.501 257 P HA -0.246 nan 4.420 nan 0.000 0.214 257 P C 1.379 178.825 177.300 0.244 0.000 1.163 257 P CA 1.455 64.653 63.100 0.164 0.000 0.889 257 P CB 0.054 31.836 31.700 0.137 0.000 0.790 258 F N -0.342 119.687 119.950 0.131 0.000 2.325 258 F HA -0.097 4.449 4.527 0.031 0.000 0.299 258 F C 1.887 177.851 175.800 0.274 0.000 1.090 258 F CA 0.974 59.096 58.000 0.202 0.000 1.392 258 F CB -0.429 38.661 39.000 0.150 0.000 1.053 258 F HN -0.244 nan 8.300 nan 0.000 0.521 259 I N 0.321 121.034 120.570 0.237 0.000 2.252 259 I HA -0.240 3.949 4.170 0.031 0.000 0.245 259 I C 2.367 178.530 176.117 0.077 0.000 1.102 259 I CA 1.216 62.614 61.300 0.164 0.000 1.385 259 I CB -1.446 36.682 38.000 0.214 0.000 1.064 259 I HN 0.145 nan 8.210 nan 0.000 0.414 260 K N 0.340 120.800 120.400 0.101 0.000 2.097 260 K HA -0.248 4.091 4.320 0.031 0.000 0.206 260 K C 2.430 179.052 176.600 0.037 0.000 1.049 260 K CA 1.410 57.738 56.287 0.069 0.000 0.933 260 K CB -0.321 32.234 32.500 0.091 0.000 0.717 260 K HN 0.279 nan 8.250 nan 0.000 0.442 261 Y N 1.259 121.511 120.300 -0.080 0.000 2.145 261 Y HA -0.233 4.336 4.550 0.031 0.000 0.286 261 Y C 1.706 177.495 175.900 -0.186 0.000 1.145 261 Y CA 1.520 59.541 58.100 -0.131 0.000 1.148 261 Y CB -0.133 38.229 38.460 -0.162 0.000 0.981 261 Y HN -0.012 nan 8.280 nan 0.000 0.507 262 L N -0.538 120.411 121.223 -0.457 0.000 2.042 262 L HA -0.266 4.093 4.340 0.031 0.000 0.210 262 L C 2.549 179.253 176.870 -0.276 0.000 1.076 262 L CA 1.644 56.228 54.840 -0.427 0.000 0.749 262 L CB -0.781 41.164 42.059 -0.190 0.000 0.893 262 L HN 0.205 nan 8.230 nan 0.000 0.432 263 S N -0.847 114.752 115.700 -0.169 0.000 2.382 263 S HA -0.164 4.325 4.470 0.031 0.000 0.228 263 S C 1.985 176.506 174.600 -0.133 0.000 1.027 263 S CA 1.792 59.917 58.200 -0.125 0.000 0.991 263 S CB -0.310 62.844 63.200 -0.076 0.000 0.823 263 S HN 0.466 nan 8.310 nan 0.000 0.469 264 T N 1.942 116.409 114.554 -0.145 0.000 2.777 264 T HA -0.077 4.292 4.350 0.031 0.000 0.266 264 T C 2.069 176.675 174.700 -0.157 0.000 1.040 264 T CA 1.648 63.678 62.100 -0.117 0.000 1.141 264 T CB -0.706 68.122 68.868 -0.067 0.000 0.868 264 T HN 0.419 nan 8.240 nan 0.000 0.444 265 T N 1.745 116.128 114.554 -0.284 0.000 2.708 265 T HA -0.112 4.256 4.350 0.031 0.000 0.266 265 T C 2.025 176.631 174.700 -0.157 0.000 1.037 265 T CA 1.227 63.170 62.100 -0.261 0.000 1.146 265 T CB -0.193 68.421 68.868 -0.424 0.000 0.865 265 T HN 0.340 nan 8.240 nan 0.000 0.435 266 R N 0.980 121.389 120.500 -0.153 0.000 2.091 266 R HA -0.124 4.234 4.340 0.031 0.000 0.238 266 R C 2.286 178.539 176.300 -0.078 0.000 1.136 266 R CA 1.398 57.437 56.100 -0.101 0.000 0.959 266 R CB -0.112 30.128 30.300 -0.099 0.000 0.856 266 R HN 0.284 nan 8.270 nan 0.000 0.437 267 E N 0.314 120.465 120.200 -0.080 0.000 2.118 267 E HA -0.191 4.178 4.350 0.031 0.000 0.195 267 E C 1.844 178.414 176.600 -0.050 0.000 0.992 267 E CA 1.324 57.688 56.400 -0.060 0.000 0.804 267 E CB -0.208 29.458 29.700 -0.056 0.000 0.741 267 E HN 0.509 nan 8.360 nan 0.000 0.458 268 A N 1.595 124.383 122.820 -0.054 0.000 1.930 268 A HA -0.149 4.189 4.320 0.031 0.000 0.217 268 A C 2.121 179.684 177.584 -0.036 0.000 1.175 268 A CA 0.949 52.962 52.037 -0.039 0.000 0.627 268 A CB -0.237 18.741 19.000 -0.036 0.000 0.815 268 A HN 0.040 nan 8.150 nan 0.000 0.443 269 R N -0.298 120.176 120.500 -0.043 0.000 2.092 269 R HA -0.029 4.330 4.340 0.031 0.000 0.231 269 R C 2.044 178.321 176.300 -0.038 0.000 1.119 269 R CA 1.119 57.197 56.100 -0.036 0.000 0.970 269 R CB -0.859 29.419 30.300 -0.037 0.000 0.864 269 R HN 0.566 nan 8.270 nan 0.000 0.440 270 L N 0.651 121.849 121.223 -0.041 0.000 2.046 270 L HA -0.184 4.175 4.340 0.031 0.000 0.208 270 L C 2.740 179.586 176.870 -0.039 0.000 1.077 270 L CA 2.016 56.831 54.840 -0.042 0.000 0.747 270 L CB -1.034 41.002 42.059 -0.040 0.000 0.896 270 L HN 0.334 nan 8.230 nan 0.000 0.432 271 T N -4.061 110.473 114.554 -0.034 0.000 2.821 271 T HA -0.167 4.202 4.350 0.031 0.000 0.267 271 T C 1.494 176.178 174.700 -0.028 0.000 1.046 271 T CA 1.247 63.330 62.100 -0.029 0.000 1.139 271 T CB -0.359 68.495 68.868 -0.024 0.000 0.871 271 T HN 0.183 nan 8.240 nan 0.000 0.454 272 D N 1.174 121.558 120.400 -0.027 0.000 2.123 272 D HA -0.053 4.605 4.640 0.031 0.000 0.196 272 D C 2.281 178.563 176.300 -0.030 0.000 0.992 272 D CA 0.856 54.841 54.000 -0.025 0.000 0.833 272 D CB -0.497 40.289 40.800 -0.022 0.000 0.954 272 D HN 0.343 nan 8.370 nan 0.000 0.455 273 V N 1.071 120.962 119.914 -0.038 0.000 2.379 273 V HA -0.187 3.952 4.120 0.031 0.000 0.245 273 V C 2.558 178.622 176.094 -0.050 0.000 1.044 273 V CA 1.821 64.093 62.300 -0.047 0.000 1.036 273 V CB -0.573 31.213 31.823 -0.062 0.000 0.664 273 V HN 0.269 nan 8.190 nan 0.000 0.453 274 S N 1.148 116.819 115.700 -0.048 0.000 2.423 274 S HA -0.052 4.437 4.470 0.031 0.000 0.231 274 S C 1.909 176.487 174.600 -0.036 0.000 1.014 274 S CA 1.172 59.345 58.200 -0.046 0.000 0.965 274 S CB -0.353 62.823 63.200 -0.040 0.000 0.785 274 S HN 0.542 nan 8.310 nan 0.000 0.495 275 A N 1.140 123.942 122.820 -0.030 0.000 2.169 275 A HA 0.692 5.030 4.320 0.031 0.000 0.212 275 A C 1.211 178.781 177.584 -0.024 0.000 1.153 275 A CA 0.360 52.383 52.037 -0.024 0.000 0.756 275 A CB -0.725 18.263 19.000 -0.020 0.000 0.813 275 A HN 0.790 nan 8.150 nan 0.000 0.471 276 A N -0.163 122.641 122.820 -0.028 0.000 2.409 276 A HA 0.562 4.901 4.320 0.031 0.000 0.267 276 A C 1.505 179.073 177.584 -0.026 0.000 1.127 276 A CA 0.277 52.299 52.037 -0.025 0.000 0.795 276 A CB 0.128 19.113 19.000 -0.025 0.000 1.061 276 A HN 1.036 nan 8.150 nan 0.000 0.502 277 A N 2.121 124.928 122.820 -0.023 0.000 1.948 277 A HA -0.148 4.191 4.320 0.031 0.000 0.220 277 A C 1.210 178.778 177.584 -0.026 0.000 1.177 277 A CA 1.963 53.986 52.037 -0.023 0.000 0.636 277 A CB -0.223 18.764 19.000 -0.021 0.000 0.815 277 A HN 0.735 nan 8.150 nan 0.000 0.449 278 D N -0.736 119.650 120.400 -0.023 0.000 2.388 278 D HA 0.109 4.767 4.640 0.031 0.000 0.221 278 D C 0.589 176.877 176.300 -0.019 0.000 1.133 278 D CA -0.054 53.932 54.000 -0.022 0.000 0.831 278 D CB -0.369 40.422 40.800 -0.015 0.000 0.962 278 D HN 0.537 nan 8.370 nan 0.000 0.502 279 N N 0.376 119.057 118.700 -0.031 0.000 1.387 279 N HA -0.269 4.489 4.740 0.031 0.000 0.119 279 N C -0.077 175.419 175.510 -0.024 0.000 0.852 279 N CA 0.302 53.324 53.050 -0.045 0.000 0.874 279 N CB -0.889 37.554 38.487 -0.072 0.000 0.970 279 N HN 0.201 nan 8.380 nan 0.000 0.642 280 I N 3.019 123.571 120.570 -0.031 0.000 2.742 280 I HA 0.057 4.246 4.170 0.031 0.000 0.287 280 I C -1.849 174.301 176.117 0.055 0.000 1.186 280 I CA -1.101 60.189 61.300 -0.016 0.000 1.417 280 I CB 0.501 38.470 38.000 -0.052 0.000 1.377 280 I HN 0.272 nan 8.210 nan 0.000 0.556 281 P HA 0.178 nan 4.420 nan 0.000 0.276 281 P C 0.124 177.367 177.300 -0.095 0.000 1.244 281 P CA -0.399 62.708 63.100 0.011 0.000 0.801 281 P CB 1.019 32.703 31.700 -0.027 0.000 1.006 282 A N 2.675 125.434 122.820 -0.101 0.000 1.917 282 A HA -0.248 4.091 4.320 0.031 0.000 0.219 282 A C 1.638 179.040 177.584 -0.304 0.000 1.182 282 A CA 2.227 54.032 52.037 -0.387 0.000 0.633 282 A CB -1.588 17.316 19.000 -0.159 0.000 0.819 282 A HN 0.739 nan 8.150 nan 0.000 0.448 283 N N -1.039 117.556 118.700 -0.175 0.000 2.571 283 N HA -0.044 4.714 4.740 0.031 0.000 0.189 283 N C 0.833 176.293 175.510 -0.084 0.000 1.154 283 N CA 0.901 53.876 53.050 -0.126 0.000 0.907 283 N CB -0.246 38.174 38.487 -0.112 0.000 0.977 283 N HN 0.388 nan 8.380 nan 0.000 0.449 284 M N -0.411 119.121 119.600 -0.113 0.000 2.333 284 M HA 0.208 4.706 4.480 0.031 0.000 0.257 284 M C 1.134 177.373 176.300 -0.101 0.000 1.078 284 M CA -0.116 55.138 55.300 -0.077 0.000 1.005 284 M CB -0.174 32.386 32.600 -0.067 0.000 1.444 284 M HN 0.124 nan 8.290 nan 0.000 0.496 285 L N 1.785 122.899 121.223 -0.183 0.000 2.079 285 L HA -0.167 4.192 4.340 0.031 0.000 0.210 285 L C 1.839 178.675 176.870 -0.057 0.000 1.081 285 L CA 1.957 56.679 54.840 -0.197 0.000 0.752 285 L CB -0.921 40.920 42.059 -0.363 0.000 0.896 285 L HN 0.306 nan 8.230 nan 0.000 0.433 286 N N -0.133 118.564 118.700 -0.005 0.000 2.205 286 N HA -0.146 4.613 4.740 0.031 0.000 0.186 286 N C 1.203 176.750 175.510 0.061 0.000 1.015 286 N CA 1.376 54.470 53.050 0.073 0.000 0.862 286 N CB -0.122 38.454 38.487 0.147 0.000 0.986 286 N HN 0.464 nan 8.380 nan 0.000 0.429 287 A N -0.325 122.513 122.820 0.030 0.000 2.545 287 A HA 0.263 4.602 4.320 0.031 0.000 0.277 287 A C 1.639 179.227 177.584 0.005 0.000 1.301 287 A CA -0.432 51.624 52.037 0.032 0.000 0.935 287 A CB -0.528 18.489 19.000 0.028 0.000 1.093 287 A HN 0.402 nan 8.150 nan 0.000 0.519 288 L N 0.651 121.860 121.223 -0.024 0.000 2.010 288 L HA -0.251 4.107 4.340 0.031 0.000 0.219 288 L C 2.666 179.511 176.870 -0.041 0.000 1.077 288 L CA 2.541 57.344 54.840 -0.061 0.000 0.773 288 L CB -0.155 41.850 42.059 -0.090 0.000 0.892 288 L HN 0.681 nan 8.230 nan 0.000 0.436 289 E N -0.489 119.680 120.200 -0.052 0.000 2.409 289 E HA -0.140 4.229 4.350 0.031 0.000 0.198 289 E C 1.676 178.361 176.600 0.141 0.000 1.024 289 E CA 1.126 57.507 56.400 -0.031 0.000 0.861 289 E CB -0.464 29.073 29.700 -0.271 0.000 0.788 289 E HN 0.612 nan 8.360 nan 0.000 0.521 290 G N 0.823 109.683 108.800 0.100 0.000 3.042 290 G HA2 0.197 4.175 3.960 0.031 0.000 0.212 290 G HA3 0.197 4.175 3.960 0.031 0.000 0.212 290 G C 1.117 176.040 174.900 0.039 0.000 1.166 290 G CA -0.239 44.913 45.100 0.086 0.000 0.767 290 G HN 0.207 nan 8.290 nan 0.000 0.546 291 L N -0.346 120.891 121.223 0.023 0.000 3.229 291 L HA 0.318 4.676 4.340 0.031 0.000 0.286 291 L C 1.734 178.591 176.870 -0.021 0.000 1.239 291 L CA -0.096 54.732 54.840 -0.019 0.000 1.035 291 L CB 0.569 42.593 42.059 -0.058 0.000 1.408 291 L HN 0.144 nan 8.230 nan 0.000 0.593 292 E N 1.575 121.817 120.200 0.070 0.000 2.086 292 E HA -0.260 4.109 4.350 0.031 0.000 0.200 292 E C 1.624 178.318 176.600 0.157 0.000 1.012 292 E CA 2.016 58.530 56.400 0.191 0.000 0.812 292 E CB 0.242 30.106 29.700 0.275 0.000 0.743 292 E HN 0.532 nan 8.360 nan 0.000 0.453 293 E N 0.121 120.376 120.200 0.091 0.000 2.482 293 E HA -0.093 4.275 4.350 0.031 0.000 0.196 293 E C 1.628 178.234 176.600 0.011 0.000 1.047 293 E CA 1.044 57.489 56.400 0.075 0.000 0.869 293 E CB 0.428 30.155 29.700 0.045 0.000 0.836 293 E HN 0.338 nan 8.360 nan 0.000 0.520 294 V N -1.943 117.938 119.914 -0.054 0.000 3.477 294 V HA 0.372 4.511 4.120 0.031 0.000 0.297 294 V C 0.871 176.842 176.094 -0.204 0.000 1.433 294 V CA -0.562 61.679 62.300 -0.098 0.000 1.052 294 V CB -0.386 31.389 31.823 -0.079 0.000 0.895 294 V HN -0.031 nan 8.190 nan 0.000 0.438 295 I N 2.225 122.573 120.570 -0.370 0.000 2.519 295 I HA 0.276 4.464 4.170 0.031 0.000 0.287 295 I C 0.108 175.766 176.117 -0.765 0.000 1.047 295 I CA 0.096 61.001 61.300 -0.660 0.000 1.381 295 I CB 0.943 38.248 38.000 -1.158 0.000 1.417 295 I HN 0.142 nan 8.210 nan 0.000 0.540 296 D N 5.836 125.929 120.400 -0.511 0.000 2.365 296 D HA 0.029 4.687 4.640 0.031 0.000 0.237 296 D C 0.409 176.504 176.300 -0.343 0.000 1.190 296 D CA -0.209 53.586 54.000 -0.341 0.000 0.867 296 D CB 0.571 41.277 40.800 -0.158 0.000 1.050 296 D HN 0.387 nan 8.370 nan 0.000 0.491 297 W N 3.074 124.370 121.300 -0.006 0.000 2.525 297 W HA -0.056 4.622 4.660 0.031 0.000 0.259 297 W C 1.833 178.355 176.519 0.006 0.000 1.253 297 W CA -0.383 56.956 57.345 -0.009 0.000 1.262 297 W CB 0.007 29.457 29.460 -0.017 0.000 1.122 297 W HN 0.369 nan 8.180 nan 0.000 0.607 298 N N 0.642 119.431 118.700 0.149 0.000 2.148 298 N HA -0.084 4.675 4.740 0.031 0.000 0.186 298 N C 1.477 177.010 175.510 0.038 0.000 1.031 298 N CA 1.224 54.328 53.050 0.090 0.000 0.848 298 N CB -0.546 37.973 38.487 0.053 0.000 1.005 298 N HN 0.184 nan 8.380 nan 0.000 0.427 299 K N 0.741 121.135 120.400 -0.011 0.000 2.148 299 K HA 0.012 4.350 4.320 0.031 0.000 0.204 299 K C 1.917 178.476 176.600 -0.069 0.000 1.050 299 K CA 0.481 56.732 56.287 -0.060 0.000 0.942 299 K CB -0.015 32.442 32.500 -0.072 0.000 0.724 299 K HN 0.144 nan 8.250 nan 0.000 0.446 300 I N 0.969 121.548 120.570 0.016 0.000 2.676 300 I HA -0.196 3.992 4.170 0.031 0.000 0.259 300 I C 1.549 177.838 176.117 0.286 0.000 1.194 300 I CA 0.633 62.027 61.300 0.157 0.000 1.473 300 I CB 0.152 38.214 38.000 0.104 0.000 1.096 300 I HN 0.155 nan 8.210 nan 0.000 0.443 301 M N 0.469 120.193 119.600 0.207 0.000 2.460 301 M HA -0.145 4.353 4.480 0.031 0.000 0.263 301 M C 2.104 178.428 176.300 0.039 0.000 1.071 301 M CA 1.273 56.725 55.300 0.253 0.000 1.096 301 M CB -1.337 31.367 32.600 0.173 0.000 1.408 301 M HN 0.377 nan 8.290 nan 0.000 0.463 302 R N -0.763 119.652 120.500 -0.142 0.000 2.285 302 R HA -0.081 4.277 4.340 0.031 0.000 0.213 302 R C 0.888 176.995 176.300 -0.321 0.000 1.068 302 R CA 1.034 56.960 56.100 -0.290 0.000 1.004 302 R CB -0.589 29.454 30.300 -0.428 0.000 0.873 302 R HN 0.153 nan 8.270 nan 0.000 0.467 303 F N 1.288 121.232 119.950 -0.010 0.000 2.727 303 F HA 0.246 4.792 4.527 0.031 0.000 0.302 303 F C 0.845 176.402 175.800 -0.405 0.000 1.097 303 F CA -0.507 57.446 58.000 -0.078 0.000 1.330 303 F CB -0.144 38.917 39.000 0.102 0.000 1.084 303 F HN 0.085 nan 8.300 nan 0.000 0.578 304 Q N 0.844 120.355 119.800 -0.481 0.000 2.304 304 Q HA 0.234 4.592 4.340 0.031 0.000 0.260 304 Q C 0.230 175.952 176.000 -0.463 0.000 0.965 304 Q CA -0.154 55.086 55.803 -0.938 0.000 0.898 304 Q CB 0.842 29.147 28.738 -0.722 0.000 1.196 304 Q HN 0.117 nan 8.270 nan 0.000 0.402 305 S N 2.307 117.740 115.700 -0.445 0.000 2.608 305 S HA 0.011 4.500 4.470 0.031 0.000 0.261 305 S C 0.931 175.417 174.600 -0.190 0.000 1.314 305 S CA -0.330 57.717 58.200 -0.255 0.000 0.992 305 S CB 0.826 63.889 63.200 -0.228 0.000 0.935 305 S HN 0.762 nan 8.310 nan 0.000 0.564 306 K N 0.790 121.121 120.400 -0.114 0.000 2.283 306 K HA -0.125 4.213 4.320 0.031 0.000 0.202 306 K C 0.505 177.088 176.600 -0.029 0.000 1.048 306 K CA 1.628 57.877 56.287 -0.064 0.000 0.948 306 K CB -0.297 32.179 32.500 -0.039 0.000 0.742 306 K HN 0.605 nan 8.250 nan 0.000 0.458 307 D N -0.325 120.058 120.400 -0.028 0.000 2.340 307 D HA 0.069 4.727 4.640 0.031 0.000 0.220 307 D C 1.169 177.500 176.300 0.052 0.000 1.039 307 D CA 0.628 54.665 54.000 0.061 0.000 0.866 307 D CB 0.412 41.308 40.800 0.161 0.000 0.913 307 D HN 0.442 nan 8.370 nan 0.000 0.523 308 G N 0.044 108.793 108.800 -0.085 0.000 2.213 308 G HA2 -0.271 3.708 3.960 0.031 0.000 0.236 308 G HA3 -0.271 3.708 3.960 0.031 0.000 0.236 308 G C 0.442 175.193 174.900 -0.248 0.000 0.991 308 G CA 0.329 45.385 45.100 -0.073 0.000 0.629 308 G HN 0.821 nan 8.290 nan 0.000 0.517 309 S N -0.362 114.973 115.700 -0.608 0.000 2.632 309 S HA 0.756 5.244 4.470 0.031 0.000 0.267 309 S C -0.302 174.026 174.600 -0.453 0.000 1.276 309 S CA -0.533 57.187 58.200 -0.799 0.000 0.998 309 S CB 1.317 63.585 63.200 -1.553 0.000 0.953 309 S HN 0.477 nan 8.310 nan 0.000 0.547 310 F N 1.011 120.805 119.950 -0.260 0.000 2.375 310 F HA 0.484 5.029 4.527 0.031 0.000 0.361 310 F C 0.621 176.374 175.800 -0.078 0.000 1.117 310 F CA -0.871 57.063 58.000 -0.110 0.000 1.037 310 F CB 0.921 39.890 39.000 -0.052 0.000 1.192 310 F HN 0.575 nan 8.300 nan 0.000 0.452 311 L N 3.224 124.471 121.223 0.039 0.000 3.839 311 L HA -0.439 3.920 4.340 0.031 0.000 0.416 311 L C 0.806 177.795 176.870 0.199 0.000 1.195 311 L CA 0.829 55.725 54.840 0.094 0.000 0.946 311 L CB -1.759 40.377 42.059 0.128 0.000 1.891 311 L HN 0.963 nan 8.230 nan 0.000 0.963 312 S N -2.474 113.267 115.700 0.069 0.000 3.261 312 S HA -0.217 4.271 4.470 0.031 0.000 0.287 312 S C 0.537 175.208 174.600 0.119 0.000 1.281 312 S CA 1.372 59.636 58.200 0.108 0.000 1.053 312 S CB -0.873 62.534 63.200 0.344 0.000 1.251 312 S HN 0.769 nan 8.310 nan 0.000 0.659 313 S N 1.401 117.146 115.700 0.076 0.000 2.410 313 S HA 0.517 5.005 4.470 0.031 0.000 0.304 313 S C -1.346 173.298 174.600 0.073 0.000 1.095 313 S CA -1.780 56.461 58.200 0.069 0.000 1.089 313 S CB 1.180 64.422 63.200 0.071 0.000 0.968 313 S HN -0.014 nan 8.310 nan 0.000 0.480 314 P HA -0.021 nan 4.420 nan 0.000 0.217 314 P C 1.407 178.683 177.300 -0.041 0.000 1.150 314 P CA 1.241 64.401 63.100 0.100 0.000 0.832 314 P CB 0.061 31.748 31.700 -0.021 0.000 0.787 315 A N -0.397 122.361 122.820 -0.105 0.000 1.865 315 A HA -0.206 4.132 4.320 0.031 0.000 0.217 315 A C 2.358 179.627 177.584 -0.524 0.000 1.191 315 A CA 2.426 54.273 52.037 -0.316 0.000 0.623 315 A CB -1.623 17.215 19.000 -0.270 0.000 0.826 315 A HN 0.136 nan 8.150 nan 0.000 0.444 316 S N -0.442 115.094 115.700 -0.272 0.000 2.382 316 S HA -0.126 4.363 4.470 0.031 0.000 0.228 316 S C 2.000 176.434 174.600 -0.277 0.000 1.027 316 S CA 1.772 59.808 58.200 -0.273 0.000 0.991 316 S CB -0.569 62.586 63.200 -0.074 0.000 0.823 316 S HN 0.713 nan 8.310 nan 0.000 0.469 317 T N 2.335 116.821 114.554 -0.113 0.000 2.821 317 T HA 0.032 4.401 4.350 0.031 0.000 0.267 317 T C 2.178 176.840 174.700 -0.064 0.000 1.046 317 T CA 1.091 63.191 62.100 0.000 0.000 1.139 317 T CB -0.462 68.476 68.868 0.118 0.000 0.871 317 T HN 0.460 nan 8.240 nan 0.000 0.454 318 A N 0.579 123.328 122.820 -0.118 0.000 1.902 318 A HA -0.153 4.186 4.320 0.031 0.000 0.217 318 A C 2.713 180.148 177.584 -0.248 0.000 1.181 318 A CA 1.645 53.643 52.037 -0.065 0.000 0.623 318 A CB -1.437 17.598 19.000 0.059 0.000 0.818 318 A HN 0.634 nan 8.150 nan 0.000 0.443 319 C N -0.887 117.990 119.300 -0.704 0.000 2.432 319 C HA -0.058 4.420 4.460 0.031 0.000 0.277 319 C C 2.689 177.458 174.990 -0.368 0.000 1.249 319 C CA 1.337 59.922 59.018 -0.723 0.000 1.725 319 C CB -1.393 25.818 27.740 -0.882 0.000 2.028 319 C HN 0.420 nan 8.230 nan 0.000 0.477 320 V N 1.311 121.023 119.914 -0.337 0.000 2.332 320 V HA -0.189 3.950 4.120 0.031 0.000 0.248 320 V C 2.429 178.363 176.094 -0.267 0.000 1.055 320 V CA 2.121 64.229 62.300 -0.321 0.000 1.038 320 V CB -0.992 30.529 31.823 -0.504 0.000 0.651 320 V HN 0.634 nan 8.190 nan 0.000 0.450 321 L N -0.111 121.041 121.223 -0.118 0.000 2.012 321 L HA -0.203 4.155 4.340 0.031 0.000 0.210 321 L C 2.367 179.197 176.870 -0.067 0.000 1.073 321 L CA 2.419 57.251 54.840 -0.013 0.000 0.748 321 L CB -0.704 41.433 42.059 0.129 0.000 0.891 321 L HN 0.356 nan 8.230 nan 0.000 0.431 322 M N -0.834 118.728 119.600 -0.062 0.000 2.144 322 M HA -0.251 4.247 4.480 0.031 0.000 0.260 322 M C 1.428 177.601 176.300 -0.212 0.000 1.067 322 M CA 2.015 57.288 55.300 -0.045 0.000 1.095 322 M CB -0.246 32.417 32.600 0.105 0.000 1.365 322 M HN 0.423 nan 8.290 nan 0.000 0.406 323 N N -1.053 117.362 118.700 -0.474 0.000 2.373 323 N HA 0.015 4.774 4.740 0.031 0.000 0.181 323 N C 1.238 176.363 175.510 -0.642 0.000 1.082 323 N CA 1.511 54.096 53.050 -0.775 0.000 0.885 323 N CB 0.478 37.913 38.487 -1.752 0.000 0.977 323 N HN 0.593 nan 8.380 nan 0.000 0.462 324 T N -4.872 109.442 114.554 -0.401 0.000 2.966 324 T HA 0.263 4.631 4.350 0.031 0.000 0.254 324 T C 1.365 176.007 174.700 -0.098 0.000 0.961 324 T CA 0.748 62.718 62.100 -0.216 0.000 0.915 324 T CB 0.750 69.546 68.868 -0.120 0.000 1.186 324 T HN 0.096 nan 8.240 nan 0.000 0.505 325 G N 1.879 110.632 108.800 -0.079 0.000 2.168 325 G HA2 -0.278 3.700 3.960 0.031 0.000 0.263 325 G HA3 -0.278 3.700 3.960 0.031 0.000 0.263 325 G C -0.165 174.748 174.900 0.021 0.000 0.977 325 G CA 0.311 45.393 45.100 -0.029 0.000 0.659 325 G HN 0.902 nan 8.290 nan 0.000 0.533 326 D N 0.183 120.611 120.400 0.047 0.000 2.581 326 D HA 0.203 4.862 4.640 0.031 0.000 0.238 326 D C 1.404 177.792 176.300 0.147 0.000 1.145 326 D CA 0.817 54.875 54.000 0.097 0.000 0.866 326 D CB 0.291 41.172 40.800 0.136 0.000 1.151 326 D HN 0.428 nan 8.370 nan 0.000 0.500 327 E N 3.060 123.337 120.200 0.128 0.000 2.118 327 E HA -0.250 4.119 4.350 0.031 0.000 0.195 327 E C 1.286 178.038 176.600 0.254 0.000 0.992 327 E CA 1.024 57.531 56.400 0.178 0.000 0.804 327 E CB 0.238 30.006 29.700 0.113 0.000 0.741 327 E HN 0.496 nan 8.360 nan 0.000 0.458 328 K N -0.195 120.320 120.400 0.191 0.000 2.097 328 K HA -0.115 4.223 4.320 0.031 0.000 0.205 328 K C 2.292 179.027 176.600 0.226 0.000 1.050 328 K CA 1.200 57.596 56.287 0.183 0.000 0.938 328 K CB -0.121 32.449 32.500 0.117 0.000 0.718 328 K HN 0.252 nan 8.250 nan 0.000 0.442 329 C N 0.451 119.899 119.300 0.247 0.000 2.413 329 C HA -0.153 4.325 4.460 0.031 0.000 0.276 329 C C 2.385 177.566 174.990 0.319 0.000 1.236 329 C CA 0.509 59.694 59.018 0.279 0.000 1.735 329 C CB -0.866 27.028 27.740 0.257 0.000 2.031 329 C HN 0.478 nan 8.230 nan 0.000 0.474 330 F N 2.017 122.093 119.950 0.209 0.000 2.095 330 F HA -0.210 4.336 4.527 0.031 0.000 0.298 330 F C 2.407 178.349 175.800 0.236 0.000 1.104 330 F CA 2.290 60.440 58.000 0.250 0.000 1.232 330 F CB -0.743 38.368 39.000 0.185 0.000 0.987 330 F HN 0.139 nan 8.300 nan 0.000 0.475 331 T N 0.982 115.609 114.554 0.122 0.000 2.720 331 T HA -0.248 4.121 4.350 0.031 0.000 0.268 331 T C 1.665 176.336 174.700 -0.048 0.000 1.037 331 T CA 1.722 63.813 62.100 -0.015 0.000 1.144 331 T CB -0.872 68.089 68.868 0.156 0.000 0.864 331 T HN 0.449 nan 8.240 nan 0.000 0.444 332 F N 1.580 121.496 119.950 -0.057 0.000 2.069 332 F HA -0.112 4.433 4.527 0.031 0.000 0.298 332 F C 1.955 177.667 175.800 -0.146 0.000 1.113 332 F CA 1.372 59.339 58.000 -0.056 0.000 1.214 332 F CB -0.327 38.672 39.000 -0.002 0.000 0.978 332 F HN 0.044 nan 8.300 nan 0.000 0.474 333 L N 0.052 121.172 121.223 -0.171 0.000 2.056 333 L HA -0.217 4.142 4.340 0.031 0.000 0.207 333 L C 2.246 178.718 176.870 -0.663 0.000 1.078 333 L CA 1.575 56.152 54.840 -0.439 0.000 0.749 333 L CB -0.931 40.956 42.059 -0.287 0.000 0.901 333 L HN 0.238 nan 8.230 nan 0.000 0.433 334 N N 0.449 118.762 118.700 -0.646 0.000 2.084 334 N HA -0.197 4.562 4.740 0.031 0.000 0.190 334 N C 1.623 176.915 175.510 -0.364 0.000 1.030 334 N CA 1.493 54.211 53.050 -0.554 0.000 0.849 334 N CB -0.067 37.993 38.487 -0.712 0.000 1.012 334 N HN 0.180 nan 8.380 nan 0.000 0.423 335 N N 0.085 118.594 118.700 -0.319 0.000 2.188 335 N HA -0.108 4.650 4.740 0.031 0.000 0.184 335 N C 1.543 176.904 175.510 -0.247 0.000 1.018 335 N CA 0.456 53.378 53.050 -0.213 0.000 0.858 335 N CB -0.433 37.967 38.487 -0.144 0.000 0.989 335 N HN 0.269 nan 8.380 nan 0.000 0.426 336 L N 1.050 122.027 121.223 -0.410 0.000 2.056 336 L HA 0.036 4.395 4.340 0.031 0.000 0.207 336 L C 1.986 178.684 176.870 -0.287 0.000 1.078 336 L CA 1.151 55.741 54.840 -0.417 0.000 0.749 336 L CB -0.642 40.972 42.059 -0.741 0.000 0.901 336 L HN 0.070 nan 8.230 nan 0.000 0.433 337 L N -0.542 120.460 121.223 -0.367 0.000 2.042 337 L HA -0.261 4.097 4.340 0.031 0.000 0.210 337 L C 2.259 179.049 176.870 -0.132 0.000 1.076 337 L CA 1.506 56.181 54.840 -0.275 0.000 0.749 337 L CB -0.841 40.998 42.059 -0.366 0.000 0.893 337 L HN 0.290 nan 8.230 nan 0.000 0.432 338 D N -0.139 120.184 120.400 -0.129 0.000 2.117 338 D HA -0.212 4.447 4.640 0.031 0.000 0.197 338 D C 2.125 178.387 176.300 -0.064 0.000 0.987 338 D CA 1.206 55.163 54.000 -0.071 0.000 0.829 338 D CB -0.069 40.694 40.800 -0.062 0.000 0.961 338 D HN 0.210 nan 8.370 nan 0.000 0.460 339 K N -0.556 119.801 120.400 -0.072 0.000 2.097 339 K HA -0.079 4.259 4.320 0.031 0.000 0.206 339 K C 1.520 177.991 176.600 -0.215 0.000 1.049 339 K CA 0.894 57.112 56.287 -0.116 0.000 0.933 339 K CB -0.127 32.319 32.500 -0.091 0.000 0.717 339 K HN 0.086 nan 8.250 nan 0.000 0.442 340 F N -0.078 119.730 119.950 -0.236 0.000 2.765 340 F HA 0.225 4.771 4.527 0.031 0.000 0.302 340 F C 1.034 176.753 175.800 -0.135 0.000 1.111 340 F CA 0.388 58.256 58.000 -0.220 0.000 1.359 340 F CB 0.998 39.807 39.000 -0.319 0.000 1.097 340 F HN 0.230 nan 8.300 nan 0.000 0.577 341 G N 0.637 109.445 108.800 0.014 0.000 2.272 341 G HA2 -0.014 3.965 3.960 0.031 0.000 0.280 341 G HA3 -0.014 3.965 3.960 0.031 0.000 0.280 341 G C 0.979 175.914 174.900 0.059 0.000 1.067 341 G CA 0.148 45.264 45.100 0.026 0.000 0.902 341 G HN 1.107 nan 8.290 nan 0.000 0.500 342 G N -2.921 105.889 108.800 0.015 0.000 2.168 342 G HA2 0.129 4.108 3.960 0.031 0.000 0.197 342 G HA3 0.129 4.108 3.960 0.031 0.000 0.197 342 G C 1.081 175.945 174.900 -0.059 0.000 0.997 342 G CA 1.075 46.188 45.100 0.021 0.000 0.658 342 G HN 2.412 nan 8.290 nan 0.000 0.513 343 C N -1.141 118.038 119.300 -0.201 0.000 3.307 343 C HA 0.999 5.477 4.460 0.031 0.000 0.350 343 C C 0.219 174.897 174.990 -0.520 0.000 1.549 343 C CA -0.595 58.118 59.018 -0.509 0.000 1.396 343 C CB 1.610 28.709 27.740 -1.067 0.000 1.970 343 C HN 1.731 nan 8.230 nan 0.000 0.441 344 V N -3.011 116.501 119.914 -0.671 0.000 3.078 344 V HA 0.939 5.077 4.120 0.031 0.000 0.311 344 V C -2.963 172.655 176.094 -0.792 0.000 1.138 344 V CA -1.634 60.179 62.300 -0.810 0.000 1.007 344 V CB 1.665 33.136 31.823 -0.588 0.000 1.045 344 V HN 0.982 nan 8.190 nan 0.000 0.432 345 P HA 0.308 nan 4.420 nan 0.000 0.297 345 P C 0.855 177.936 177.300 -0.365 0.000 1.307 345 P CA 0.026 62.774 63.100 -0.586 0.000 0.773 345 P CB 1.358 32.676 31.700 -0.636 0.000 1.265 346 C N -1.855 117.265 119.300 -0.301 0.000 2.514 346 C HA 0.437 4.915 4.460 0.031 0.000 0.271 346 C C 1.070 175.896 174.990 -0.274 0.000 1.399 346 C CA -0.134 58.739 59.018 -0.243 0.000 1.765 346 C CB -1.804 25.788 27.740 -0.246 0.000 1.893 346 C HN 0.579 nan 8.230 nan 0.000 0.531 347 M N -1.643 117.766 119.600 -0.318 0.000 2.471 347 M HA 0.707 5.206 4.480 0.031 0.000 0.284 347 M C -1.704 174.615 176.300 0.030 0.000 1.203 347 M CA -0.524 54.645 55.300 -0.218 0.000 0.915 347 M CB 1.715 33.957 32.600 -0.597 0.000 1.734 347 M HN 0.145 nan 8.290 nan 0.000 0.485 348 Y N 0.203 120.508 120.300 0.009 0.000 2.620 348 Y HA 0.526 5.095 4.550 0.030 0.000 0.331 348 Y C -0.530 175.518 175.900 0.247 0.000 1.173 348 Y CA -0.440 57.712 58.100 0.087 0.000 1.076 348 Y CB 2.106 40.578 38.460 0.019 0.000 1.336 348 Y HN 1.059 nan 8.280 nan 0.000 0.459 349 S N 2.807 118.507 115.700 -0.000 0.000 2.655 349 S HA 0.486 4.974 4.470 0.031 0.000 0.265 349 S C 0.089 174.495 174.600 -0.324 0.000 1.240 349 S CA -0.238 57.559 58.200 -0.671 0.000 0.986 349 S CB 1.025 63.916 63.200 -0.516 0.000 0.985 349 S HN 0.722 nan 8.310 nan 0.000 0.562 350 I N -2.068 118.260 120.570 -0.403 0.000 3.326 350 I HA 0.332 4.520 4.170 0.031 0.000 0.336 350 I C 0.478 176.532 176.117 -0.105 0.000 1.543 350 I CA -0.591 60.632 61.300 -0.128 0.000 1.013 350 I CB 0.186 38.107 38.000 -0.133 0.000 1.468 350 I HN 0.630 nan 8.210 nan 0.000 0.515 351 D N 1.781 122.106 120.400 -0.125 0.000 2.219 351 D HA -0.171 4.487 4.640 0.031 0.000 0.205 351 D C 1.694 177.986 176.300 -0.013 0.000 0.970 351 D CA 1.041 54.981 54.000 -0.101 0.000 0.851 351 D CB 0.047 40.804 40.800 -0.071 0.000 0.943 351 D HN 0.542 nan 8.370 nan 0.000 0.488 352 L N -0.516 120.737 121.223 0.050 0.000 2.145 352 L HA 0.024 4.383 4.340 0.031 0.000 0.201 352 L C 2.575 179.494 176.870 0.082 0.000 1.075 352 L CA 0.188 55.092 54.840 0.105 0.000 0.773 352 L CB -0.466 41.659 42.059 0.110 0.000 0.936 352 L HN 0.012 nan 8.230 nan 0.000 0.451 353 L N 0.523 121.800 121.223 0.091 0.000 2.012 353 L HA -0.232 4.126 4.340 0.031 0.000 0.210 353 L C 2.463 179.345 176.870 0.019 0.000 1.073 353 L CA 1.887 56.782 54.840 0.090 0.000 0.748 353 L CB -0.517 41.640 42.059 0.162 0.000 0.891 353 L HN 0.271 nan 8.230 nan 0.000 0.431 354 E N -0.739 119.444 120.200 -0.028 0.000 2.077 354 E HA -0.257 4.111 4.350 0.031 0.000 0.193 354 E C 2.339 178.894 176.600 -0.075 0.000 0.989 354 E CA 1.195 57.551 56.400 -0.073 0.000 0.800 354 E CB -0.041 29.597 29.700 -0.104 0.000 0.746 354 E HN 0.486 nan 8.360 nan 0.000 0.452 355 R N 0.040 120.503 120.500 -0.062 0.000 2.073 355 R HA -0.108 4.251 4.340 0.031 0.000 0.234 355 R C 2.601 178.903 176.300 0.003 0.000 1.134 355 R CA 1.302 57.376 56.100 -0.042 0.000 0.952 355 R CB -0.299 29.989 30.300 -0.020 0.000 0.850 355 R HN 0.234 nan 8.270 nan 0.000 0.433 356 L N -0.141 121.097 121.223 0.024 0.000 2.017 356 L HA -0.180 4.178 4.340 0.031 0.000 0.208 356 L C 2.406 179.301 176.870 0.042 0.000 1.073 356 L CA 1.235 56.093 54.840 0.031 0.000 0.745 356 L CB -0.299 41.791 42.059 0.051 0.000 0.894 356 L HN 0.155 nan 8.230 nan 0.000 0.432 357 S N -0.318 115.408 115.700 0.044 0.000 2.387 357 S HA -0.119 4.369 4.470 0.031 0.000 0.226 357 S C 1.773 176.418 174.600 0.076 0.000 1.026 357 S CA 0.855 59.100 58.200 0.076 0.000 0.972 357 S CB -0.190 63.056 63.200 0.076 0.000 0.814 357 S HN 0.233 nan 8.310 nan 0.000 0.477 358 L N 1.910 123.134 121.223 0.003 0.000 2.017 358 L HA -0.038 4.321 4.340 0.031 0.000 0.208 358 L C 2.146 179.027 176.870 0.020 0.000 1.073 358 L CA 1.679 56.480 54.840 -0.065 0.000 0.745 358 L CB -0.829 41.058 42.059 -0.287 0.000 0.894 358 L HN 0.115 nan 8.230 nan 0.000 0.432 359 V N 0.101 120.064 119.914 0.082 0.000 2.287 359 V HA -0.325 3.814 4.120 0.031 0.000 0.248 359 V C 2.393 178.579 176.094 0.154 0.000 1.053 359 V CA 2.077 64.474 62.300 0.161 0.000 1.027 359 V CB -0.847 31.023 31.823 0.078 0.000 0.646 359 V HN 0.602 nan 8.190 nan 0.000 0.447 360 D N 0.174 120.647 120.400 0.122 0.000 2.097 360 D HA -0.187 4.471 4.640 0.031 0.000 0.195 360 D C 1.918 178.320 176.300 0.169 0.000 0.989 360 D CA 1.632 55.708 54.000 0.126 0.000 0.827 360 D CB -0.191 40.663 40.800 0.091 0.000 0.966 360 D HN 0.363 nan 8.370 nan 0.000 0.456 361 N N -0.010 118.814 118.700 0.206 0.000 2.120 361 N HA -0.100 4.658 4.740 0.031 0.000 0.188 361 N C 2.038 177.682 175.510 0.223 0.000 1.024 361 N CA 0.717 53.947 53.050 0.300 0.000 0.852 361 N CB -0.332 38.369 38.487 0.357 0.000 1.003 361 N HN 0.364 nan 8.380 nan 0.000 0.424 362 I N 1.439 122.102 120.570 0.156 0.000 2.179 362 I HA -0.217 3.971 4.170 0.031 0.000 0.242 362 I C 2.082 178.343 176.117 0.239 0.000 1.088 362 I CA 1.101 62.495 61.300 0.156 0.000 1.357 362 I CB -0.135 37.937 38.000 0.121 0.000 1.051 362 I HN 0.114 nan 8.210 nan 0.000 0.409 363 E N -0.148 120.203 120.200 0.251 0.000 2.077 363 E HA -0.284 4.084 4.350 0.031 0.000 0.193 363 E C 2.042 178.786 176.600 0.241 0.000 0.989 363 E CA 1.453 58.009 56.400 0.260 0.000 0.800 363 E CB -0.547 29.307 29.700 0.258 0.000 0.746 363 E HN 0.652 nan 8.360 nan 0.000 0.452 364 H N 0.301 119.409 119.070 0.063 0.000 2.387 364 H HA -0.002 4.572 4.556 0.030 0.000 0.299 364 H C 2.206 177.598 175.328 0.106 0.000 1.090 364 H CA 0.652 56.659 56.048 -0.069 0.000 1.332 364 H CB 0.110 29.577 29.762 -0.491 0.000 1.386 364 H HN 0.030 nan 8.280 nan 0.000 0.516 365 L N -0.563 120.855 121.223 0.325 0.000 2.456 365 L HA -0.030 4.328 4.340 0.031 0.000 0.224 365 L C 1.707 178.682 176.870 0.175 0.000 1.148 365 L CA 0.774 55.738 54.840 0.207 0.000 0.825 365 L CB 0.165 42.240 42.059 0.027 0.000 0.937 365 L HN 0.681 nan 8.230 nan 0.000 0.450 366 G N 0.588 109.517 108.800 0.215 0.000 2.159 366 G HA2 -0.263 3.716 3.960 0.031 0.000 0.227 366 G HA3 -0.263 3.716 3.960 0.031 0.000 0.227 366 G C 0.630 175.705 174.900 0.291 0.000 0.986 366 G CA 0.211 45.437 45.100 0.211 0.000 0.651 366 G HN 0.481 nan 8.290 nan 0.000 0.523 367 I N -1.997 118.767 120.570 0.323 0.000 3.856 367 I HA 0.534 4.722 4.170 0.031 0.000 0.330 367 I C 1.661 178.066 176.117 0.480 0.000 1.546 367 I CA 0.275 61.831 61.300 0.426 0.000 1.132 367 I CB 0.158 38.462 38.000 0.506 0.000 1.157 367 I HN 0.019 nan 8.210 nan 0.000 0.440 368 G N 2.574 111.602 108.800 0.380 0.000 2.471 368 G HA2 -0.224 3.755 3.960 0.031 0.000 0.219 368 G HA3 -0.224 3.755 3.960 0.031 0.000 0.219 368 G C 1.769 176.821 174.900 0.252 0.000 1.125 368 G CA 0.736 46.070 45.100 0.389 0.000 0.775 368 G HN 0.648 nan 8.290 nan 0.000 0.548 369 R N -0.459 120.079 120.500 0.064 0.000 2.237 369 R HA 0.001 4.359 4.340 0.031 0.000 0.219 369 R C 1.592 177.752 176.300 -0.233 0.000 1.080 369 R CA 1.154 57.191 56.100 -0.105 0.000 0.995 369 R CB -0.591 29.581 30.300 -0.213 0.000 0.875 369 R HN 0.338 nan 8.270 nan 0.000 0.462 370 H N -0.434 118.539 119.070 -0.163 0.000 2.548 370 H HA 0.050 4.610 4.556 0.006 0.000 0.268 370 H C 0.068 174.955 175.328 -0.734 0.000 0.975 370 H CA 0.673 56.395 56.048 -0.543 0.000 1.195 370 H CB 0.226 29.435 29.762 -0.922 0.000 1.397 370 H HN 0.274 nan 8.280 nan 0.000 0.572 371 F N -0.160 119.840 119.950 0.084 0.000 2.814 371 F HA 0.273 4.829 4.527 0.049 0.000 0.326 371 F C 1.537 177.261 175.800 -0.128 0.000 1.159 371 F CA -0.552 57.413 58.000 -0.057 0.000 1.234 371 F CB 0.485 39.433 39.000 -0.086 0.000 1.016 371 F HN -0.178 nan 8.300 nan 0.000 0.510 372 K N 0.107 120.537 120.400 0.050 0.000 2.044 372 K HA -0.269 4.070 4.320 0.031 0.000 0.210 372 K C 1.982 178.580 176.600 -0.004 0.000 1.049 372 K CA 1.794 58.106 56.287 0.042 0.000 0.927 372 K CB -0.065 32.454 32.500 0.032 0.000 0.713 372 K HN 0.179 nan 8.250 nan 0.000 0.443 373 Q N 1.173 120.957 119.800 -0.026 0.000 2.079 373 Q HA -0.160 4.199 4.340 0.031 0.000 0.200 373 Q C 1.640 177.588 176.000 -0.086 0.000 0.974 373 Q CA 1.676 57.459 55.803 -0.034 0.000 0.840 373 Q CB 0.068 28.794 28.738 -0.020 0.000 0.898 373 Q HN 0.212 nan 8.270 nan 0.000 0.430 374 E N -0.108 119.976 120.200 -0.194 0.000 2.077 374 E HA -0.134 4.234 4.350 0.031 0.000 0.193 374 E C 1.877 178.183 176.600 -0.491 0.000 0.989 374 E CA 1.222 57.360 56.400 -0.436 0.000 0.800 374 E CB -0.252 28.902 29.700 -0.910 0.000 0.746 374 E HN 0.405 nan 8.360 nan 0.000 0.452 375 I N 0.823 121.136 120.570 -0.428 0.000 2.226 375 I HA -0.304 3.884 4.170 0.031 0.000 0.245 375 I C 2.425 178.504 176.117 -0.064 0.000 1.100 375 I CA 1.240 62.427 61.300 -0.189 0.000 1.374 375 I CB -0.226 37.723 38.000 -0.084 0.000 1.057 375 I HN 0.076 nan 8.210 nan 0.000 0.413 376 K N 1.169 121.558 120.400 -0.019 0.000 2.097 376 K HA -0.162 4.177 4.320 0.031 0.000 0.206 376 K C 2.108 178.762 176.600 0.089 0.000 1.049 376 K CA 1.647 57.972 56.287 0.063 0.000 0.933 376 K CB -0.379 32.153 32.500 0.053 0.000 0.717 376 K HN 0.366 nan 8.250 nan 0.000 0.442 377 G N 0.472 109.304 108.800 0.053 0.000 2.421 377 G HA2 -0.266 3.713 3.960 0.031 0.000 0.216 377 G HA3 -0.266 3.713 3.960 0.031 0.000 0.216 377 G C 1.599 176.581 174.900 0.137 0.000 1.171 377 G CA 0.936 46.092 45.100 0.094 0.000 0.775 377 G HN 0.451 nan 8.290 nan 0.000 0.543 378 A N 0.497 123.392 122.820 0.125 0.000 1.902 378 A HA 0.101 4.440 4.320 0.031 0.000 0.217 378 A C 2.443 180.104 177.584 0.127 0.000 1.181 378 A CA 1.317 53.442 52.037 0.146 0.000 0.623 378 A CB -0.390 18.747 19.000 0.228 0.000 0.818 378 A HN 0.354 nan 8.150 nan 0.000 0.443 379 L N -0.760 120.492 121.223 0.047 0.000 2.109 379 L HA -0.132 4.227 4.340 0.031 0.000 0.207 379 L C 1.972 178.810 176.870 -0.053 0.000 1.086 379 L CA 1.105 55.886 54.840 -0.098 0.000 0.760 379 L CB -0.691 41.212 42.059 -0.261 0.000 0.910 379 L HN 0.266 nan 8.230 nan 0.000 0.437 380 D N -0.456 120.034 120.400 0.150 0.000 2.123 380 D HA -0.243 4.416 4.640 0.031 0.000 0.196 380 D C 1.877 178.317 176.300 0.233 0.000 0.992 380 D CA 1.282 55.425 54.000 0.239 0.000 0.833 380 D CB -0.182 40.755 40.800 0.228 0.000 0.954 380 D HN 0.284 nan 8.370 nan 0.000 0.455 381 Y N 1.430 121.801 120.300 0.119 0.000 2.145 381 Y HA -0.235 4.334 4.550 0.031 0.000 0.286 381 Y C 2.221 178.251 175.900 0.217 0.000 1.145 381 Y CA 1.249 59.441 58.100 0.154 0.000 1.148 381 Y CB -0.427 38.116 38.460 0.139 0.000 0.981 381 Y HN -0.191 nan 8.280 nan 0.000 0.507 382 V N -0.422 119.739 119.914 0.412 0.000 2.343 382 V HA -0.314 3.824 4.120 0.031 0.000 0.247 382 V C 2.057 178.297 176.094 0.242 0.000 1.051 382 V CA 2.174 64.669 62.300 0.325 0.000 1.036 382 V CB -1.146 30.794 31.823 0.195 0.000 0.654 382 V HN 0.543 nan 8.190 nan 0.000 0.451 383 Y N 1.328 121.609 120.300 -0.032 0.000 2.274 383 Y HA -0.184 4.385 4.550 0.032 0.000 0.290 383 Y C 2.637 178.555 175.900 0.029 0.000 1.145 383 Y CA 1.433 59.499 58.100 -0.056 0.000 1.203 383 Y CB -0.282 38.092 38.460 -0.143 0.000 0.984 383 Y HN 0.153 nan 8.280 nan 0.000 0.533 384 R N -1.189 119.274 120.500 -0.062 0.000 2.152 384 R HA -0.147 4.212 4.340 0.031 0.000 0.232 384 R C 1.109 177.143 176.300 -0.442 0.000 1.117 384 R CA 1.386 57.300 56.100 -0.310 0.000 0.981 384 R CB -0.380 29.649 30.300 -0.451 0.000 0.870 384 R HN 0.524 nan 8.270 nan 0.000 0.451 385 H N -1.883 117.139 119.070 -0.080 0.000 2.549 385 H HA 0.024 4.598 4.556 0.030 0.000 0.279 385 H C 0.155 175.489 175.328 0.009 0.000 1.018 385 H CA -0.371 55.641 56.048 -0.060 0.000 1.175 385 H CB 0.089 29.809 29.762 -0.069 0.000 1.485 385 H HN 0.230 nan 8.280 nan 0.000 0.543 386 W N 3.420 124.657 121.300 -0.105 0.000 2.216 386 W HA 0.197 4.877 4.660 0.032 0.000 0.326 386 W C -0.497 175.951 176.519 -0.120 0.000 1.319 386 W CA 0.227 57.511 57.345 -0.102 0.000 1.213 386 W CB 0.864 30.232 29.460 -0.154 0.000 1.171 386 W HN 0.001 nan 8.180 nan 0.000 0.557 387 S N 2.634 117.904 115.700 -0.717 0.000 2.549 387 S HA 0.152 4.641 4.470 0.031 0.000 0.280 387 S C 0.594 174.832 174.600 -0.603 0.000 1.109 387 S CA -0.811 57.092 58.200 -0.495 0.000 0.905 387 S CB 1.867 64.880 63.200 -0.312 0.000 1.081 387 S HN 0.652 nan 8.310 nan 0.000 0.477 388 E N 0.790 120.798 120.200 -0.320 0.000 2.333 388 E HA -0.141 4.227 4.350 0.031 0.000 0.198 388 E C 0.818 177.263 176.600 -0.259 0.000 1.007 388 E CA 0.514 56.776 56.400 -0.230 0.000 0.845 388 E CB -0.094 29.535 29.700 -0.118 0.000 0.766 388 E HN 0.364 nan 8.360 nan 0.000 0.507 389 R N 0.938 121.265 120.500 -0.289 0.000 2.317 389 R HA 0.205 4.563 4.340 0.031 0.000 0.208 389 R C 0.746 176.851 176.300 -0.326 0.000 0.914 389 R CA 0.755 56.688 56.100 -0.278 0.000 1.060 389 R CB 0.420 30.585 30.300 -0.225 0.000 1.015 389 R HN 0.319 nan 8.270 nan 0.000 0.498 390 G N 1.449 110.007 108.800 -0.404 0.000 2.712 390 G HA2 -0.217 3.762 3.960 0.031 0.000 0.683 390 G HA3 -0.217 3.762 3.960 0.031 0.000 0.683 390 G C -0.349 174.354 174.900 -0.329 0.000 1.320 390 G CA -0.340 44.550 45.100 -0.350 0.000 0.847 390 G HN 0.249 nan 8.290 nan 0.000 0.553 391 I N -1.902 118.532 120.570 -0.226 0.000 2.892 391 I HA 0.945 5.133 4.170 0.031 0.000 0.306 391 I C 0.714 176.749 176.117 -0.136 0.000 1.078 391 I CA -0.717 60.487 61.300 -0.161 0.000 1.032 391 I CB 1.912 39.857 38.000 -0.091 0.000 1.229 391 I HN 1.197 nan 8.210 nan 0.000 0.435 392 G N 1.313 110.004 108.800 -0.182 0.000 2.753 392 G HA2 0.293 4.272 3.960 0.031 0.000 0.285 392 G HA3 0.293 4.272 3.960 0.031 0.000 0.285 392 G C -0.041 174.725 174.900 -0.223 0.000 1.344 392 G CA -0.601 44.287 45.100 -0.354 0.000 1.050 392 G HN 0.843 nan 8.290 nan 0.000 0.532 393 W N -0.146 121.136 121.300 -0.029 0.000 2.350 393 W HA 0.103 4.781 4.660 0.030 0.000 0.289 393 W C 1.065 177.543 176.519 -0.069 0.000 1.215 393 W CA 0.807 58.123 57.345 -0.048 0.000 1.236 393 W CB -0.815 28.607 29.460 -0.063 0.000 1.130 393 W HN 0.572 nan 8.180 nan 0.000 0.541 394 G N -0.539 108.338 108.800 0.129 0.000 2.605 394 G HA2 0.408 4.387 3.960 0.031 0.000 0.296 394 G HA3 0.408 4.387 3.960 0.031 0.000 0.296 394 G C 0.696 175.569 174.900 -0.045 0.000 1.304 394 G CA -0.663 44.451 45.100 0.024 0.000 0.941 394 G HN 0.023 nan 8.290 nan 0.000 0.475 395 R N -0.755 119.674 120.500 -0.118 0.000 2.193 395 R HA -0.006 4.352 4.340 0.031 0.000 0.229 395 R C 0.148 176.398 176.300 -0.084 0.000 1.110 395 R CA 1.521 57.497 56.100 -0.207 0.000 0.988 395 R CB 0.107 30.112 30.300 -0.491 0.000 0.871 395 R HN 0.303 nan 8.270 nan 0.000 0.458 396 D N 0.736 121.108 120.400 -0.047 0.000 2.349 396 D HA 0.050 4.708 4.640 0.031 0.000 0.214 396 D C -0.214 176.054 176.300 -0.053 0.000 1.063 396 D CA 0.205 54.188 54.000 -0.029 0.000 0.847 396 D CB 0.514 41.318 40.800 0.007 0.000 0.933 396 D HN 0.097 nan 8.370 nan 0.000 0.513 397 S N 0.834 116.497 115.700 -0.062 0.000 2.546 397 S HA -0.009 4.479 4.470 0.031 0.000 0.290 397 S C 1.189 175.723 174.600 -0.110 0.000 1.290 397 S CA -0.445 57.697 58.200 -0.096 0.000 1.069 397 S CB 0.562 63.675 63.200 -0.146 0.000 0.846 397 S HN 0.102 nan 8.310 nan 0.000 0.495 398 L N 7.068 128.221 121.223 -0.115 0.000 2.131 398 L HA 0.282 4.640 4.340 0.031 0.000 0.206 398 L C 0.203 177.015 176.870 -0.097 0.000 1.087 398 L CA 1.466 56.245 54.840 -0.102 0.000 0.767 398 L CB 0.033 42.033 42.059 -0.098 0.000 0.917 398 L HN 0.531 nan 8.230 nan 0.000 0.441 399 V N 2.751 122.597 119.914 -0.113 0.000 2.347 399 V HA 0.400 4.538 4.120 0.031 0.000 0.280 399 V C -2.092 173.905 176.094 -0.163 0.000 1.021 399 V CA -1.507 60.728 62.300 -0.109 0.000 0.847 399 V CB 0.812 32.580 31.823 -0.092 0.000 0.990 399 V HN 0.164 nan 8.190 nan 0.000 0.444 400 P HA 0.349 nan 4.420 nan 0.000 0.277 400 P C -1.305 176.003 177.300 0.013 0.000 1.271 400 P CA -0.265 62.786 63.100 -0.082 0.000 0.795 400 P CB 1.165 32.869 31.700 0.007 0.000 1.101 401 D N -0.288 120.048 120.400 -0.106 0.000 2.601 401 D HA 0.093 4.751 4.640 0.031 0.000 0.230 401 D C 0.679 176.560 176.300 -0.697 0.000 1.106 401 D CA -0.661 53.181 54.000 -0.264 0.000 0.873 401 D CB 1.788 42.338 40.800 -0.417 0.000 1.515 401 D HN 0.099 nan 8.370 nan 0.000 0.468 402 L N 2.110 122.653 121.223 -1.133 0.000 2.046 402 L HA -0.117 4.242 4.340 0.031 0.000 0.208 402 L C 1.828 178.353 176.870 -0.574 0.000 1.077 402 L CA 1.805 55.815 54.840 -1.384 0.000 0.747 402 L CB -0.940 40.543 42.059 -0.960 0.000 0.896 402 L HN 0.637 nan 8.230 nan 0.000 0.432 403 N N -1.314 117.203 118.700 -0.305 0.000 2.058 403 N HA -0.206 4.553 4.740 0.031 0.000 0.191 403 N C 1.513 176.986 175.510 -0.061 0.000 1.037 403 N CA 2.194 55.182 53.050 -0.104 0.000 0.848 403 N CB -0.012 38.500 38.487 0.041 0.000 1.021 403 N HN 0.452 nan 8.380 nan 0.000 0.422 404 T N -0.186 114.334 114.554 -0.058 0.000 2.821 404 T HA -0.069 4.300 4.350 0.031 0.000 0.267 404 T C 1.849 176.568 174.700 0.031 0.000 1.046 404 T CA 1.548 63.654 62.100 0.011 0.000 1.139 404 T CB -0.521 68.345 68.868 -0.004 0.000 0.871 404 T HN 0.326 nan 8.240 nan 0.000 0.454 405 T N 1.983 116.506 114.554 -0.052 0.000 2.737 405 T HA 0.023 4.391 4.350 0.031 0.000 0.265 405 T C 2.460 177.238 174.700 0.130 0.000 1.038 405 T CA 1.127 63.260 62.100 0.056 0.000 1.144 405 T CB -0.532 68.360 68.868 0.041 0.000 0.866 405 T HN 0.438 nan 8.240 nan 0.000 0.434 406 A N 1.208 124.015 122.820 -0.021 0.000 1.902 406 A HA -0.000 4.338 4.320 0.031 0.000 0.217 406 A C 2.214 179.800 177.584 0.004 0.000 1.181 406 A CA 1.123 53.150 52.037 -0.018 0.000 0.623 406 A CB -0.831 18.113 19.000 -0.095 0.000 0.818 406 A HN 0.364 nan 8.150 nan 0.000 0.443 407 L N 0.103 121.335 121.223 0.016 0.000 2.083 407 L HA -0.062 4.297 4.340 0.031 0.000 0.209 407 L C 2.466 179.348 176.870 0.021 0.000 1.083 407 L CA 2.030 56.881 54.840 0.019 0.000 0.752 407 L CB -1.097 40.990 42.059 0.046 0.000 0.899 407 L HN 0.352 nan 8.230 nan 0.000 0.433 408 G N -0.933 107.931 108.800 0.106 0.000 2.404 408 G HA2 -0.266 3.712 3.960 0.031 0.000 0.215 408 G HA3 -0.266 3.712 3.960 0.031 0.000 0.215 408 G C 1.578 176.380 174.900 -0.165 0.000 1.174 408 G CA 0.836 45.994 45.100 0.096 0.000 0.780 408 G HN 0.378 nan 8.290 nan 0.000 0.537 409 L N 0.647 121.881 121.223 0.019 0.000 1.989 409 L HA 0.027 4.385 4.340 0.031 0.000 0.211 409 L C 2.716 179.456 176.870 -0.217 0.000 1.071 409 L CA 2.322 57.102 54.840 -0.101 0.000 0.749 409 L CB -0.651 41.457 42.059 0.081 0.000 0.890 409 L HN 0.225 nan 8.230 nan 0.000 0.431 410 R N -1.363 119.034 120.500 -0.170 0.000 2.073 410 R HA -0.146 4.212 4.340 0.031 0.000 0.234 410 R C 2.028 178.200 176.300 -0.214 0.000 1.134 410 R CA 2.112 58.074 56.100 -0.230 0.000 0.952 410 R CB -0.413 29.772 30.300 -0.193 0.000 0.850 410 R HN 0.458 nan 8.270 nan 0.000 0.433 411 T N 1.413 115.887 114.554 -0.133 0.000 2.812 411 T HA -0.039 4.330 4.350 0.031 0.000 0.264 411 T C 1.858 176.552 174.700 -0.010 0.000 1.042 411 T CA 1.034 63.120 62.100 -0.024 0.000 1.140 411 T CB -0.090 68.764 68.868 -0.024 0.000 0.870 411 T HN 0.147 nan 8.240 nan 0.000 0.445 412 L N 0.561 121.650 121.223 -0.223 0.000 2.046 412 L HA -0.050 4.309 4.340 0.031 0.000 0.208 412 L C 2.869 179.642 176.870 -0.161 0.000 1.077 412 L CA 1.334 55.987 54.840 -0.312 0.000 0.747 412 L CB -0.464 41.220 42.059 -0.624 0.000 0.896 412 L HN 0.148 nan 8.230 nan 0.000 0.432 413 R N 0.098 120.414 120.500 -0.307 0.000 2.081 413 R HA -0.232 4.127 4.340 0.031 0.000 0.235 413 R C 2.320 178.205 176.300 -0.691 0.000 1.131 413 R CA 1.785 57.614 56.100 -0.452 0.000 0.960 413 R CB -0.232 29.749 30.300 -0.533 0.000 0.856 413 R HN 0.149 nan 8.270 nan 0.000 0.436 414 M N -0.008 119.298 119.600 -0.490 0.000 2.279 414 M HA -0.128 4.371 4.480 0.031 0.000 0.264 414 M C 0.531 176.690 176.300 -0.235 0.000 1.062 414 M CA 1.857 56.925 55.300 -0.387 0.000 1.099 414 M CB 0.055 32.525 32.600 -0.217 0.000 1.394 414 M HN 0.218 nan 8.290 nan 0.000 0.426 415 H N -0.860 118.192 119.070 -0.030 0.000 2.507 415 H HA 0.504 5.078 4.556 0.029 0.000 0.294 415 H C 1.108 176.423 175.328 -0.021 0.000 1.064 415 H CA 0.411 56.514 56.048 0.092 0.000 1.138 415 H CB -0.223 29.657 29.762 0.197 0.000 1.515 415 H HN 0.492 nan 8.280 nan 0.000 0.547 416 G N -0.350 108.422 108.800 -0.046 0.000 2.159 416 G HA2 -0.322 3.656 3.960 0.031 0.000 0.256 416 G HA3 -0.322 3.656 3.960 0.031 0.000 0.256 416 G C -0.226 174.507 174.900 -0.278 0.000 0.977 416 G CA -0.304 44.712 45.100 -0.140 0.000 0.652 416 G HN 0.391 nan 8.290 nan 0.000 0.531 417 Y N 0.151 120.280 120.300 -0.285 0.000 2.304 417 Y HA 0.460 5.028 4.550 0.030 0.000 0.327 417 Y C 0.892 176.616 175.900 -0.293 0.000 1.209 417 Y CA -0.363 57.473 58.100 -0.440 0.000 1.299 417 Y CB 0.679 38.701 38.460 -0.731 0.000 1.249 417 Y HN 0.127 nan 8.280 nan 0.000 0.519 418 N N 2.479 121.148 118.700 -0.052 0.000 2.415 418 N HA 0.325 5.084 4.740 0.031 0.000 0.246 418 N C -1.557 174.032 175.510 0.131 0.000 1.078 418 N CA -0.266 52.832 53.050 0.080 0.000 0.942 418 N CB 0.185 38.753 38.487 0.135 0.000 1.140 418 N HN 0.454 nan 8.380 nan 0.000 0.501 419 V N 0.528 120.469 119.914 0.046 0.000 2.876 419 V HA 0.680 4.819 4.120 0.031 0.000 0.312 419 V C 0.047 176.210 176.094 0.115 0.000 1.085 419 V CA -1.102 61.228 62.300 0.050 0.000 0.945 419 V CB 1.382 33.043 31.823 -0.270 0.000 1.017 419 V HN 0.480 nan 8.190 nan 0.000 0.428 420 S N 1.530 117.367 115.700 0.229 0.000 2.508 420 S HA 0.409 4.898 4.470 0.031 0.000 0.284 420 S C 1.296 175.985 174.600 0.148 0.000 1.192 420 S CA 0.086 58.385 58.200 0.166 0.000 1.070 420 S CB 1.556 64.854 63.200 0.164 0.000 1.004 420 S HN 1.597 nan 8.310 nan 0.000 0.493 421 S N 2.902 118.641 115.700 0.066 0.000 2.481 421 S HA -0.059 4.430 4.470 0.031 0.000 0.231 421 S C 0.904 175.551 174.600 0.078 0.000 0.996 421 S CA 0.641 58.869 58.200 0.047 0.000 0.942 421 S CB -0.354 62.840 63.200 -0.010 0.000 0.768 421 S HN 0.775 nan 8.310 nan 0.000 0.520 422 D N 1.844 122.289 120.400 0.075 0.000 2.311 422 D HA -0.032 4.627 4.640 0.031 0.000 0.212 422 D C 1.769 178.090 176.300 0.035 0.000 0.972 422 D CA 0.561 54.590 54.000 0.049 0.000 0.887 422 D CB -0.331 40.489 40.800 0.033 0.000 0.915 422 D HN 0.369 nan 8.370 nan 0.000 0.497 423 V N 0.823 120.780 119.914 0.072 0.000 2.720 423 V HA -0.204 3.935 4.120 0.031 0.000 0.256 423 V C 2.443 178.582 176.094 0.074 0.000 1.082 423 V CA 0.921 63.234 62.300 0.021 0.000 1.101 423 V CB -0.447 31.398 31.823 0.037 0.000 0.693 423 V HN 0.272 nan 8.190 nan 0.000 0.479 424 L N 0.053 121.362 121.223 0.143 0.000 2.291 424 L HA -0.054 4.304 4.340 0.031 0.000 0.214 424 L C 2.234 179.215 176.870 0.185 0.000 1.120 424 L CA 0.787 55.785 54.840 0.263 0.000 0.799 424 L CB -0.656 41.555 42.059 0.253 0.000 0.925 424 L HN 0.361 nan 8.230 nan 0.000 0.446 425 N N 0.438 119.152 118.700 0.023 0.000 2.443 425 N HA -0.146 4.612 4.740 0.031 0.000 0.184 425 N C 1.344 176.710 175.510 -0.240 0.000 1.037 425 N CA 0.766 53.754 53.050 -0.104 0.000 0.896 425 N CB -0.373 38.065 38.487 -0.082 0.000 0.959 425 N HN 0.405 nan 8.380 nan 0.000 0.442 426 N N -0.044 118.450 118.700 -0.344 0.000 2.519 426 N HA -0.079 4.679 4.740 0.031 0.000 0.186 426 N C 0.232 175.146 175.510 -0.994 0.000 1.062 426 N CA 0.705 53.355 53.050 -0.667 0.000 0.910 426 N CB -0.043 37.897 38.487 -0.912 0.000 0.958 426 N HN 0.335 nan 8.380 nan 0.000 0.445 427 F N 0.067 119.751 119.950 -0.443 0.000 2.724 427 F HA 0.312 4.858 4.527 0.031 0.000 0.310 427 F C 0.647 175.687 175.800 -1.267 0.000 1.107 427 F CA -0.460 56.923 58.000 -1.027 0.000 1.218 427 F CB 0.656 39.310 39.000 -0.577 0.000 1.042 427 F HN -0.294 nan 8.300 nan 0.000 0.540 428 K N 1.878 121.804 120.400 -0.790 0.000 2.244 428 K HA 0.261 4.600 4.320 0.031 0.000 0.260 428 K C -0.747 175.665 176.600 -0.313 0.000 0.951 428 K CA -0.679 55.037 56.287 -0.951 0.000 0.826 428 K CB 1.188 33.018 32.500 -1.116 0.000 1.108 428 K HN 0.072 nan 8.250 nan 0.000 0.433 429 D N 2.172 122.464 120.400 -0.181 0.000 2.511 429 D HA 0.063 4.722 4.640 0.031 0.000 0.276 429 D C 0.565 176.818 176.300 -0.079 0.000 1.220 429 D CA -0.195 53.792 54.000 -0.021 0.000 1.077 429 D CB 0.457 41.282 40.800 0.042 0.000 1.126 429 D HN 0.425 nan 8.370 nan 0.000 0.583 430 E N -0.883 119.291 120.200 -0.043 0.000 2.118 430 E HA -0.114 4.255 4.350 0.031 0.000 0.195 430 E C 0.919 177.504 176.600 -0.025 0.000 0.992 430 E CA 1.166 57.545 56.400 -0.036 0.000 0.804 430 E CB -0.302 29.384 29.700 -0.023 0.000 0.741 430 E HN 0.366 nan 8.360 nan 0.000 0.458 431 N N -0.463 118.229 118.700 -0.013 0.000 2.370 431 N HA 0.094 4.853 4.740 0.031 0.000 0.198 431 N C 0.757 176.282 175.510 0.025 0.000 1.156 431 N CA 0.829 53.890 53.050 0.018 0.000 0.839 431 N CB 0.965 39.480 38.487 0.046 0.000 0.989 431 N HN 0.261 nan 8.380 nan 0.000 0.468 432 G N 0.972 109.749 108.800 -0.038 0.000 2.162 432 G HA2 -0.333 3.645 3.960 0.031 0.000 0.260 432 G HA3 -0.333 3.645 3.960 0.031 0.000 0.260 432 G C 0.155 175.021 174.900 -0.055 0.000 0.976 432 G CA -0.066 45.009 45.100 -0.042 0.000 0.655 432 G HN 0.347 nan 8.290 nan 0.000 0.533 433 R N -0.942 119.490 120.500 -0.113 0.000 2.500 433 R HA 0.656 5.014 4.340 0.031 0.000 0.275 433 R C -0.303 175.630 176.300 -0.611 0.000 1.051 433 R CA -0.405 55.525 56.100 -0.283 0.000 1.088 433 R CB 0.616 30.924 30.300 0.012 0.000 1.063 433 R HN 0.129 nan 8.270 nan 0.000 0.511 434 F N 1.811 121.000 119.950 -1.268 0.000 2.458 434 F HA 0.429 4.974 4.527 0.032 0.000 0.330 434 F C 0.033 175.591 175.800 -0.403 0.000 1.082 434 F CA -0.753 56.775 58.000 -0.787 0.000 0.995 434 F CB 1.114 39.644 39.000 -0.784 0.000 1.170 434 F HN 0.373 nan 8.300 nan 0.000 0.478 435 F N -1.470 118.470 119.950 -0.016 0.000 2.598 435 F HA 0.610 5.155 4.527 0.031 0.000 0.327 435 F C 0.451 176.279 175.800 0.047 0.000 1.057 435 F CA -0.971 57.037 58.000 0.014 0.000 0.957 435 F CB 0.861 39.864 39.000 0.005 0.000 1.278 435 F HN 0.285 nan 8.300 nan 0.000 0.484 436 S N -0.347 115.469 115.700 0.195 0.000 2.406 436 S HA 0.125 4.614 4.470 0.031 0.000 0.224 436 S C 0.343 175.000 174.600 0.096 0.000 1.030 436 S CA 0.866 59.071 58.200 0.008 0.000 0.958 436 S CB -0.091 63.092 63.200 -0.028 0.000 0.811 436 S HN 0.752 nan 8.310 nan 0.000 0.489 437 S N -1.149 114.743 115.700 0.321 0.000 2.542 437 S HA 0.589 5.077 4.470 0.031 0.000 0.276 437 S C 0.159 174.917 174.600 0.262 0.000 1.148 437 S CA -0.140 58.244 58.200 0.307 0.000 0.886 437 S CB 1.144 64.387 63.200 0.072 0.000 1.109 437 S HN 0.167 nan 8.310 nan 0.000 0.458 438 A N 2.631 125.574 122.820 0.205 0.000 2.121 438 A HA 0.233 4.571 4.320 0.031 0.000 0.218 438 A C 1.678 179.203 177.584 -0.098 0.000 1.154 438 A CA 1.506 53.516 52.037 -0.046 0.000 0.679 438 A CB -0.885 18.094 19.000 -0.035 0.000 0.795 438 A HN 1.285 nan 8.150 nan 0.000 0.458 439 G N -0.885 107.880 108.800 -0.059 0.000 3.233 439 G HA2 0.370 4.349 3.960 0.031 0.000 0.227 439 G HA3 0.370 4.349 3.960 0.031 0.000 0.227 439 G C 0.333 175.205 174.900 -0.047 0.000 1.175 439 G CA 0.444 45.481 45.100 -0.105 0.000 0.781 439 G HN 0.753 nan 8.290 nan 0.000 0.542 440 Q N -2.167 117.622 119.800 -0.019 0.000 2.648 440 Q HA 0.433 4.792 4.340 0.031 0.000 0.300 440 Q C 0.230 176.249 176.000 0.033 0.000 0.954 440 Q CA -0.215 55.616 55.803 0.047 0.000 0.757 440 Q CB 0.736 29.521 28.738 0.079 0.000 1.482 440 Q HN 0.045 nan 8.270 nan 0.000 0.437 441 T N -3.646 110.986 114.554 0.129 0.000 3.034 441 T HA 0.081 4.449 4.350 0.031 0.000 0.248 441 T C 0.773 175.572 174.700 0.164 0.000 1.040 441 T CA 0.607 62.772 62.100 0.108 0.000 1.107 441 T CB -0.450 68.481 68.868 0.105 0.000 0.932 441 T HN 0.724 nan 8.240 nan 0.000 0.474 442 H N 1.189 120.328 119.070 0.114 0.000 2.629 442 H HA 0.562 5.136 4.556 0.031 0.000 0.357 442 H C -0.862 174.571 175.328 0.174 0.000 1.121 442 H CA -0.791 55.344 56.048 0.145 0.000 1.406 442 H CB 0.466 30.315 29.762 0.144 0.000 1.456 442 H HN 0.033 nan 8.280 nan 0.000 0.579 443 V N 3.505 123.537 119.914 0.196 0.000 2.394 443 V HA 0.126 4.265 4.120 0.031 0.000 0.282 443 V C 0.257 176.469 176.094 0.196 0.000 1.031 443 V CA -0.697 61.694 62.300 0.153 0.000 0.881 443 V CB 1.104 33.066 31.823 0.233 0.000 0.982 443 V HN 0.778 nan 8.190 nan 0.000 0.451 444 E N 3.204 123.479 120.200 0.126 0.000 2.200 444 E HA 0.173 4.542 4.350 0.031 0.000 0.283 444 E C 0.605 177.304 176.600 0.165 0.000 1.015 444 E CA -0.584 55.930 56.400 0.189 0.000 0.819 444 E CB 1.810 31.617 29.700 0.180 0.000 1.081 444 E HN 0.558 nan 8.360 nan 0.000 0.397 445 L N 4.286 125.638 121.223 0.215 0.000 2.043 445 L HA -0.227 4.132 4.340 0.031 0.000 0.212 445 L C 2.264 179.215 176.870 0.136 0.000 1.075 445 L CA 2.013 56.981 54.840 0.213 0.000 0.752 445 L CB -0.309 41.876 42.059 0.211 0.000 0.891 445 L HN 0.446 nan 8.230 nan 0.000 0.432 446 R N -0.036 120.547 120.500 0.139 0.000 2.105 446 R HA -0.151 4.208 4.340 0.031 0.000 0.239 446 R C 2.526 178.878 176.300 0.087 0.000 1.135 446 R CA 1.853 58.027 56.100 0.122 0.000 0.967 446 R CB -0.983 29.421 30.300 0.173 0.000 0.861 446 R HN 0.718 nan 8.270 nan 0.000 0.442 447 S N -1.011 114.730 115.700 0.069 0.000 2.399 447 S HA -0.092 4.397 4.470 0.031 0.000 0.231 447 S C 1.965 176.540 174.600 -0.042 0.000 1.022 447 S CA 1.331 59.528 58.200 -0.006 0.000 0.983 447 S CB -0.537 62.635 63.200 -0.047 0.000 0.803 447 S HN 0.120 nan 8.310 nan 0.000 0.480 448 V N 1.462 121.357 119.914 -0.033 0.000 2.591 448 V HA -0.050 4.089 4.120 0.031 0.000 0.249 448 V C 2.644 178.742 176.094 0.007 0.000 1.053 448 V CA 1.202 63.466 62.300 -0.061 0.000 1.068 448 V CB -0.685 31.007 31.823 -0.218 0.000 0.689 448 V HN 0.437 nan 8.190 nan 0.000 0.462 449 V N 0.959 120.894 119.914 0.036 0.000 2.255 449 V HA -0.325 3.814 4.120 0.031 0.000 0.247 449 V C 2.085 178.229 176.094 0.083 0.000 1.051 449 V CA 2.708 65.043 62.300 0.059 0.000 1.018 449 V CB -0.971 30.887 31.823 0.059 0.000 0.641 449 V HN 0.631 nan 8.190 nan 0.000 0.445 450 N N -0.291 118.436 118.700 0.045 0.000 2.309 450 N HA -0.129 4.630 4.740 0.031 0.000 0.182 450 N C 1.671 177.168 175.510 -0.020 0.000 1.018 450 N CA 0.813 53.875 53.050 0.020 0.000 0.876 450 N CB -0.140 38.355 38.487 0.014 0.000 0.972 450 N HN 0.349 nan 8.380 nan 0.000 0.434 451 L N 0.271 121.464 121.223 -0.050 0.000 2.017 451 L HA -0.095 4.264 4.340 0.031 0.000 0.208 451 L C 1.814 178.637 176.870 -0.078 0.000 1.073 451 L CA 1.543 56.309 54.840 -0.123 0.000 0.745 451 L CB -0.716 41.213 42.059 -0.217 0.000 0.894 451 L HN 0.107 nan 8.230 nan 0.000 0.432 452 F N 0.379 120.256 119.950 -0.122 0.000 2.102 452 F HA -0.210 4.335 4.527 0.030 0.000 0.298 452 F C 2.566 178.319 175.800 -0.078 0.000 1.105 452 F CA 1.714 59.661 58.000 -0.088 0.000 1.239 452 F CB -0.234 38.732 39.000 -0.057 0.000 0.991 452 F HN 0.007 nan 8.300 nan 0.000 0.474 453 R N 0.065 120.654 120.500 0.150 0.000 2.096 453 R HA -0.138 4.221 4.340 0.031 0.000 0.235 453 R C 2.432 178.637 176.300 -0.157 0.000 1.127 453 R CA 1.188 57.302 56.100 0.023 0.000 0.968 453 R CB -0.828 29.487 30.300 0.025 0.000 0.861 453 R HN 0.401 nan 8.270 nan 0.000 0.440 454 A N 0.377 123.104 122.820 -0.155 0.000 1.930 454 A HA -0.122 4.217 4.320 0.031 0.000 0.217 454 A C 2.172 179.609 177.584 -0.246 0.000 1.175 454 A CA 1.511 53.428 52.037 -0.200 0.000 0.627 454 A CB -0.398 18.516 19.000 -0.143 0.000 0.815 454 A HN 0.201 nan 8.150 nan 0.000 0.443 455 S N -0.013 115.526 115.700 -0.269 0.000 2.419 455 S HA -0.141 4.348 4.470 0.031 0.000 0.233 455 S C 1.479 175.914 174.600 -0.276 0.000 1.016 455 S CA 1.225 59.256 58.200 -0.282 0.000 0.974 455 S CB -0.434 62.559 63.200 -0.346 0.000 0.786 455 S HN 0.565 nan 8.310 nan 0.000 0.492 456 D N 0.937 121.144 120.400 -0.322 0.000 2.221 456 D HA -0.062 4.596 4.640 0.031 0.000 0.204 456 D C 0.873 177.102 176.300 -0.119 0.000 0.982 456 D CA 0.811 54.699 54.000 -0.187 0.000 0.857 456 D CB -0.113 40.600 40.800 -0.145 0.000 0.934 456 D HN 0.261 nan 8.370 nan 0.000 0.475 457 L N 0.268 121.321 121.223 -0.283 0.000 2.728 457 L HA 0.273 4.632 4.340 0.031 0.000 0.235 457 L C 0.501 177.264 176.870 -0.178 0.000 1.197 457 L CA -0.212 54.442 54.840 -0.310 0.000 0.992 457 L CB -0.431 41.291 42.059 -0.561 0.000 1.263 457 L HN -0.181 nan 8.230 nan 0.000 0.484 458 A N -0.465 122.329 122.820 -0.044 0.000 2.531 458 A HA 0.298 4.636 4.320 0.031 0.000 0.236 458 A C -0.138 177.591 177.584 0.241 0.000 1.062 458 A CA 0.139 52.166 52.037 -0.017 0.000 0.760 458 A CB -0.069 18.959 19.000 0.046 0.000 0.995 458 A HN 0.111 nan 8.150 nan 0.000 0.501 459 F N 1.243 121.288 119.950 0.158 0.000 2.411 459 F HA 0.515 5.060 4.527 0.030 0.000 0.324 459 F C -1.955 173.895 175.800 0.084 0.000 1.086 459 F CA -2.768 55.335 58.000 0.172 0.000 1.028 459 F CB 0.015 39.119 39.000 0.173 0.000 1.284 459 F HN 0.276 nan 8.300 nan 0.000 0.501 460 P HA 0.062 nan 4.420 nan 0.000 0.266 460 P C -0.346 176.997 177.300 0.073 0.000 1.195 460 P CA 0.580 63.745 63.100 0.108 0.000 0.768 460 P CB 0.272 31.989 31.700 0.028 0.000 0.838 461 D N -0.209 120.226 120.400 0.057 0.000 2.945 461 D HA -0.176 4.482 4.640 0.031 0.000 0.225 461 D C -0.548 175.781 176.300 0.047 0.000 1.158 461 D CA 0.997 55.020 54.000 0.040 0.000 0.805 461 D CB -1.260 39.550 40.800 0.017 0.000 1.098 461 D HN 0.598 nan 8.370 nan 0.000 0.426 462 E N 0.222 120.461 120.200 0.064 0.000 1.963 462 E HA 0.174 4.542 4.350 0.031 0.000 0.274 462 E C 1.330 177.958 176.600 0.047 0.000 1.061 462 E CA -0.318 56.114 56.400 0.054 0.000 0.847 462 E CB 0.701 30.429 29.700 0.047 0.000 1.083 462 E HN 0.193 nan 8.360 nan 0.000 0.402 463 R N 1.812 122.340 120.500 0.046 0.000 2.120 463 R HA -0.158 4.201 4.340 0.031 0.000 0.234 463 R C 2.072 178.413 176.300 0.067 0.000 1.123 463 R CA 1.286 57.416 56.100 0.051 0.000 0.975 463 R CB -0.160 30.165 30.300 0.042 0.000 0.866 463 R HN 0.387 nan 8.270 nan 0.000 0.446 464 A N 1.216 124.077 122.820 0.068 0.000 1.933 464 A HA -0.134 4.204 4.320 0.031 0.000 0.218 464 A C 2.141 179.786 177.584 0.101 0.000 1.175 464 A CA 1.198 53.299 52.037 0.106 0.000 0.628 464 A CB -0.248 18.809 19.000 0.095 0.000 0.814 464 A HN 0.099 nan 8.150 nan 0.000 0.444 465 M N -0.451 119.173 119.600 0.040 0.000 2.132 465 M HA -0.115 4.384 4.480 0.031 0.000 0.263 465 M C 1.812 178.114 176.300 0.003 0.000 1.065 465 M CA 1.869 57.163 55.300 -0.011 0.000 1.122 465 M CB -1.456 31.121 32.600 -0.039 0.000 1.365 465 M HN 0.532 nan 8.290 nan 0.000 0.411 466 D N 0.872 121.295 120.400 0.038 0.000 2.104 466 D HA -0.191 4.467 4.640 0.031 0.000 0.194 466 D C 1.383 177.738 176.300 0.091 0.000 0.994 466 D CA 1.572 55.603 54.000 0.053 0.000 0.830 466 D CB 0.017 40.853 40.800 0.059 0.000 0.959 466 D HN 0.203 nan 8.370 nan 0.000 0.452 467 D N -0.131 120.352 120.400 0.138 0.000 2.117 467 D HA -0.109 4.549 4.640 0.031 0.000 0.197 467 D C 2.023 178.502 176.300 0.298 0.000 0.987 467 D CA 1.468 55.611 54.000 0.240 0.000 0.829 467 D CB -0.646 40.315 40.800 0.269 0.000 0.961 467 D HN 0.329 nan 8.370 nan 0.000 0.460 468 A N 0.854 123.752 122.820 0.129 0.000 1.883 468 A HA -0.223 4.116 4.320 0.031 0.000 0.217 468 A C 2.217 179.738 177.584 -0.106 0.000 1.186 468 A CA 1.783 53.649 52.037 -0.286 0.000 0.624 468 A CB -0.532 18.265 19.000 -0.340 0.000 0.822 468 A HN 0.130 nan 8.150 nan 0.000 0.444 469 R N -0.425 120.049 120.500 -0.043 0.000 2.090 469 R HA -0.065 4.293 4.340 0.031 0.000 0.228 469 R C 2.081 178.449 176.300 0.113 0.000 1.110 469 R CA 1.505 57.594 56.100 -0.018 0.000 0.973 469 R CB -0.180 30.052 30.300 -0.113 0.000 0.869 469 R HN 0.512 nan 8.270 nan 0.000 0.440 470 K N -0.575 119.905 120.400 0.133 0.000 2.147 470 K HA -0.173 4.166 4.320 0.031 0.000 0.205 470 K C 1.727 178.459 176.600 0.220 0.000 1.049 470 K CA 1.606 57.992 56.287 0.166 0.000 0.936 470 K CB -0.169 32.429 32.500 0.165 0.000 0.722 470 K HN 0.167 nan 8.250 nan 0.000 0.446 471 F N 0.752 120.782 119.950 0.132 0.000 2.149 471 F HA -0.016 4.530 4.527 0.031 0.000 0.294 471 F C 2.083 177.963 175.800 0.132 0.000 1.095 471 F CA 1.138 59.235 58.000 0.161 0.000 1.276 471 F CB -0.162 38.991 39.000 0.255 0.000 1.023 471 F HN -0.071 nan 8.300 nan 0.000 0.480 472 A N -0.084 122.748 122.820 0.020 0.000 1.929 472 A HA -0.146 4.192 4.320 0.031 0.000 0.216 472 A C 2.181 179.775 177.584 0.017 0.000 1.176 472 A CA 1.570 53.570 52.037 -0.062 0.000 0.628 472 A CB -0.928 18.154 19.000 0.136 0.000 0.816 472 A HN 0.582 nan 8.150 nan 0.000 0.444 473 E N -0.173 120.119 120.200 0.152 0.000 2.031 473 E HA -0.141 4.228 4.350 0.031 0.000 0.193 473 E C -0.733 175.849 176.600 -0.030 0.000 0.994 473 E CA 1.386 57.841 56.400 0.090 0.000 0.800 473 E CB -0.535 29.312 29.700 0.246 0.000 0.752 473 E HN 0.405 nan 8.360 nan 0.000 0.447 474 P HA -0.168 nan 4.420 nan 0.000 0.216 474 P C 0.836 178.087 177.300 -0.081 0.000 1.150 474 P CA 1.148 64.222 63.100 -0.043 0.000 0.837 474 P CB -0.210 31.477 31.700 -0.021 0.000 0.786 475 Y N 0.226 120.361 120.300 -0.274 0.000 2.181 475 Y HA -0.180 4.389 4.550 0.031 0.000 0.288 475 Y C 2.117 177.905 175.900 -0.187 0.000 1.146 475 Y CA 1.480 59.406 58.100 -0.290 0.000 1.164 475 Y CB -0.724 37.416 38.460 -0.534 0.000 0.982 475 Y HN -0.204 nan 8.280 nan 0.000 0.515 476 L N -0.614 120.616 121.223 0.012 0.000 2.109 476 L HA -0.160 4.199 4.340 0.031 0.000 0.207 476 L C 2.498 179.285 176.870 -0.139 0.000 1.086 476 L CA 1.160 55.959 54.840 -0.068 0.000 0.760 476 L CB -0.478 41.471 42.059 -0.183 0.000 0.910 476 L HN 0.133 nan 8.230 nan 0.000 0.437 477 R N -0.362 120.054 120.500 -0.140 0.000 2.092 477 R HA -0.143 4.215 4.340 0.031 0.000 0.231 477 R C 2.241 178.481 176.300 -0.101 0.000 1.119 477 R CA 0.844 56.870 56.100 -0.124 0.000 0.970 477 R CB -0.228 30.014 30.300 -0.096 0.000 0.864 477 R HN 0.267 nan 8.270 nan 0.000 0.440 478 E N 1.103 121.231 120.200 -0.120 0.000 2.077 478 E HA -0.163 4.206 4.350 0.031 0.000 0.193 478 E C 1.847 178.369 176.600 -0.130 0.000 0.989 478 E CA 1.500 57.822 56.400 -0.130 0.000 0.800 478 E CB -0.007 29.581 29.700 -0.188 0.000 0.746 478 E HN 0.305 nan 8.360 nan 0.000 0.452 479 A N 0.905 123.627 122.820 -0.163 0.000 1.930 479 A HA -0.110 4.228 4.320 0.031 0.000 0.217 479 A C 2.440 180.006 177.584 -0.031 0.000 1.175 479 A CA 0.990 52.961 52.037 -0.110 0.000 0.627 479 A CB -0.607 18.337 19.000 -0.093 0.000 0.815 479 A HN 0.271 nan 8.150 nan 0.000 0.443 480 L N -1.022 120.167 121.223 -0.057 0.000 2.093 480 L HA -0.158 4.201 4.340 0.031 0.000 0.208 480 L C 2.881 179.847 176.870 0.160 0.000 1.085 480 L CA 1.103 55.941 54.840 -0.003 0.000 0.755 480 L CB -0.350 41.580 42.059 -0.216 0.000 0.904 480 L HN 0.436 nan 8.230 nan 0.000 0.435 481 A N -1.917 120.938 122.820 0.057 0.000 2.178 481 A HA -0.004 4.334 4.320 0.031 0.000 0.211 481 A C 1.987 179.593 177.584 0.038 0.000 1.157 481 A CA 1.378 53.451 52.037 0.060 0.000 0.780 481 A CB -0.132 18.878 19.000 0.017 0.000 0.828 481 A HN 0.351 nan 8.150 nan 0.000 0.476 482 T N -2.349 112.218 114.554 0.021 0.000 3.010 482 T HA 0.122 4.491 4.350 0.031 0.000 0.253 482 T C 1.557 176.261 174.700 0.007 0.000 0.939 482 T CA 0.952 63.052 62.100 0.001 0.000 0.910 482 T CB 0.325 69.177 68.868 -0.028 0.000 1.226 482 T HN 0.352 nan 8.240 nan 0.000 0.508 483 K N 0.736 121.148 120.400 0.020 0.000 2.511 483 K HA 0.412 4.751 4.320 0.031 0.000 0.206 483 K C -0.110 176.523 176.600 0.055 0.000 1.333 483 K CA 0.145 56.446 56.287 0.023 0.000 0.957 483 K CB 0.439 32.941 32.500 0.002 0.000 1.172 483 K HN 0.228 nan 8.250 nan 0.000 0.547 484 I N 1.859 122.492 120.570 0.104 0.000 2.353 484 I HA 0.252 4.441 4.170 0.031 0.000 0.293 484 I C -0.320 175.896 176.117 0.164 0.000 0.992 484 I CA -0.854 60.543 61.300 0.161 0.000 1.268 484 I CB 1.899 40.041 38.000 0.236 0.000 1.387 484 I HN -0.071 nan 8.210 nan 0.000 0.478 485 S N 3.507 119.253 115.700 0.077 0.000 2.516 485 S HA 0.015 4.503 4.470 0.031 0.000 0.282 485 S C 1.335 175.829 174.600 -0.178 0.000 1.286 485 S CA -0.352 57.826 58.200 -0.037 0.000 1.066 485 S CB 0.990 64.170 63.200 -0.033 0.000 0.884 485 S HN 0.709 nan 8.310 nan 0.000 0.491 486 T N 2.585 116.856 114.554 -0.471 0.000 2.803 486 T HA -0.156 4.212 4.350 0.031 0.000 0.269 486 T C 1.168 175.548 174.700 -0.533 0.000 1.052 486 T CA 1.382 62.863 62.100 -1.030 0.000 1.136 486 T CB -0.288 68.115 68.868 -0.776 0.000 0.864 486 T HN 0.538 nan 8.240 nan 0.000 0.467 487 N N 2.234 120.785 118.700 -0.248 0.000 3.209 487 N HA 0.120 4.879 4.740 0.031 0.000 0.309 487 N C -0.672 174.810 175.510 -0.048 0.000 1.384 487 N CA -0.246 52.730 53.050 -0.122 0.000 1.173 487 N CB -0.035 38.393 38.487 -0.097 0.000 1.460 487 N HN 0.415 nan 8.380 nan 0.000 0.534 488 T N -3.256 111.301 114.554 0.006 0.000 2.864 488 T HA 0.350 4.718 4.350 0.031 0.000 0.299 488 T C 0.869 175.611 174.700 0.070 0.000 1.166 488 T CA -0.835 61.288 62.100 0.039 0.000 1.007 488 T CB 1.622 70.524 68.868 0.056 0.000 1.219 488 T HN -0.015 nan 8.240 nan 0.000 0.506 489 K N -0.288 120.128 120.400 0.027 0.000 2.097 489 K HA -0.009 4.330 4.320 0.031 0.000 0.206 489 K C 1.914 178.532 176.600 0.031 0.000 1.049 489 K CA 0.872 57.162 56.287 0.006 0.000 0.933 489 K CB -0.354 32.111 32.500 -0.059 0.000 0.717 489 K HN 0.385 nan 8.250 nan 0.000 0.442 490 L N 0.634 121.879 121.223 0.037 0.000 2.046 490 L HA -0.126 4.233 4.340 0.031 0.000 0.208 490 L C 1.996 178.919 176.870 0.088 0.000 1.077 490 L CA 1.470 56.334 54.840 0.039 0.000 0.747 490 L CB -0.500 41.579 42.059 0.033 0.000 0.896 490 L HN 0.069 nan 8.230 nan 0.000 0.432 491 F N 0.458 120.411 119.950 0.005 0.000 2.102 491 F HA -0.250 4.295 4.527 0.030 0.000 0.298 491 F C 2.598 178.419 175.800 0.036 0.000 1.105 491 F CA 2.249 60.258 58.000 0.015 0.000 1.239 491 F CB -0.206 38.799 39.000 0.007 0.000 0.991 491 F HN 0.097 nan 8.300 nan 0.000 0.474 492 K N 0.397 120.953 120.400 0.260 0.000 2.057 492 K HA -0.259 4.079 4.320 0.031 0.000 0.207 492 K C 2.221 178.891 176.600 0.117 0.000 1.049 492 K CA 1.820 58.221 56.287 0.190 0.000 0.931 492 K CB -0.401 32.192 32.500 0.154 0.000 0.714 492 K HN 0.468 nan 8.250 nan 0.000 0.440 493 E N 0.583 120.838 120.200 0.092 0.000 2.031 493 E HA -0.192 4.177 4.350 0.031 0.000 0.193 493 E C 2.012 178.679 176.600 0.111 0.000 0.994 493 E CA 1.476 57.953 56.400 0.128 0.000 0.800 493 E CB -0.071 29.702 29.700 0.120 0.000 0.752 493 E HN 0.388 nan 8.360 nan 0.000 0.447 494 I N 0.830 121.398 120.570 -0.004 0.000 2.439 494 I HA -0.191 3.997 4.170 0.031 0.000 0.251 494 I C 2.613 178.634 176.117 -0.159 0.000 1.139 494 I CA 0.917 62.167 61.300 -0.085 0.000 1.438 494 I CB -0.309 37.605 38.000 -0.143 0.000 1.085 494 I HN 0.261 nan 8.210 nan 0.000 0.427 495 E N 0.841 120.903 120.200 -0.230 0.000 2.085 495 E HA -0.304 4.065 4.350 0.031 0.000 0.194 495 E C 2.251 178.849 176.600 -0.003 0.000 0.994 495 E CA 1.554 57.825 56.400 -0.214 0.000 0.801 495 E CB -0.193 29.368 29.700 -0.232 0.000 0.743 495 E HN 0.514 nan 8.360 nan 0.000 0.453 496 Y N 0.440 120.756 120.300 0.027 0.000 2.181 496 Y HA -0.213 4.357 4.550 0.033 0.000 0.288 496 Y C 2.140 178.114 175.900 0.123 0.000 1.146 496 Y CA 1.424 59.613 58.100 0.148 0.000 1.164 496 Y CB -0.167 38.381 38.460 0.146 0.000 0.982 496 Y HN -0.094 nan 8.280 nan 0.000 0.515 497 V N -0.051 119.988 119.914 0.208 0.000 2.324 497 V HA -0.355 3.783 4.120 0.031 0.000 0.250 497 V C 2.341 178.387 176.094 -0.081 0.000 1.060 497 V CA 2.212 64.578 62.300 0.110 0.000 1.042 497 V CB -0.888 30.955 31.823 0.034 0.000 0.650 497 V HN 0.565 nan 8.190 nan 0.000 0.450 498 V N -3.155 116.602 119.914 -0.263 0.000 2.992 498 V HA 0.115 4.253 4.120 0.031 0.000 0.250 498 V C 2.068 178.047 176.094 -0.193 0.000 1.090 498 V CA 0.995 63.078 62.300 -0.362 0.000 1.101 498 V CB -0.290 31.264 31.823 -0.448 0.000 0.743 498 V HN 0.448 nan 8.190 nan 0.000 0.468 499 E N 0.013 120.081 120.200 -0.220 0.000 2.250 499 E HA 0.094 4.462 4.350 0.031 0.000 0.192 499 E C -0.008 176.205 176.600 -0.646 0.000 0.986 499 E CA 0.817 57.003 56.400 -0.357 0.000 0.849 499 E CB 0.137 29.655 29.700 -0.304 0.000 0.797 499 E HN 0.810 nan 8.360 nan 0.000 0.482 500 Y N 1.288 121.340 120.300 -0.413 0.000 2.562 500 Y HA 0.244 4.814 4.550 0.033 0.000 0.363 500 Y C -2.147 173.579 175.900 -0.291 0.000 0.991 500 Y CA -2.316 55.478 58.100 -0.511 0.000 1.121 500 Y CB 0.928 38.715 38.460 -1.122 0.000 1.159 500 Y HN -0.038 nan 8.280 nan 0.000 0.651 501 P HA -0.111 nan 4.420 nan 0.000 0.274 501 P C 0.950 178.359 177.300 0.183 0.000 1.260 501 P CA -0.088 63.126 63.100 0.189 0.000 0.793 501 P CB 1.129 32.979 31.700 0.251 0.000 1.048 502 W N 0.973 122.254 121.300 -0.032 0.000 2.304 502 W HA -0.238 4.439 4.660 0.028 0.000 0.315 502 W C 2.194 178.609 176.519 -0.173 0.000 1.233 502 W CA 1.985 59.251 57.345 -0.130 0.000 1.261 502 W CB -1.291 28.029 29.460 -0.235 0.000 1.150 502 W HN 0.415 nan 8.180 nan 0.000 0.494 503 H N -0.510 118.550 119.070 -0.016 0.000 2.559 503 H HA 0.033 4.608 4.556 0.031 0.000 0.273 503 H C 1.388 176.588 175.328 -0.212 0.000 1.000 503 H CA 1.650 57.552 56.048 -0.244 0.000 1.195 503 H CB -0.683 29.020 29.762 -0.099 0.000 1.368 503 H HN 0.392 nan 8.280 nan 0.000 0.592 504 M N -1.938 117.640 119.600 -0.037 0.000 2.747 504 M HA 0.312 4.811 4.480 0.031 0.000 0.402 504 M C -0.124 176.164 176.300 -0.019 0.000 1.238 504 M CA -0.215 55.057 55.300 -0.048 0.000 0.877 504 M CB 1.034 33.622 32.600 -0.020 0.000 1.424 504 M HN -0.195 nan 8.290 nan 0.000 0.511 505 S N 2.262 117.928 115.700 -0.056 0.000 2.434 505 S HA 0.487 4.976 4.470 0.031 0.000 0.318 505 S C -0.039 174.509 174.600 -0.087 0.000 1.062 505 S CA -0.640 57.578 58.200 0.029 0.000 1.116 505 S CB 0.400 63.706 63.200 0.176 0.000 0.977 505 S HN 0.406 nan 8.310 nan 0.000 0.480 506 I N 7.343 127.833 120.570 -0.134 0.000 2.533 506 I HA 0.185 4.374 4.170 0.031 0.000 0.284 506 I C -1.344 174.680 176.117 -0.156 0.000 1.109 506 I CA -1.893 59.269 61.300 -0.230 0.000 1.412 506 I CB 0.782 38.570 38.000 -0.354 0.000 1.396 506 I HN 0.447 nan 8.210 nan 0.000 0.543 507 P HA -0.164 nan 4.420 nan 0.000 0.216 507 P C 1.452 178.637 177.300 -0.192 0.000 1.157 507 P CA 1.496 64.540 63.100 -0.093 0.000 0.880 507 P CB 0.130 31.846 31.700 0.027 0.000 0.791 508 R N -0.917 119.423 120.500 -0.267 0.000 2.115 508 R HA 0.020 4.379 4.340 0.031 0.000 0.230 508 R C 2.364 178.666 176.300 0.004 0.000 1.111 508 R CA 0.913 56.912 56.100 -0.168 0.000 0.976 508 R CB -1.385 28.803 30.300 -0.187 0.000 0.870 508 R HN 0.327 nan 8.270 nan 0.000 0.445 509 L N 0.411 121.598 121.223 -0.059 0.000 2.093 509 L HA -0.134 4.225 4.340 0.031 0.000 0.208 509 L C 2.575 179.357 176.870 -0.148 0.000 1.085 509 L CA 1.234 56.031 54.840 -0.072 0.000 0.755 509 L CB -0.373 41.606 42.059 -0.133 0.000 0.904 509 L HN 0.253 nan 8.230 nan 0.000 0.435 510 E N 0.372 120.508 120.200 -0.106 0.000 2.051 510 E HA -0.242 4.126 4.350 0.031 0.000 0.192 510 E C 2.203 178.706 176.600 -0.161 0.000 0.991 510 E CA 1.251 57.524 56.400 -0.212 0.000 0.799 510 E CB 0.021 29.742 29.700 0.035 0.000 0.748 510 E HN 0.439 nan 8.360 nan 0.000 0.449 511 A N 1.203 123.996 122.820 -0.046 0.000 1.877 511 A HA -0.206 4.133 4.320 0.031 0.000 0.216 511 A C 2.197 179.701 177.584 -0.133 0.000 1.186 511 A CA 1.781 53.820 52.037 0.004 0.000 0.620 511 A CB -0.567 18.477 19.000 0.074 0.000 0.822 511 A HN 0.170 nan 8.150 nan 0.000 0.443 512 R N 0.157 120.522 120.500 -0.225 0.000 2.081 512 R HA -0.096 4.263 4.340 0.031 0.000 0.235 512 R C 2.457 178.569 176.300 -0.314 0.000 1.131 512 R CA 2.101 57.926 56.100 -0.459 0.000 0.960 512 R CB -0.879 29.174 30.300 -0.413 0.000 0.856 512 R HN 0.463 nan 8.270 nan 0.000 0.436 513 S N -1.069 114.464 115.700 -0.279 0.000 2.356 513 S HA -0.193 4.296 4.470 0.031 0.000 0.223 513 S C 1.900 176.380 174.600 -0.199 0.000 1.032 513 S CA 1.213 59.257 58.200 -0.261 0.000 1.005 513 S CB -0.529 62.391 63.200 -0.467 0.000 0.867 513 S HN 0.577 nan 8.310 nan 0.000 0.449 514 Y N 1.293 121.366 120.300 -0.379 0.000 2.293 514 Y HA 0.010 4.577 4.550 0.028 0.000 0.291 514 Y C 1.976 177.730 175.900 -0.242 0.000 1.137 514 Y CA 1.374 59.239 58.100 -0.392 0.000 1.202 514 Y CB -0.133 37.910 38.460 -0.696 0.000 0.990 514 Y HN 0.276 nan 8.280 nan 0.000 0.537 515 I N 0.149 120.566 120.570 -0.255 0.000 2.264 515 I HA -0.341 3.848 4.170 0.031 0.000 0.248 515 I C 1.380 177.363 176.117 -0.224 0.000 1.111 515 I CA 1.566 62.706 61.300 -0.266 0.000 1.382 515 I CB -0.309 37.533 38.000 -0.264 0.000 1.060 515 I HN 0.220 nan 8.210 nan 0.000 0.418 516 D N -0.428 119.852 120.400 -0.201 0.000 2.347 516 D HA -0.053 4.605 4.640 0.031 0.000 0.213 516 D C 2.110 178.331 176.300 -0.132 0.000 0.985 516 D CA 1.114 55.029 54.000 -0.141 0.000 0.879 516 D CB 0.147 40.883 40.800 -0.108 0.000 0.919 516 D HN 0.353 nan 8.370 nan 0.000 0.526 517 S N -1.361 114.226 115.700 -0.187 0.000 2.526 517 S HA 0.018 4.506 4.470 0.031 0.000 0.220 517 S C 0.605 175.033 174.600 -0.287 0.000 1.017 517 S CA -0.628 57.472 58.200 -0.166 0.000 0.930 517 S CB -0.304 62.860 63.200 -0.060 0.000 0.856 517 S HN 0.165 nan 8.310 nan 0.000 0.497 518 Y N 3.670 123.582 120.300 -0.647 0.000 2.569 518 Y HA 0.355 4.927 4.550 0.036 0.000 0.332 518 Y C -0.260 175.436 175.900 -0.340 0.000 1.120 518 Y CA -0.374 57.321 58.100 -0.675 0.000 1.416 518 Y CB 0.344 38.286 38.460 -0.863 0.000 1.210 518 Y HN 0.110 nan 8.280 nan 0.000 0.528 519 D N 5.533 125.531 120.400 -0.670 0.000 2.373 519 D HA 0.051 4.709 4.640 0.031 0.000 0.227 519 D C -0.047 175.930 176.300 -0.538 0.000 1.091 519 D CA -0.459 53.275 54.000 -0.443 0.000 0.840 519 D CB 0.740 41.348 40.800 -0.320 0.000 1.060 519 D HN 0.764 nan 8.370 nan 0.000 0.502 520 D N 2.070 122.307 120.400 -0.271 0.000 2.328 520 D HA -0.046 4.613 4.640 0.031 0.000 0.221 520 D C 0.166 176.448 176.300 -0.030 0.000 1.072 520 D CA -0.112 53.814 54.000 -0.122 0.000 0.850 520 D CB -0.095 40.759 40.800 0.089 0.000 0.922 520 D HN 0.152 nan 8.370 nan 0.000 0.516 521 N N -0.117 118.564 118.700 -0.032 0.000 2.642 521 N HA 0.084 4.842 4.740 0.031 0.000 0.308 521 N C -1.800 173.721 175.510 0.018 0.000 1.914 521 N CA -0.595 52.482 53.050 0.045 0.000 0.893 521 N CB -0.164 38.377 38.487 0.089 0.000 1.322 521 N HN 0.075 nan 8.380 nan 0.000 0.490 522 Y N 0.089 120.223 120.300 -0.277 0.000 2.352 522 Y HA 0.636 5.205 4.550 0.031 0.000 0.326 522 Y C -0.576 174.971 175.900 -0.588 0.000 1.166 522 Y CA -0.538 57.268 58.100 -0.491 0.000 1.182 522 Y CB 1.126 39.136 38.460 -0.750 0.000 1.216 522 Y HN -0.102 nan 8.280 nan 0.000 0.474 523 V N 5.681 124.750 119.914 -1.409 0.000 2.540 523 V HA 0.210 4.348 4.120 0.031 0.000 0.302 523 V C -0.691 174.611 176.094 -1.321 0.000 1.035 523 V CA -1.135 60.526 62.300 -1.063 0.000 0.873 523 V CB 1.356 32.642 31.823 -0.894 0.000 0.992 523 V HN 0.766 nan 8.190 nan 0.000 0.428 524 W N 2.488 123.264 121.300 -0.873 0.000 2.303 524 W HA 0.516 5.194 4.660 0.029 0.000 0.334 524 W C 0.024 176.184 176.519 -0.597 0.000 1.197 524 W CA -0.291 56.609 57.345 -0.741 0.000 1.262 524 W CB 1.681 30.507 29.460 -1.058 0.000 1.153 524 W HN 0.493 nan 8.180 nan 0.000 0.596 525 Q N 2.501 122.284 119.800 -0.028 0.000 2.341 525 Q HA 0.303 4.661 4.340 0.031 0.000 0.268 525 Q C -0.177 175.986 176.000 0.271 0.000 1.013 525 Q CA -0.219 55.635 55.803 0.086 0.000 0.798 525 Q CB 1.943 30.695 28.738 0.023 0.000 1.253 525 Q HN 0.488 nan 8.270 nan 0.000 0.457 526 R N 2.467 123.174 120.500 0.347 0.000 2.366 526 R HA 0.417 4.776 4.340 0.031 0.000 0.113 526 R C 0.623 177.004 176.300 0.135 0.000 1.519 526 R CA -0.147 56.115 56.100 0.270 0.000 1.310 526 R CB 0.296 30.739 30.300 0.238 0.000 1.109 526 R HN 0.545 nan 8.270 nan 0.000 0.432 527 K N -0.062 120.390 120.400 0.086 0.000 2.148 527 K HA -0.025 4.313 4.320 0.031 0.000 0.204 527 K C 0.397 176.975 176.600 -0.037 0.000 1.050 527 K CA 1.689 57.975 56.287 -0.000 0.000 0.942 527 K CB 0.067 32.541 32.500 -0.043 0.000 0.724 527 K HN 0.527 nan 8.250 nan 0.000 0.446 528 T N -2.667 111.903 114.554 0.027 0.000 2.716 528 T HA 0.465 4.834 4.350 0.031 0.000 0.286 528 T C -0.330 174.460 174.700 0.151 0.000 1.052 528 T CA -1.019 61.109 62.100 0.047 0.000 1.024 528 T CB 1.068 69.960 68.868 0.040 0.000 1.349 528 T HN -0.127 nan 8.240 nan 0.000 0.525 529 L N 1.767 123.055 121.223 0.109 0.000 2.395 529 L HA 0.633 4.992 4.340 0.031 0.000 0.269 529 L C -0.705 176.292 176.870 0.211 0.000 1.133 529 L CA -0.913 53.978 54.840 0.085 0.000 0.812 529 L CB 0.433 42.478 42.059 -0.023 0.000 1.125 529 L HN 0.871 nan 8.230 nan 0.000 0.452 530 Y N 0.073 120.391 120.300 0.029 0.000 2.581 530 Y HA 0.648 5.217 4.550 0.031 0.000 0.337 530 Y C -1.049 174.925 175.900 0.124 0.000 1.108 530 Y CA -1.454 56.677 58.100 0.051 0.000 1.033 530 Y CB 1.221 39.690 38.460 0.015 0.000 1.318 530 Y HN 0.352 nan 8.280 nan 0.000 0.459 531 R N 2.576 123.201 120.500 0.207 0.000 2.474 531 R HA 0.644 5.003 4.340 0.031 0.000 0.295 531 R C -1.167 175.272 176.300 0.231 0.000 0.980 531 R CA -1.019 55.204 56.100 0.205 0.000 0.934 531 R CB 1.837 32.220 30.300 0.139 0.000 1.101 531 R HN 0.830 nan 8.270 nan 0.000 0.469 532 M N 3.574 123.298 119.600 0.207 0.000 1.987 532 M HA 0.248 4.747 4.480 0.031 0.000 0.298 532 M C -2.001 174.370 176.300 0.117 0.000 0.892 532 M CA -1.849 53.471 55.300 0.033 0.000 0.885 532 M CB 2.157 34.558 32.600 -0.332 0.000 1.469 532 M HN 0.175 nan 8.290 nan 0.000 0.389 533 P HA -0.048 nan 4.420 nan 0.000 0.220 533 P C 1.022 178.371 177.300 0.083 0.000 1.148 533 P CA 1.183 64.348 63.100 0.108 0.000 0.803 533 P CB 0.309 32.057 31.700 0.081 0.000 0.782 534 S N -0.965 114.756 115.700 0.035 0.000 2.423 534 S HA -0.004 4.485 4.470 0.031 0.000 0.231 534 S C 1.627 176.255 174.600 0.047 0.000 1.014 534 S CA 0.940 59.136 58.200 -0.008 0.000 0.965 534 S CB -0.646 62.504 63.200 -0.083 0.000 0.785 534 S HN 0.168 nan 8.310 nan 0.000 0.495 535 L N -0.306 120.983 121.223 0.109 0.000 2.470 535 L HA 0.260 4.619 4.340 0.031 0.000 0.219 535 L C 0.984 178.067 176.870 0.356 0.000 1.071 535 L CA 0.262 55.228 54.840 0.212 0.000 0.850 535 L CB 0.135 42.260 42.059 0.110 0.000 1.040 535 L HN 0.094 nan 8.230 nan 0.000 0.475 536 S N 0.707 116.611 115.700 0.339 0.000 2.516 536 S HA 0.329 4.818 4.470 0.031 0.000 0.268 536 S C -0.707 173.984 174.600 0.153 0.000 1.251 536 S CA -0.508 57.774 58.200 0.138 0.000 1.153 536 S CB -0.160 63.122 63.200 0.137 0.000 1.009 536 S HN 0.257 nan 8.310 nan 0.000 0.479 537 N N 1.701 120.553 118.700 0.254 0.000 2.461 537 N HA 0.281 5.040 4.740 0.031 0.000 0.284 537 N C 0.950 176.591 175.510 0.218 0.000 1.049 537 N CA -0.352 52.823 53.050 0.210 0.000 0.889 537 N CB 1.598 40.190 38.487 0.174 0.000 1.365 537 N HN 0.375 nan 8.380 nan 0.000 0.499 538 S N 3.097 118.879 115.700 0.137 0.000 2.399 538 S HA -0.142 4.347 4.470 0.031 0.000 0.231 538 S C 1.418 176.065 174.600 0.079 0.000 1.022 538 S CA 0.823 59.088 58.200 0.108 0.000 0.983 538 S CB -0.131 63.113 63.200 0.073 0.000 0.803 538 S HN 0.582 nan 8.310 nan 0.000 0.480 539 K N 0.446 120.887 120.400 0.068 0.000 2.057 539 K HA 0.010 4.348 4.320 0.031 0.000 0.206 539 K C 2.405 179.028 176.600 0.038 0.000 1.050 539 K CA 1.403 57.720 56.287 0.050 0.000 0.935 539 K CB -0.598 31.931 32.500 0.049 0.000 0.715 539 K HN 0.416 nan 8.250 nan 0.000 0.439 540 C N 0.716 120.031 119.300 0.024 0.000 2.413 540 C HA -0.110 4.369 4.460 0.031 0.000 0.276 540 C C 2.554 177.484 174.990 -0.099 0.000 1.248 540 C CA 0.389 59.382 59.018 -0.042 0.000 1.742 540 C CB -0.673 27.005 27.740 -0.102 0.000 2.017 540 C HN 0.443 nan 8.230 nan 0.000 0.481 541 L N 1.192 122.366 121.223 -0.083 0.000 2.044 541 L HA -0.067 4.292 4.340 0.031 0.000 0.205 541 L C 2.477 179.320 176.870 -0.045 0.000 1.075 541 L CA 2.020 56.801 54.840 -0.099 0.000 0.747 541 L CB -1.032 41.065 42.059 0.064 0.000 0.903 541 L HN 0.399 nan 8.230 nan 0.000 0.435 542 E N -0.719 119.476 120.200 -0.008 0.000 2.058 542 E HA -0.290 4.079 4.350 0.031 0.000 0.194 542 E C 2.211 178.799 176.600 -0.021 0.000 0.997 542 E CA 1.733 58.124 56.400 -0.015 0.000 0.801 542 E CB -0.283 29.419 29.700 0.002 0.000 0.746 542 E HN 0.424 nan 8.360 nan 0.000 0.450 543 L N 0.847 122.075 121.223 0.007 0.000 2.046 543 L HA -0.117 4.241 4.340 0.031 0.000 0.208 543 L C 2.248 179.145 176.870 0.046 0.000 1.077 543 L CA 2.244 57.103 54.840 0.031 0.000 0.747 543 L CB -0.775 41.338 42.059 0.090 0.000 0.896 543 L HN 0.175 nan 8.230 nan 0.000 0.432 544 A N -0.608 122.232 122.820 0.033 0.000 1.908 544 A HA -0.245 4.094 4.320 0.031 0.000 0.218 544 A C 2.342 179.959 177.584 0.056 0.000 1.181 544 A CA 2.070 54.139 52.037 0.054 0.000 0.627 544 A CB -0.506 18.475 19.000 -0.032 0.000 0.818 544 A HN 0.539 nan 8.150 nan 0.000 0.445 545 K N -0.531 119.860 120.400 -0.014 0.000 2.025 545 K HA 0.004 4.342 4.320 0.031 0.000 0.207 545 K C 1.912 178.486 176.600 -0.044 0.000 1.049 545 K CA 1.330 57.597 56.287 -0.034 0.000 0.933 545 K CB -0.377 32.074 32.500 -0.081 0.000 0.714 545 K HN 0.445 nan 8.250 nan 0.000 0.438 546 L N 0.863 122.017 121.223 -0.115 0.000 2.017 546 L HA -0.228 4.131 4.340 0.031 0.000 0.208 546 L C 2.240 179.081 176.870 -0.048 0.000 1.073 546 L CA 1.406 56.111 54.840 -0.225 0.000 0.745 546 L CB -0.400 41.539 42.059 -0.200 0.000 0.894 546 L HN 0.209 nan 8.230 nan 0.000 0.432 547 D N -0.465 119.966 120.400 0.052 0.000 2.117 547 D HA -0.248 4.411 4.640 0.031 0.000 0.197 547 D C 2.017 178.407 176.300 0.150 0.000 0.987 547 D CA 1.000 55.078 54.000 0.131 0.000 0.829 547 D CB -0.028 40.903 40.800 0.218 0.000 0.961 547 D HN 0.183 nan 8.370 nan 0.000 0.460 548 F N 0.915 120.885 119.950 0.035 0.000 2.095 548 F HA -0.190 4.359 4.527 0.036 0.000 0.298 548 F C 2.015 177.842 175.800 0.045 0.000 1.104 548 F CA 1.329 59.346 58.000 0.029 0.000 1.232 548 F CB -0.270 38.727 39.000 -0.006 0.000 0.987 548 F HN -0.041 nan 8.300 nan 0.000 0.475 549 N N 0.740 119.585 118.700 0.242 0.000 2.120 549 N HA -0.173 4.586 4.740 0.031 0.000 0.188 549 N C 2.029 177.628 175.510 0.148 0.000 1.024 549 N CA 1.837 55.012 53.050 0.208 0.000 0.852 549 N CB -0.505 38.098 38.487 0.193 0.000 1.003 549 N HN 0.363 nan 8.380 nan 0.000 0.424 550 I N 0.158 120.804 120.570 0.127 0.000 2.252 550 I HA -0.187 4.001 4.170 0.031 0.000 0.245 550 I C 1.987 178.108 176.117 0.006 0.000 1.102 550 I CA 0.705 62.069 61.300 0.107 0.000 1.385 550 I CB -0.154 37.915 38.000 0.114 0.000 1.064 550 I HN -0.089 nan 8.210 nan 0.000 0.414 551 V N 0.455 120.332 119.914 -0.062 0.000 2.427 551 V HA -0.293 3.846 4.120 0.031 0.000 0.248 551 V C 2.445 178.291 176.094 -0.413 0.000 1.051 551 V CA 1.857 64.030 62.300 -0.212 0.000 1.048 551 V CB -0.673 31.059 31.823 -0.151 0.000 0.666 551 V HN 0.518 nan 8.190 nan 0.000 0.456 552 Q N 0.027 119.666 119.800 -0.269 0.000 2.084 552 Q HA -0.200 4.159 4.340 0.031 0.000 0.202 552 Q C 2.347 178.368 176.000 0.035 0.000 0.978 552 Q CA 2.117 57.867 55.803 -0.088 0.000 0.844 552 Q CB -0.108 28.640 28.738 0.017 0.000 0.898 552 Q HN 0.635 nan 8.270 nan 0.000 0.426 553 S N 0.981 116.699 115.700 0.031 0.000 2.382 553 S HA -0.161 4.328 4.470 0.031 0.000 0.228 553 S C 1.767 176.388 174.600 0.034 0.000 1.027 553 S CA 1.136 59.370 58.200 0.057 0.000 0.991 553 S CB -0.343 62.894 63.200 0.063 0.000 0.823 553 S HN 0.423 nan 8.310 nan 0.000 0.469 554 L N 1.770 122.980 121.223 -0.021 0.000 2.017 554 L HA -0.120 4.239 4.340 0.031 0.000 0.208 554 L C 1.924 178.852 176.870 0.096 0.000 1.073 554 L CA 1.939 56.780 54.840 0.000 0.000 0.745 554 L CB -0.891 41.139 42.059 -0.049 0.000 0.894 554 L HN 0.380 nan 8.230 nan 0.000 0.432 555 H N -1.244 117.907 119.070 0.135 0.000 2.387 555 H HA -0.149 4.435 4.556 0.047 0.000 0.299 555 H C 2.206 177.494 175.328 -0.066 0.000 1.090 555 H CA 1.315 57.446 56.048 0.138 0.000 1.332 555 H CB 0.061 30.020 29.762 0.329 0.000 1.386 555 H HN 0.524 nan 8.280 nan 0.000 0.516 556 Q N 0.323 120.197 119.800 0.124 0.000 2.084 556 Q HA -0.206 4.153 4.340 0.031 0.000 0.202 556 Q C 2.250 178.243 176.000 -0.012 0.000 0.978 556 Q CA 1.571 57.395 55.803 0.034 0.000 0.844 556 Q CB 0.064 28.852 28.738 0.084 0.000 0.898 556 Q HN 0.381 nan 8.270 nan 0.000 0.426 557 E N 1.254 121.465 120.200 0.018 0.000 2.072 557 E HA -0.191 4.178 4.350 0.031 0.000 0.191 557 E C 1.475 178.067 176.600 -0.013 0.000 0.985 557 E CA 1.392 57.799 56.400 0.011 0.000 0.801 557 E CB 0.065 29.782 29.700 0.028 0.000 0.750 557 E HN 0.337 nan 8.360 nan 0.000 0.452 558 E N 0.010 120.200 120.200 -0.018 0.000 2.085 558 E HA -0.172 4.196 4.350 0.031 0.000 0.194 558 E C 2.196 178.674 176.600 -0.204 0.000 0.994 558 E CA 1.215 57.582 56.400 -0.055 0.000 0.801 558 E CB -0.176 29.549 29.700 0.042 0.000 0.743 558 E HN 0.317 nan 8.360 nan 0.000 0.453 559 L N 0.920 121.934 121.223 -0.349 0.000 2.141 559 L HA -0.165 4.193 4.340 0.031 0.000 0.209 559 L C 2.589 179.381 176.870 -0.131 0.000 1.094 559 L CA 0.998 55.620 54.840 -0.363 0.000 0.763 559 L CB -0.230 41.581 42.059 -0.414 0.000 0.908 559 L HN 0.052 nan 8.230 nan 0.000 0.437 560 K N 0.601 120.958 120.400 -0.070 0.000 2.026 560 K HA -0.176 4.162 4.320 0.031 0.000 0.208 560 K C 2.122 178.745 176.600 0.038 0.000 1.048 560 K CA 1.310 57.596 56.287 -0.002 0.000 0.929 560 K CB -0.057 32.449 32.500 0.009 0.000 0.713 560 K HN 0.228 nan 8.250 nan 0.000 0.439 561 L N 0.856 122.098 121.223 0.031 0.000 2.083 561 L HA -0.181 4.178 4.340 0.031 0.000 0.209 561 L C 2.365 179.313 176.870 0.131 0.000 1.083 561 L CA 0.897 55.781 54.840 0.072 0.000 0.752 561 L CB -0.319 41.769 42.059 0.048 0.000 0.899 561 L HN 0.213 nan 8.230 nan 0.000 0.433 562 L N -0.542 120.735 121.223 0.089 0.000 2.093 562 L HA -0.167 4.191 4.340 0.031 0.000 0.208 562 L C 2.854 179.913 176.870 0.316 0.000 1.085 562 L CA 1.744 56.691 54.840 0.179 0.000 0.755 562 L CB -0.834 41.259 42.059 0.057 0.000 0.904 562 L HN 0.453 nan 8.230 nan 0.000 0.435 563 T N -2.500 112.168 114.554 0.190 0.000 2.821 563 T HA -0.261 4.108 4.350 0.031 0.000 0.267 563 T C 1.981 176.882 174.700 0.334 0.000 1.046 563 T CA 1.061 63.301 62.100 0.234 0.000 1.139 563 T CB -0.342 68.585 68.868 0.097 0.000 0.871 563 T HN 0.238 nan 8.240 nan 0.000 0.454 564 R N -0.452 120.191 120.500 0.238 0.000 2.091 564 R HA -0.117 4.241 4.340 0.031 0.000 0.238 564 R C 2.297 178.730 176.300 0.221 0.000 1.136 564 R CA 1.755 57.974 56.100 0.198 0.000 0.959 564 R CB -0.591 29.796 30.300 0.145 0.000 0.856 564 R HN 0.640 nan 8.270 nan 0.000 0.437 565 W N 0.202 121.562 121.300 0.100 0.000 2.388 565 W HA -0.200 4.479 4.660 0.032 0.000 0.294 565 W C 1.753 178.330 176.519 0.096 0.000 1.212 565 W CA 1.250 58.637 57.345 0.070 0.000 1.271 565 W CB -0.625 28.868 29.460 0.055 0.000 1.126 565 W HN 0.271 nan 8.180 nan 0.000 0.535 566 W N 2.388 123.672 121.300 -0.027 0.000 2.318 566 W HA -0.275 4.404 4.660 0.031 0.000 0.313 566 W C 2.560 178.890 176.519 -0.315 0.000 1.221 566 W CA 3.298 60.481 57.345 -0.270 0.000 1.266 566 W CB -0.741 28.732 29.460 0.022 0.000 1.150 566 W HN -0.039 nan 8.180 nan 0.000 0.496 567 K N 0.293 120.566 120.400 -0.212 0.000 1.984 567 K HA -0.207 4.132 4.320 0.031 0.000 0.209 567 K C 1.940 178.321 176.600 -0.364 0.000 1.046 567 K CA 2.068 58.125 56.287 -0.384 0.000 0.934 567 K CB -0.578 31.857 32.500 -0.108 0.000 0.717 567 K HN 0.189 nan 8.250 nan 0.000 0.438 568 E N 0.502 120.555 120.200 -0.245 0.000 2.150 568 E HA -0.137 4.231 4.350 0.031 0.000 0.193 568 E C 2.001 178.425 176.600 -0.294 0.000 0.985 568 E CA 1.391 57.669 56.400 -0.202 0.000 0.814 568 E CB 0.014 29.665 29.700 -0.082 0.000 0.752 568 E HN 0.488 nan 8.360 nan 0.000 0.466 569 S N -0.748 114.634 115.700 -0.530 0.000 2.453 569 S HA 0.021 4.510 4.470 0.031 0.000 0.231 569 S C 1.760 176.095 174.600 -0.442 0.000 1.005 569 S CA 0.771 58.619 58.200 -0.586 0.000 0.949 569 S CB 0.245 62.691 63.200 -1.258 0.000 0.774 569 S HN 0.402 nan 8.310 nan 0.000 0.510 570 G N 0.647 109.165 108.800 -0.471 0.000 2.195 570 G HA2 -0.241 3.737 3.960 0.031 0.000 0.224 570 G HA3 -0.241 3.737 3.960 0.031 0.000 0.224 570 G C 0.855 175.500 174.900 -0.425 0.000 0.990 570 G CA 0.296 45.173 45.100 -0.371 0.000 0.639 570 G HN 0.311 nan 8.290 nan 0.000 0.514 571 M N 0.812 120.062 119.600 -0.583 0.000 2.149 571 M HA -0.027 4.471 4.480 0.031 0.000 0.261 571 M C 2.895 178.886 176.300 -0.515 0.000 1.064 571 M CA 2.290 57.293 55.300 -0.495 0.000 1.102 571 M CB -1.323 30.929 32.600 -0.580 0.000 1.369 571 M HN 0.676 nan 8.290 nan 0.000 0.408 572 A N 0.414 122.608 122.820 -1.043 0.000 1.902 572 A HA -0.178 4.160 4.320 0.031 0.000 0.217 572 A C 1.842 179.153 177.584 -0.455 0.000 1.181 572 A CA 1.879 53.248 52.037 -1.114 0.000 0.623 572 A CB -0.688 17.323 19.000 -1.648 0.000 0.818 572 A HN 0.405 nan 8.150 nan 0.000 0.443 573 D N -0.439 119.732 120.400 -0.382 0.000 2.149 573 D HA -0.113 4.545 4.640 0.031 0.000 0.198 573 D C 1.469 177.685 176.300 -0.140 0.000 0.990 573 D CA 1.041 54.910 54.000 -0.219 0.000 0.839 573 D CB -0.243 40.440 40.800 -0.196 0.000 0.948 573 D HN 0.495 nan 8.370 nan 0.000 0.460 574 I N 0.394 120.885 120.570 -0.132 0.000 3.749 574 I HA -0.092 4.097 4.170 0.031 0.000 0.314 574 I C -0.494 175.622 176.117 -0.003 0.000 1.278 574 I CA 0.217 61.480 61.300 -0.061 0.000 1.158 574 I CB -0.172 37.799 38.000 -0.048 0.000 1.018 574 I HN -0.125 nan 8.210 nan 0.000 0.435 575 N N 0.191 118.890 118.700 -0.001 0.000 2.776 575 N HA -0.278 4.480 4.740 0.031 0.000 0.250 575 N C -0.167 175.425 175.510 0.138 0.000 1.112 575 N CA 0.707 53.793 53.050 0.060 0.000 0.733 575 N CB -2.170 36.331 38.487 0.023 0.000 1.097 575 N HN 0.382 nan 8.380 nan 0.000 0.558 576 F N 1.576 121.576 119.950 0.082 0.000 2.538 576 F HA 0.103 4.649 4.527 0.030 0.000 0.371 576 F C 0.914 176.899 175.800 0.309 0.000 1.087 576 F CA 0.113 58.218 58.000 0.176 0.000 1.250 576 F CB 0.545 39.668 39.000 0.205 0.000 1.110 576 F HN -0.002 nan 8.300 nan 0.000 0.570 577 T N 7.270 121.550 114.554 -0.456 0.000 2.817 577 T HA 0.050 4.419 4.350 0.031 0.000 0.295 577 T C 1.535 175.992 174.700 -0.405 0.000 0.958 577 T CA -0.300 61.555 62.100 -0.408 0.000 1.157 577 T CB 0.810 69.244 68.868 -0.722 0.000 0.898 577 T HN 0.727 nan 8.240 nan 0.000 0.536 578 R N 2.309 122.552 120.500 -0.428 0.000 2.096 578 R HA -0.213 4.146 4.340 0.031 0.000 0.240 578 R C 2.205 178.204 176.300 -0.502 0.000 1.139 578 R CA 2.266 57.813 56.100 -0.921 0.000 0.952 578 R CB -0.351 29.337 30.300 -1.020 0.000 0.854 578 R HN 0.940 nan 8.270 nan 0.000 0.436 579 H N -1.050 117.868 119.070 -0.254 0.000 2.491 579 H HA 0.011 4.585 4.556 0.030 0.000 0.290 579 H C 1.880 177.158 175.328 -0.082 0.000 1.050 579 H CA 1.211 57.170 56.048 -0.148 0.000 1.309 579 H CB -0.303 29.390 29.762 -0.114 0.000 1.392 579 H HN 0.065 nan 8.280 nan 0.000 0.554 580 R N 1.451 121.759 120.500 -0.321 0.000 2.152 580 R HA -0.054 4.305 4.340 0.031 0.000 0.232 580 R C 1.830 178.228 176.300 0.163 0.000 1.117 580 R CA 1.207 57.266 56.100 -0.069 0.000 0.981 580 R CB -0.928 29.182 30.300 -0.317 0.000 0.870 580 R HN 0.357 nan 8.270 nan 0.000 0.451 581 V N 0.721 120.738 119.914 0.171 0.000 2.255 581 V HA -0.267 3.871 4.120 0.031 0.000 0.247 581 V C 2.371 178.589 176.094 0.207 0.000 1.051 581 V CA 2.129 64.558 62.300 0.214 0.000 1.018 581 V CB -1.141 30.742 31.823 0.100 0.000 0.641 581 V HN 0.508 nan 8.190 nan 0.000 0.445 582 A N -0.549 122.361 122.820 0.151 0.000 1.972 582 A HA -0.232 4.106 4.320 0.031 0.000 0.219 582 A C 2.162 179.960 177.584 0.356 0.000 1.169 582 A CA 1.869 54.034 52.037 0.212 0.000 0.635 582 A CB -0.436 18.654 19.000 0.150 0.000 0.810 582 A HN 0.663 nan 8.150 nan 0.000 0.446 583 E N -0.471 119.896 120.200 0.278 0.000 2.072 583 E HA -0.087 4.282 4.350 0.031 0.000 0.190 583 E C 1.968 178.787 176.600 0.365 0.000 0.982 583 E CA 1.135 57.696 56.400 0.269 0.000 0.803 583 E CB -0.219 29.541 29.700 0.100 0.000 0.755 583 E HN 0.384 nan 8.360 nan 0.000 0.453 584 V N 0.882 120.992 119.914 0.327 0.000 2.295 584 V HA -0.286 3.852 4.120 0.031 0.000 0.246 584 V C 2.073 178.473 176.094 0.510 0.000 1.049 584 V CA 1.939 64.454 62.300 0.358 0.000 1.024 584 V CB -0.604 31.366 31.823 0.244 0.000 0.648 584 V HN 0.315 nan 8.190 nan 0.000 0.447 585 Y N 0.494 121.001 120.300 0.345 0.000 2.114 585 Y HA -0.351 4.214 4.550 0.026 0.000 0.282 585 Y C 2.287 178.395 175.900 0.346 0.000 1.165 585 Y CA 2.145 60.431 58.100 0.310 0.000 1.148 585 Y CB -0.591 37.948 38.460 0.132 0.000 0.972 585 Y HN 0.269 nan 8.280 nan 0.000 0.504 586 F N 0.455 120.622 119.950 0.361 0.000 2.154 586 F HA -0.249 4.296 4.527 0.031 0.000 0.301 586 F C 2.291 178.207 175.800 0.193 0.000 1.087 586 F CA 2.121 60.343 58.000 0.370 0.000 1.274 586 F CB -0.626 38.677 39.000 0.504 0.000 1.009 586 F HN -0.007 nan 8.300 nan 0.000 0.485 587 S N -0.262 115.644 115.700 0.343 0.000 2.474 587 S HA -0.154 4.335 4.470 0.031 0.000 0.235 587 S C 2.158 176.703 174.600 -0.091 0.000 0.997 587 S CA 0.902 59.237 58.200 0.224 0.000 0.949 587 S CB -0.660 62.826 63.200 0.476 0.000 0.766 587 S HN 0.644 nan 8.310 nan 0.000 0.517 588 S N 1.775 117.331 115.700 -0.240 0.000 2.419 588 S HA -0.010 4.478 4.470 0.031 0.000 0.235 588 S C 1.792 176.024 174.600 -0.614 0.000 1.019 588 S CA 1.212 58.952 58.200 -0.765 0.000 0.982 588 S CB -0.583 62.221 63.200 -0.661 0.000 0.789 588 S HN 0.911 nan 8.310 nan 0.000 0.490 589 A N -0.036 122.504 122.820 -0.466 0.000 2.070 589 A HA -0.228 4.111 4.320 0.031 0.000 0.231 589 A C 1.105 178.582 177.584 -0.179 0.000 0.501 589 A CA 1.843 53.651 52.037 -0.380 0.000 1.119 589 A CB -2.936 15.823 19.000 -0.402 0.000 1.430 589 A HN 0.752 nan 8.150 nan 0.000 0.706 590 T N 1.050 115.491 114.554 -0.188 0.000 2.775 590 T HA 0.422 4.790 4.350 0.031 0.000 0.281 590 T C 0.709 175.448 174.700 0.064 0.000 0.908 590 T CA 0.734 62.825 62.100 -0.014 0.000 1.123 590 T CB -0.463 68.430 68.868 0.042 0.000 0.879 590 T HN 0.936 nan 8.240 nan 0.000 0.547 591 F N 0.434 120.408 119.950 0.041 0.000 2.721 591 F HA 0.510 5.050 4.527 0.021 0.000 0.301 591 F C 0.503 176.459 175.800 0.261 0.000 1.096 591 F CA -0.974 57.086 58.000 0.100 0.000 1.308 591 F CB -0.265 38.795 39.000 0.101 0.000 1.086 591 F HN 0.225 nan 8.300 nan 0.000 0.587 592 E N 2.759 122.557 120.200 -0.670 0.000 2.413 592 E HA 0.059 4.428 4.350 0.031 0.000 0.263 592 E C -1.613 174.861 176.600 -0.211 0.000 1.015 592 E CA -1.175 54.848 56.400 -0.629 0.000 0.916 592 E CB 0.142 29.502 29.700 -0.566 0.000 0.947 592 E HN 0.026 nan 8.360 nan 0.000 0.440 593 P HA -0.254 nan 4.420 nan 0.000 0.216 593 P C 0.662 177.869 177.300 -0.154 0.000 1.150 593 P CA 1.467 64.515 63.100 -0.086 0.000 0.843 593 P CB 0.067 31.717 31.700 -0.084 0.000 0.787 594 E N -1.438 118.550 120.200 -0.354 0.000 2.472 594 E HA -0.174 4.194 4.350 0.031 0.000 0.200 594 E C 0.464 176.836 176.600 -0.380 0.000 1.046 594 E CA 0.814 56.958 56.400 -0.426 0.000 0.871 594 E CB -0.805 28.532 29.700 -0.605 0.000 0.806 594 E HN 0.416 nan 8.360 nan 0.000 0.533 595 Y N 0.542 120.811 120.300 -0.051 0.000 2.720 595 Y HA 0.237 4.814 4.550 0.045 0.000 0.277 595 Y C 2.047 177.940 175.900 -0.011 0.000 1.144 595 Y CA -0.470 57.598 58.100 -0.053 0.000 1.221 595 Y CB 0.750 39.166 38.460 -0.073 0.000 1.163 595 Y HN 0.050 nan 8.280 nan 0.000 0.537 596 S N 1.155 116.926 115.700 0.119 0.000 2.359 596 S HA -0.298 4.191 4.470 0.031 0.000 0.223 596 S C 2.390 177.054 174.600 0.105 0.000 1.039 596 S CA 1.785 60.062 58.200 0.129 0.000 1.042 596 S CB -0.214 63.041 63.200 0.091 0.000 0.915 596 S HN 0.623 nan 8.310 nan 0.000 0.439 597 A N 0.125 122.984 122.820 0.065 0.000 1.933 597 A HA -0.077 4.261 4.320 0.031 0.000 0.218 597 A C 2.381 179.976 177.584 0.018 0.000 1.175 597 A CA 2.303 54.359 52.037 0.032 0.000 0.628 597 A CB -1.504 17.503 19.000 0.011 0.000 0.814 597 A HN 0.586 nan 8.150 nan 0.000 0.444 598 T N -0.663 113.892 114.554 0.002 0.000 2.708 598 T HA -0.122 4.246 4.350 0.031 0.000 0.266 598 T C 2.107 176.802 174.700 -0.008 0.000 1.037 598 T CA 1.501 63.538 62.100 -0.104 0.000 1.146 598 T CB -0.210 68.485 68.868 -0.288 0.000 0.865 598 T HN 0.491 nan 8.240 nan 0.000 0.435 599 R N 0.183 120.733 120.500 0.084 0.000 2.081 599 R HA 0.043 4.401 4.340 0.031 0.000 0.235 599 R C 2.453 178.923 176.300 0.283 0.000 1.131 599 R CA 1.171 57.385 56.100 0.191 0.000 0.960 599 R CB -0.448 29.947 30.300 0.158 0.000 0.856 599 R HN 0.400 nan 8.270 nan 0.000 0.436 600 I N 0.361 121.045 120.570 0.189 0.000 2.226 600 I HA -0.267 3.922 4.170 0.031 0.000 0.245 600 I C 2.565 178.684 176.117 0.004 0.000 1.100 600 I CA 1.289 62.652 61.300 0.105 0.000 1.374 600 I CB -0.335 37.687 38.000 0.036 0.000 1.057 600 I HN 0.201 nan 8.210 nan 0.000 0.413 601 A N 0.557 123.384 122.820 0.011 0.000 1.898 601 A HA -0.246 4.092 4.320 0.031 0.000 0.216 601 A C 2.238 179.852 177.584 0.051 0.000 1.181 601 A CA 1.309 53.329 52.037 -0.029 0.000 0.620 601 A CB -0.982 18.011 19.000 -0.013 0.000 0.819 601 A HN 0.479 nan 8.150 nan 0.000 0.442 602 F N 1.471 121.436 119.950 0.025 0.000 2.126 602 F HA -0.184 4.362 4.527 0.032 0.000 0.299 602 F C 2.320 178.190 175.800 0.115 0.000 1.096 602 F CA 2.378 60.453 58.000 0.125 0.000 1.255 602 F CB -0.608 38.547 39.000 0.259 0.000 0.997 602 F HN 0.192 nan 8.300 nan 0.000 0.479 603 T N 0.654 115.299 114.554 0.151 0.000 2.777 603 T HA -0.151 4.217 4.350 0.031 0.000 0.266 603 T C 1.857 176.472 174.700 -0.141 0.000 1.040 603 T CA 1.634 63.765 62.100 0.052 0.000 1.141 603 T CB -0.207 68.830 68.868 0.281 0.000 0.868 603 T HN 0.256 nan 8.240 nan 0.000 0.444 604 K N 0.686 120.900 120.400 -0.309 0.000 2.032 604 K HA 0.010 4.349 4.320 0.031 0.000 0.209 604 K C 2.197 178.666 176.600 -0.219 0.000 1.048 604 K CA 1.228 57.147 56.287 -0.613 0.000 0.927 604 K CB -0.315 31.560 32.500 -1.041 0.000 0.712 604 K HN 0.310 nan 8.250 nan 0.000 0.441 605 I N 0.568 121.072 120.570 -0.109 0.000 2.252 605 I HA -0.185 4.003 4.170 0.031 0.000 0.245 605 I C 2.515 178.647 176.117 0.025 0.000 1.102 605 I CA 1.297 62.652 61.300 0.091 0.000 1.385 605 I CB -0.637 37.480 38.000 0.195 0.000 1.064 605 I HN 0.308 nan 8.210 nan 0.000 0.414 606 G N 0.047 108.727 108.800 -0.200 0.000 2.440 606 G HA2 -0.260 3.718 3.960 0.031 0.000 0.218 606 G HA3 -0.260 3.718 3.960 0.031 0.000 0.218 606 G C 1.715 176.604 174.900 -0.019 0.000 1.154 606 G CA 1.009 45.990 45.100 -0.197 0.000 0.767 606 G HN 0.403 nan 8.290 nan 0.000 0.552 607 C N 0.169 119.458 119.300 -0.019 0.000 2.429 607 C HA 0.058 4.537 4.460 0.031 0.000 0.277 607 C C 2.774 177.686 174.990 -0.131 0.000 1.262 607 C CA 0.206 59.204 59.018 -0.034 0.000 1.733 607 C CB -0.817 26.819 27.740 -0.174 0.000 2.010 607 C HN 0.336 nan 8.230 nan 0.000 0.483 608 L N 0.576 121.725 121.223 -0.124 0.000 2.083 608 L HA -0.163 4.196 4.340 0.031 0.000 0.209 608 L C 2.606 179.185 176.870 -0.484 0.000 1.083 608 L CA 1.808 56.425 54.840 -0.371 0.000 0.752 608 L CB -1.545 40.369 42.059 -0.242 0.000 0.899 608 L HN 0.533 nan 8.230 nan 0.000 0.433 609 Q N -1.049 118.739 119.800 -0.020 0.000 2.124 609 Q HA -0.160 4.199 4.340 0.031 0.000 0.202 609 Q C 2.296 178.438 176.000 0.238 0.000 0.977 609 Q CA 1.236 57.179 55.803 0.233 0.000 0.850 609 Q CB -0.050 28.811 28.738 0.206 0.000 0.901 609 Q HN 0.331 nan 8.270 nan 0.000 0.429 610 V N 0.971 121.001 119.914 0.192 0.000 2.295 610 V HA -0.255 3.884 4.120 0.031 0.000 0.246 610 V C 2.159 178.406 176.094 0.254 0.000 1.049 610 V CA 1.458 63.908 62.300 0.249 0.000 1.024 610 V CB -0.521 31.499 31.823 0.329 0.000 0.648 610 V HN 0.315 nan 8.190 nan 0.000 0.447 611 L N -0.220 121.144 121.223 0.236 0.000 2.017 611 L HA -0.130 4.229 4.340 0.031 0.000 0.208 611 L C 2.243 179.212 176.870 0.166 0.000 1.073 611 L CA 2.003 56.956 54.840 0.187 0.000 0.745 611 L CB -0.787 41.305 42.059 0.055 0.000 0.894 611 L HN 0.279 nan 8.230 nan 0.000 0.432 612 F N -0.209 119.818 119.950 0.128 0.000 2.095 612 F HA -0.309 4.236 4.527 0.031 0.000 0.298 612 F C 2.420 178.172 175.800 -0.080 0.000 1.104 612 F CA 1.205 59.192 58.000 -0.021 0.000 1.232 612 F CB -0.433 38.575 39.000 0.013 0.000 0.987 612 F HN 0.263 nan 8.300 nan 0.000 0.475 613 D N 0.286 120.857 120.400 0.285 0.000 2.117 613 D HA -0.191 4.468 4.640 0.031 0.000 0.197 613 D C 1.700 178.117 176.300 0.195 0.000 0.987 613 D CA 1.588 55.759 54.000 0.286 0.000 0.829 613 D CB -0.148 40.850 40.800 0.330 0.000 0.961 613 D HN 0.072 nan 8.370 nan 0.000 0.460 614 D N -0.223 120.278 120.400 0.168 0.000 2.117 614 D HA -0.170 4.489 4.640 0.031 0.000 0.197 614 D C 2.029 178.404 176.300 0.126 0.000 0.987 614 D CA 0.554 54.635 54.000 0.133 0.000 0.829 614 D CB -0.374 40.493 40.800 0.112 0.000 0.961 614 D HN 0.359 nan 8.370 nan 0.000 0.460 615 M N 0.759 120.428 119.600 0.115 0.000 2.065 615 M HA -0.218 4.280 4.480 0.031 0.000 0.259 615 M C 2.100 178.452 176.300 0.086 0.000 1.069 615 M CA 1.956 57.316 55.300 0.100 0.000 1.110 615 M CB 0.002 32.637 32.600 0.057 0.000 1.328 615 M HN 0.002 nan 8.290 nan 0.000 0.405 616 A N 0.069 122.887 122.820 -0.003 0.000 1.933 616 A HA -0.186 4.152 4.320 0.031 0.000 0.218 616 A C 1.527 179.162 177.584 0.086 0.000 1.175 616 A CA 2.178 54.206 52.037 -0.015 0.000 0.628 616 A CB -0.809 18.135 19.000 -0.094 0.000 0.814 616 A HN 0.583 nan 8.150 nan 0.000 0.444 617 D N -0.131 120.343 120.400 0.122 0.000 2.129 617 D HA -0.013 4.646 4.640 0.031 0.000 0.220 617 D C 1.904 178.269 176.300 0.109 0.000 0.988 617 D CA 1.028 55.100 54.000 0.119 0.000 0.904 617 D CB -0.561 40.315 40.800 0.126 0.000 1.018 617 D HN 0.350 nan 8.370 nan 0.000 0.444 618 I N -0.350 120.296 120.570 0.126 0.000 2.185 618 I HA -0.277 3.911 4.170 0.031 0.000 0.246 618 I C 2.015 178.237 176.117 0.175 0.000 1.088 618 I CA 1.207 62.589 61.300 0.137 0.000 1.347 618 I CB -0.094 37.992 38.000 0.143 0.000 1.041 618 I HN -0.007 nan 8.210 nan 0.000 0.415 619 F N 0.600 120.565 119.950 0.027 0.000 2.539 619 F HA 0.454 4.999 4.527 0.031 0.000 0.277 619 F C 1.574 177.381 175.800 0.011 0.000 0.925 619 F CA -0.018 57.994 58.000 0.020 0.000 1.193 619 F CB -0.263 38.750 39.000 0.021 0.000 1.128 619 F HN -0.177 nan 8.300 nan 0.000 0.740 620 A N 1.417 124.295 122.820 0.098 0.000 2.511 620 A HA 0.373 4.712 4.320 0.031 0.000 0.242 620 A C 0.441 177.968 177.584 -0.094 0.000 1.069 620 A CA 0.351 52.378 52.037 -0.017 0.000 0.763 620 A CB -0.709 18.317 19.000 0.044 0.000 1.001 620 A HN 0.498 nan 8.150 nan 0.000 0.498 621 T N 0.667 115.144 114.554 -0.128 0.000 2.816 621 T HA 0.307 4.675 4.350 0.031 0.000 0.282 621 T C 1.171 175.846 174.700 -0.041 0.000 0.993 621 T CA -0.034 62.016 62.100 -0.084 0.000 0.994 621 T CB 0.488 69.300 68.868 -0.092 0.000 1.025 621 T HN 0.753 nan 8.240 nan 0.000 0.529 622 L N 0.691 121.900 121.223 -0.025 0.000 2.042 622 L HA -0.034 4.324 4.340 0.031 0.000 0.210 622 L C 2.019 178.878 176.870 -0.018 0.000 1.076 622 L CA 2.015 56.847 54.840 -0.013 0.000 0.749 622 L CB -1.178 40.878 42.059 -0.005 0.000 0.893 622 L HN 0.733 nan 8.230 nan 0.000 0.432 623 D N -0.244 120.142 120.400 -0.024 0.000 2.123 623 D HA -0.198 4.461 4.640 0.031 0.000 0.196 623 D C 2.113 178.397 176.300 -0.027 0.000 0.992 623 D CA 1.605 55.589 54.000 -0.027 0.000 0.833 623 D CB -0.035 40.747 40.800 -0.030 0.000 0.954 623 D HN 0.553 nan 8.370 nan 0.000 0.455 624 E N -0.111 120.074 120.200 -0.025 0.000 2.106 624 E HA -0.136 4.232 4.350 0.031 0.000 0.192 624 E C 2.038 178.649 176.600 0.020 0.000 0.984 624 E CA 0.191 56.588 56.400 -0.004 0.000 0.806 624 E CB -0.018 29.686 29.700 0.008 0.000 0.750 624 E HN 0.101 nan 8.360 nan 0.000 0.458 625 L N 1.689 122.911 121.223 -0.002 0.000 2.017 625 L HA -0.183 4.176 4.340 0.031 0.000 0.208 625 L C 1.872 178.752 176.870 0.016 0.000 1.073 625 L CA 1.858 56.693 54.840 -0.009 0.000 0.745 625 L CB -0.147 41.901 42.059 -0.017 0.000 0.894 625 L HN -0.099 nan 8.230 nan 0.000 0.432 626 K N -1.102 119.297 120.400 -0.000 0.000 2.057 626 K HA -0.127 4.212 4.320 0.031 0.000 0.207 626 K C 2.108 178.692 176.600 -0.027 0.000 1.049 626 K CA 1.568 57.850 56.287 -0.008 0.000 0.931 626 K CB -0.258 32.230 32.500 -0.018 0.000 0.714 626 K HN 0.297 nan 8.250 nan 0.000 0.440 627 S N 0.927 116.601 115.700 -0.043 0.000 2.353 627 S HA -0.159 4.330 4.470 0.031 0.000 0.222 627 S C 1.658 176.175 174.600 -0.138 0.000 1.035 627 S CA 1.221 59.358 58.200 -0.104 0.000 1.025 627 S CB -0.378 62.748 63.200 -0.122 0.000 0.902 627 S HN 0.256 nan 8.310 nan 0.000 0.440 628 F N 2.458 122.266 119.950 -0.237 0.000 2.095 628 F HA -0.195 4.351 4.527 0.030 0.000 0.298 628 F C 2.552 178.129 175.800 -0.371 0.000 1.104 628 F CA 1.721 59.535 58.000 -0.311 0.000 1.232 628 F CB -0.905 37.904 39.000 -0.318 0.000 0.987 628 F HN 0.134 nan 8.300 nan 0.000 0.475 629 T N -0.756 113.779 114.554 -0.031 0.000 2.788 629 T HA -0.222 4.147 4.350 0.031 0.000 0.268 629 T C 1.683 176.351 174.700 -0.054 0.000 1.044 629 T CA 1.539 63.597 62.100 -0.068 0.000 1.139 629 T CB -0.329 68.574 68.868 0.058 0.000 0.867 629 T HN 0.246 nan 8.240 nan 0.000 0.454 630 E N 1.144 121.304 120.200 -0.066 0.000 2.150 630 E HA -0.026 4.343 4.350 0.031 0.000 0.193 630 E C 2.286 178.837 176.600 -0.081 0.000 0.985 630 E CA 1.362 57.730 56.400 -0.054 0.000 0.814 630 E CB -0.833 28.825 29.700 -0.070 0.000 0.752 630 E HN 0.453 nan 8.360 nan 0.000 0.466 631 G N -0.103 108.579 108.800 -0.196 0.000 2.408 631 G HA2 -0.201 3.777 3.960 0.031 0.000 0.217 631 G HA3 -0.201 3.777 3.960 0.031 0.000 0.217 631 G C 1.682 176.603 174.900 0.035 0.000 1.150 631 G CA 0.918 45.869 45.100 -0.249 0.000 0.776 631 G HN 0.253 nan 8.290 nan 0.000 0.542 632 V N 0.910 120.818 119.914 -0.010 0.000 2.343 632 V HA -0.146 3.992 4.120 0.031 0.000 0.247 632 V C 2.659 178.951 176.094 0.330 0.000 1.051 632 V CA 2.212 64.558 62.300 0.078 0.000 1.036 632 V CB -0.363 31.364 31.823 -0.160 0.000 0.654 632 V HN 0.470 nan 8.190 nan 0.000 0.451 633 K N 0.162 120.688 120.400 0.211 0.000 2.147 633 K HA -0.160 4.178 4.320 0.031 0.000 0.205 633 K C 2.249 178.993 176.600 0.238 0.000 1.049 633 K CA 1.387 57.812 56.287 0.231 0.000 0.936 633 K CB -0.073 32.510 32.500 0.137 0.000 0.722 633 K HN 0.360 nan 8.250 nan 0.000 0.446 634 R N -0.773 119.841 120.500 0.189 0.000 2.240 634 R HA -0.070 4.288 4.340 0.031 0.000 0.203 634 R C 0.088 176.580 176.300 0.321 0.000 1.011 634 R CA 0.408 56.612 56.100 0.175 0.000 1.007 634 R CB -0.010 30.326 30.300 0.060 0.000 0.911 634 R HN 0.380 nan 8.270 nan 0.000 0.468 635 W N 2.918 124.313 121.300 0.159 0.000 6.486 635 W HA -0.272 4.406 4.660 0.030 0.000 0.411 635 W C -1.277 175.358 176.519 0.192 0.000 1.595 635 W CA 1.476 58.988 57.345 0.279 0.000 1.075 635 W CB -1.309 28.312 29.460 0.267 0.000 2.798 635 W HN 0.351 nan 8.180 nan 0.000 1.534 636 D N -2.280 118.078 120.400 -0.070 0.000 2.768 636 D HA 0.328 4.987 4.640 0.031 0.000 0.327 636 D C 0.625 176.632 176.300 -0.488 0.000 1.302 636 D CA 0.255 54.059 54.000 -0.325 0.000 0.897 636 D CB 0.178 40.953 40.800 -0.042 0.000 1.420 636 D HN -0.169 nan 8.370 nan 0.000 0.494 637 T N -2.911 111.387 114.554 -0.427 0.000 3.186 637 T HA 0.173 4.542 4.350 0.031 0.000 0.257 637 T C 1.210 175.719 174.700 -0.317 0.000 1.029 637 T CA 0.430 62.273 62.100 -0.429 0.000 0.916 637 T CB -0.716 67.984 68.868 -0.281 0.000 1.041 637 T HN 0.441 nan 8.240 nan 0.000 0.562 638 S N 1.178 116.733 115.700 -0.242 0.000 2.507 638 S HA 0.115 4.604 4.470 0.031 0.000 0.235 638 S C 1.355 175.879 174.600 -0.125 0.000 0.988 638 S CA 0.264 58.389 58.200 -0.126 0.000 0.944 638 S CB -0.579 62.577 63.200 -0.075 0.000 0.762 638 S HN 0.596 nan 8.310 nan 0.000 0.526 639 L N 0.319 121.333 121.223 -0.348 0.000 2.959 639 L HA 0.420 4.778 4.340 0.031 0.000 0.259 639 L C 1.447 177.927 176.870 -0.650 0.000 1.185 639 L CA -0.090 54.437 54.840 -0.522 0.000 0.998 639 L CB 0.029 41.813 42.059 -0.458 0.000 1.337 639 L HN 0.218 nan 8.230 nan 0.000 0.555 640 L N 0.707 121.608 121.223 -0.537 0.000 2.129 640 L HA -0.257 4.101 4.340 0.031 0.000 0.212 640 L C 2.801 179.495 176.870 -0.294 0.000 1.087 640 L CA 1.519 56.085 54.840 -0.456 0.000 0.757 640 L CB -0.628 41.237 42.059 -0.323 0.000 0.896 640 L HN 0.605 nan 8.230 nan 0.000 0.434 641 H N -0.703 118.257 119.070 -0.183 0.000 2.521 641 H HA -0.093 4.482 4.556 0.031 0.000 0.286 641 H C 1.265 176.535 175.328 -0.095 0.000 1.034 641 H CA 0.899 56.877 56.048 -0.116 0.000 1.278 641 H CB -0.224 29.478 29.762 -0.098 0.000 1.386 641 H HN 0.509 nan 8.280 nan 0.000 0.567 642 E N 1.200 121.072 120.200 -0.547 0.000 2.481 642 E HA 0.142 4.510 4.350 0.031 0.000 0.195 642 E C 0.786 177.293 176.600 -0.155 0.000 1.047 642 E CA 0.226 56.433 56.400 -0.321 0.000 0.867 642 E CB 0.300 29.757 29.700 -0.405 0.000 0.858 642 E HN 0.647 nan 8.360 nan 0.000 0.513 643 I N -2.996 117.496 120.570 -0.129 0.000 2.892 643 I HA 0.516 4.705 4.170 0.031 0.000 0.306 643 I C -2.815 173.324 176.117 0.037 0.000 1.078 643 I CA -3.369 57.917 61.300 -0.023 0.000 1.032 643 I CB 1.607 39.609 38.000 0.003 0.000 1.229 643 I HN -0.382 nan 8.210 nan 0.000 0.435 644 P HA 0.035 nan 4.420 nan 0.000 0.267 644 P C 0.468 177.825 177.300 0.096 0.000 1.200 644 P CA 0.083 63.283 63.100 0.167 0.000 0.772 644 P CB 0.650 32.595 31.700 0.409 0.000 0.855 645 E N 1.621 121.855 120.200 0.058 0.000 2.114 645 E HA -0.312 4.057 4.350 0.031 0.000 0.199 645 E C 1.467 178.066 176.600 -0.003 0.000 1.008 645 E CA 2.125 58.536 56.400 0.019 0.000 0.810 645 E CB -0.248 29.458 29.700 0.010 0.000 0.739 645 E HN 0.649 nan 8.360 nan 0.000 0.456 646 C N -0.255 119.010 119.300 -0.057 0.000 2.440 646 C HA -0.008 4.471 4.460 0.031 0.000 0.278 646 C C 2.610 177.573 174.990 -0.046 0.000 1.295 646 C CA 0.600 59.541 59.018 -0.129 0.000 1.738 646 C CB -0.948 26.574 27.740 -0.363 0.000 1.987 646 C HN 0.404 nan 8.230 nan 0.000 0.492 647 M N 0.634 120.245 119.600 0.019 0.000 2.200 647 M HA -0.133 4.365 4.480 0.031 0.000 0.265 647 M C 2.685 179.136 176.300 0.251 0.000 1.066 647 M CA 1.643 57.055 55.300 0.186 0.000 1.127 647 M CB -0.575 32.183 32.600 0.263 0.000 1.379 647 M HN 0.513 nan 8.290 nan 0.000 0.420 648 Q N -0.368 119.504 119.800 0.119 0.000 2.061 648 Q HA -0.159 4.200 4.340 0.031 0.000 0.204 648 Q C 2.004 178.083 176.000 0.132 0.000 0.984 648 Q CA 2.023 57.867 55.803 0.068 0.000 0.846 648 Q CB -0.417 28.321 28.738 -0.001 0.000 0.902 648 Q HN 0.498 nan 8.270 nan 0.000 0.421 649 T N 0.433 115.046 114.554 0.098 0.000 2.720 649 T HA -0.221 4.148 4.350 0.031 0.000 0.268 649 T C 1.967 176.762 174.700 0.158 0.000 1.037 649 T CA 1.227 63.379 62.100 0.087 0.000 1.144 649 T CB -0.598 68.284 68.868 0.024 0.000 0.864 649 T HN 0.434 nan 8.240 nan 0.000 0.444 650 C N 0.738 120.174 119.300 0.226 0.000 2.413 650 C HA -0.089 4.389 4.460 0.031 0.000 0.276 650 C C 2.328 177.627 174.990 0.516 0.000 1.236 650 C CA 0.472 59.698 59.018 0.347 0.000 1.735 650 C CB -1.589 26.402 27.740 0.418 0.000 2.031 650 C HN 0.579 nan 8.230 nan 0.000 0.474 651 F N 1.547 121.705 119.950 0.347 0.000 2.134 651 F HA -0.073 4.473 4.527 0.032 0.000 0.299 651 F C 2.365 178.301 175.800 0.226 0.000 1.097 651 F CA 2.002 60.093 58.000 0.151 0.000 1.264 651 F CB -0.395 38.387 39.000 -0.364 0.000 1.001 651 F HN 0.196 nan 8.300 nan 0.000 0.479 652 K N -0.374 120.250 120.400 0.374 0.000 2.057 652 K HA -0.109 4.230 4.320 0.031 0.000 0.206 652 K C 2.014 178.715 176.600 0.168 0.000 1.050 652 K CA 1.457 57.898 56.287 0.257 0.000 0.935 652 K CB -0.479 32.117 32.500 0.160 0.000 0.715 652 K HN 0.161 nan 8.250 nan 0.000 0.439 653 V N 0.361 120.366 119.914 0.151 0.000 2.343 653 V HA -0.244 3.894 4.120 0.031 0.000 0.247 653 V C 1.930 178.103 176.094 0.132 0.000 1.051 653 V CA 1.823 64.179 62.300 0.092 0.000 1.036 653 V CB -0.494 31.353 31.823 0.040 0.000 0.654 653 V HN 0.503 nan 8.190 nan 0.000 0.451 654 W N 0.139 121.436 121.300 -0.004 0.000 2.355 654 W HA -0.232 4.447 4.660 0.031 0.000 0.309 654 W C 2.291 178.676 176.519 -0.224 0.000 1.206 654 W CA 1.658 58.956 57.345 -0.078 0.000 1.284 654 W CB -0.525 28.965 29.460 0.049 0.000 1.145 654 W HN 0.271 nan 8.180 nan 0.000 0.502 655 F N 1.507 121.152 119.950 -0.508 0.000 2.171 655 F HA -0.164 4.382 4.527 0.032 0.000 0.300 655 F C 2.626 178.090 175.800 -0.560 0.000 1.090 655 F CA 2.312 59.788 58.000 -0.874 0.000 1.293 655 F CB -0.422 38.273 39.000 -0.508 0.000 1.013 655 F HN -0.164 nan 8.300 nan 0.000 0.486 656 K N 0.260 120.510 120.400 -0.249 0.000 2.025 656 K HA -0.211 4.127 4.320 0.031 0.000 0.207 656 K C 2.110 178.559 176.600 -0.252 0.000 1.049 656 K CA 1.513 57.674 56.287 -0.210 0.000 0.933 656 K CB -0.446 32.023 32.500 -0.052 0.000 0.714 656 K HN 0.308 nan 8.250 nan 0.000 0.438 657 L N 1.361 122.459 121.223 -0.210 0.000 2.013 657 L HA -0.226 4.132 4.340 0.031 0.000 0.212 657 L C 2.208 178.885 176.870 -0.322 0.000 1.073 657 L CA 1.750 56.486 54.840 -0.174 0.000 0.753 657 L CB -0.432 41.577 42.059 -0.083 0.000 0.890 657 L HN 0.269 nan 8.230 nan 0.000 0.432 658 M N -0.529 118.703 119.600 -0.614 0.000 2.106 658 M HA -0.261 4.238 4.480 0.031 0.000 0.259 658 M C 2.251 178.334 176.300 -0.363 0.000 1.068 658 M CA 2.068 57.020 55.300 -0.579 0.000 1.100 658 M CB -1.433 30.535 32.600 -1.053 0.000 1.351 658 M HN 0.540 nan 8.290 nan 0.000 0.404 659 E N 0.580 120.502 120.200 -0.463 0.000 2.051 659 E HA -0.214 4.154 4.350 0.031 0.000 0.192 659 E C 1.752 178.248 176.600 -0.174 0.000 0.991 659 E CA 1.546 57.760 56.400 -0.310 0.000 0.799 659 E CB 0.021 29.515 29.700 -0.344 0.000 0.748 659 E HN 0.607 nan 8.360 nan 0.000 0.449 660 E N 0.075 120.182 120.200 -0.156 0.000 2.051 660 E HA -0.160 4.209 4.350 0.031 0.000 0.192 660 E C 2.260 178.811 176.600 -0.082 0.000 0.991 660 E CA 1.435 57.779 56.400 -0.093 0.000 0.799 660 E CB 0.067 29.727 29.700 -0.066 0.000 0.748 660 E HN 0.147 nan 8.360 nan 0.000 0.449 661 V N 1.719 121.576 119.914 -0.095 0.000 2.358 661 V HA -0.271 3.867 4.120 0.031 0.000 0.246 661 V C 1.732 177.800 176.094 -0.044 0.000 1.047 661 V CA 1.966 64.228 62.300 -0.063 0.000 1.035 661 V CB -0.622 31.173 31.823 -0.048 0.000 0.658 661 V HN 0.289 nan 8.190 nan 0.000 0.452 662 N N 0.429 119.099 118.700 -0.049 0.000 2.244 662 N HA -0.156 4.602 4.740 0.031 0.000 0.183 662 N C 1.639 177.126 175.510 -0.039 0.000 1.016 662 N CA 1.095 54.126 53.050 -0.033 0.000 0.866 662 N CB -0.178 38.292 38.487 -0.028 0.000 0.980 662 N HN 0.463 nan 8.380 nan 0.000 0.430 663 N N 1.337 120.008 118.700 -0.048 0.000 2.166 663 N HA -0.127 4.631 4.740 0.031 0.000 0.186 663 N C 0.912 176.403 175.510 -0.032 0.000 1.019 663 N CA 1.114 54.141 53.050 -0.040 0.000 0.856 663 N CB -0.299 38.162 38.487 -0.042 0.000 0.993 663 N HN 0.254 nan 8.380 nan 0.000 0.426 664 D N 0.037 120.417 120.400 -0.034 0.000 2.149 664 D HA -0.033 4.626 4.640 0.031 0.000 0.201 664 D C 2.019 178.303 176.300 -0.027 0.000 0.972 664 D CA 0.353 54.335 54.000 -0.029 0.000 0.835 664 D CB -0.201 40.580 40.800 -0.031 0.000 0.966 664 D HN 0.008 nan 8.370 nan 0.000 0.476 665 V N 0.657 120.555 119.914 -0.027 0.000 2.407 665 V HA -0.189 3.950 4.120 0.031 0.000 0.248 665 V C 2.583 178.663 176.094 -0.024 0.000 1.055 665 V CA 0.903 63.188 62.300 -0.026 0.000 1.049 665 V CB -0.323 31.487 31.823 -0.022 0.000 0.662 665 V HN 0.066 nan 8.190 nan 0.000 0.455 666 V N -0.057 119.843 119.914 -0.023 0.000 2.343 666 V HA -0.286 3.853 4.120 0.031 0.000 0.247 666 V C 2.423 178.506 176.094 -0.019 0.000 1.051 666 V CA 2.076 64.364 62.300 -0.020 0.000 1.036 666 V CB -0.723 31.087 31.823 -0.022 0.000 0.654 666 V HN 0.567 nan 8.190 nan 0.000 0.451 667 K N -0.166 120.222 120.400 -0.019 0.000 2.009 667 K HA -0.149 4.190 4.320 0.031 0.000 0.210 667 K C 2.057 178.647 176.600 -0.017 0.000 1.049 667 K CA 1.655 57.931 56.287 -0.017 0.000 0.929 667 K CB -0.506 31.984 32.500 -0.017 0.000 0.714 667 K HN 0.346 nan 8.250 nan 0.000 0.440 668 V N 1.498 121.400 119.914 -0.020 0.000 2.323 668 V HA -0.185 3.954 4.120 0.031 0.000 0.244 668 V C 2.142 178.223 176.094 -0.021 0.000 1.041 668 V CA 1.568 63.856 62.300 -0.020 0.000 1.025 668 V CB -0.347 31.462 31.823 -0.023 0.000 0.656 668 V HN 0.313 nan 8.190 nan 0.000 0.451 669 Q N -0.393 119.393 119.800 -0.023 0.000 2.424 669 Q HA 0.144 4.502 4.340 0.031 0.000 0.204 669 Q C 1.918 177.907 176.000 -0.018 0.000 0.933 669 Q CA 0.924 56.712 55.803 -0.024 0.000 0.929 669 Q CB 0.344 29.066 28.738 -0.027 0.000 1.037 669 Q HN 0.798 nan 8.270 nan 0.000 0.511 670 G N 2.185 110.976 108.800 -0.016 0.000 2.179 670 G HA2 -0.277 3.702 3.960 0.031 0.000 0.260 670 G HA3 -0.277 3.702 3.960 0.031 0.000 0.260 670 G C 0.270 175.163 174.900 -0.012 0.000 0.977 670 G CA 0.710 45.802 45.100 -0.014 0.000 0.641 670 G HN 0.372 nan 8.290 nan 0.000 0.533 671 R N 0.094 120.588 120.500 -0.010 0.000 2.728 671 R HA 0.457 4.815 4.340 0.031 0.000 0.274 671 R C -1.818 174.477 176.300 -0.009 0.000 1.030 671 R CA -0.468 55.627 56.100 -0.009 0.000 0.876 671 R CB 0.034 30.331 30.300 -0.005 0.000 1.259 671 R HN 0.128 nan 8.270 nan 0.000 0.468 672 D N 1.399 121.790 120.400 -0.015 0.000 2.425 672 D HA 0.127 4.786 4.640 0.031 0.000 0.247 672 D C 0.084 176.375 176.300 -0.015 0.000 1.147 672 D CA 0.097 54.082 54.000 -0.025 0.000 0.879 672 D CB 0.673 41.450 40.800 -0.039 0.000 1.179 672 D HN 0.395 nan 8.370 nan 0.000 0.456 673 M N 4.884 124.479 119.600 -0.010 0.000 2.603 673 M HA 0.000 4.499 4.480 0.031 0.000 0.380 673 M C 1.170 177.450 176.300 -0.035 0.000 1.158 673 M CA -0.423 54.905 55.300 0.047 0.000 0.921 673 M CB 0.193 32.855 32.600 0.103 0.000 1.417 673 M HN 0.361 nan 8.290 nan 0.000 0.523 674 L N 2.057 123.209 121.223 -0.118 0.000 2.043 674 L HA -0.096 4.263 4.340 0.031 0.000 0.212 674 L C 2.375 179.075 176.870 -0.283 0.000 1.075 674 L CA 2.515 57.217 54.840 -0.231 0.000 0.752 674 L CB -0.572 41.328 42.059 -0.265 0.000 0.891 674 L HN 0.362 nan 8.230 nan 0.000 0.432 675 A N -1.468 121.195 122.820 -0.262 0.000 1.940 675 A HA -0.248 4.091 4.320 0.031 0.000 0.219 675 A C 2.174 179.607 177.584 -0.252 0.000 1.176 675 A CA 1.837 53.705 52.037 -0.282 0.000 0.631 675 A CB -0.901 17.912 19.000 -0.312 0.000 0.814 675 A HN 0.703 nan 8.150 nan 0.000 0.446 676 H N -0.518 118.489 119.070 -0.105 0.000 2.333 676 H HA 0.029 4.604 4.556 0.031 0.000 0.302 676 H C 2.131 177.405 175.328 -0.090 0.000 1.075 676 H CA 1.573 57.568 56.048 -0.088 0.000 1.348 676 H CB -0.351 29.354 29.762 -0.095 0.000 1.393 676 H HN 0.488 nan 8.280 nan 0.000 0.509 677 I N 0.811 121.393 120.570 0.021 0.000 2.454 677 I HA -0.220 3.969 4.170 0.031 0.000 0.254 677 I C 2.460 178.631 176.117 0.089 0.000 1.156 677 I CA 0.912 62.234 61.300 0.037 0.000 1.433 677 I CB -0.122 37.892 38.000 0.022 0.000 1.082 677 I HN 0.120 nan 8.210 nan 0.000 0.432 678 R N 0.852 121.270 120.500 -0.135 0.000 2.115 678 R HA -0.121 4.237 4.340 0.031 0.000 0.230 678 R C 2.207 178.639 176.300 0.221 0.000 1.111 678 R CA 1.017 57.062 56.100 -0.093 0.000 0.976 678 R CB -0.198 29.909 30.300 -0.322 0.000 0.870 678 R HN 0.356 nan 8.270 nan 0.000 0.445 679 K N 0.150 120.627 120.400 0.128 0.000 2.032 679 K HA -0.115 4.224 4.320 0.031 0.000 0.209 679 K C -0.853 175.842 176.600 0.158 0.000 1.048 679 K CA 1.411 57.781 56.287 0.139 0.000 0.927 679 K CB -0.860 31.699 32.500 0.098 0.000 0.712 679 K HN 0.139 nan 8.250 nan 0.000 0.441 680 P HA -0.143 nan 4.420 nan 0.000 0.218 680 P C 0.604 177.956 177.300 0.087 0.000 1.149 680 P CA 1.074 64.190 63.100 0.027 0.000 0.817 680 P CB -0.077 31.587 31.700 -0.061 0.000 0.785 681 W N 0.517 122.028 121.300 0.351 0.000 2.381 681 W HA -0.063 4.615 4.660 0.029 0.000 0.301 681 W C 2.391 179.223 176.519 0.522 0.000 1.205 681 W CA 0.837 58.495 57.345 0.522 0.000 1.285 681 W CB -0.628 29.310 29.460 0.796 0.000 1.133 681 W HN 0.018 nan 8.180 nan 0.000 0.521 682 E N 0.021 120.590 120.200 0.614 0.000 2.051 682 E HA -0.246 4.122 4.350 0.031 0.000 0.192 682 E C 2.056 178.841 176.600 0.309 0.000 0.991 682 E CA 1.366 58.025 56.400 0.432 0.000 0.799 682 E CB -0.611 29.273 29.700 0.307 0.000 0.748 682 E HN 0.120 nan 8.360 nan 0.000 0.449 683 L N 0.524 121.871 121.223 0.206 0.000 2.012 683 L HA -0.236 4.123 4.340 0.031 0.000 0.210 683 L C 2.244 179.177 176.870 0.105 0.000 1.073 683 L CA 1.762 56.652 54.840 0.083 0.000 0.748 683 L CB -0.669 41.351 42.059 -0.064 0.000 0.891 683 L HN 0.186 nan 8.230 nan 0.000 0.431 684 Y N -1.237 119.068 120.300 0.008 0.000 2.070 684 Y HA -0.353 4.216 4.550 0.032 0.000 0.280 684 Y C 2.260 178.159 175.900 -0.001 0.000 1.148 684 Y CA 2.094 60.157 58.100 -0.060 0.000 1.125 684 Y CB -0.357 38.031 38.460 -0.120 0.000 0.975 684 Y HN 0.172 nan 8.280 nan 0.000 0.492 685 F N 0.763 120.828 119.950 0.192 0.000 2.186 685 F HA -0.220 4.326 4.527 0.031 0.000 0.299 685 F C 2.142 177.949 175.800 0.013 0.000 1.090 685 F CA 1.448 59.478 58.000 0.049 0.000 1.307 685 F CB -0.684 38.352 39.000 0.059 0.000 1.019 685 F HN 0.150 nan 8.300 nan 0.000 0.489 686 N N -0.437 118.367 118.700 0.174 0.000 2.166 686 N HA -0.172 4.587 4.740 0.031 0.000 0.186 686 N C 1.945 177.411 175.510 -0.072 0.000 1.019 686 N CA 1.495 54.575 53.050 0.051 0.000 0.856 686 N CB -0.953 37.558 38.487 0.041 0.000 0.993 686 N HN 0.246 nan 8.380 nan 0.000 0.426 687 C N -0.045 119.173 119.300 -0.136 0.000 2.435 687 C HA -0.061 4.418 4.460 0.031 0.000 0.279 687 C C 2.399 177.155 174.990 -0.390 0.000 1.321 687 C CA -0.092 58.744 59.018 -0.302 0.000 1.752 687 C CB -1.337 26.201 27.740 -0.337 0.000 1.959 687 C HN 0.400 nan 8.230 nan 0.000 0.500 688 Y N 0.702 120.781 120.300 -0.369 0.000 2.128 688 Y HA -0.200 4.369 4.550 0.030 0.000 0.284 688 Y C 2.568 178.328 175.900 -0.232 0.000 1.154 688 Y CA 1.851 59.753 58.100 -0.331 0.000 1.149 688 Y CB -0.622 37.643 38.460 -0.324 0.000 0.976 688 Y HN 0.109 nan 8.280 nan 0.000 0.505 689 V N -0.370 119.536 119.914 -0.013 0.000 2.358 689 V HA -0.305 3.834 4.120 0.031 0.000 0.246 689 V C 2.260 178.246 176.094 -0.181 0.000 1.047 689 V CA 2.021 64.285 62.300 -0.060 0.000 1.035 689 V CB -0.665 31.137 31.823 -0.035 0.000 0.658 689 V HN 0.322 nan 8.190 nan 0.000 0.452 690 Q N 0.690 120.308 119.800 -0.303 0.000 2.050 690 Q HA -0.226 4.132 4.340 0.031 0.000 0.202 690 Q C 2.094 177.698 176.000 -0.660 0.000 0.980 690 Q CA 2.114 57.578 55.803 -0.565 0.000 0.840 690 Q CB -0.373 27.953 28.738 -0.686 0.000 0.898 690 Q HN 0.693 nan 8.270 nan 0.000 0.424 691 E N -0.468 119.444 120.200 -0.479 0.000 2.070 691 E HA -0.272 4.096 4.350 0.031 0.000 0.197 691 E C 2.075 178.678 176.600 0.005 0.000 1.004 691 E CA 1.408 57.678 56.400 -0.217 0.000 0.805 691 E CB -0.187 29.318 29.700 -0.326 0.000 0.744 691 E HN 0.158 nan 8.360 nan 0.000 0.451 692 R N 1.315 121.791 120.500 -0.040 0.000 2.115 692 R HA -0.100 4.258 4.340 0.031 0.000 0.226 692 R C 1.913 178.244 176.300 0.052 0.000 1.100 692 R CA 1.216 57.339 56.100 0.037 0.000 0.980 692 R CB -0.095 30.219 30.300 0.024 0.000 0.875 692 R HN 0.084 nan 8.270 nan 0.000 0.445 693 E N -0.527 119.658 120.200 -0.026 0.000 2.077 693 E HA -0.201 4.168 4.350 0.031 0.000 0.193 693 E C 1.691 178.397 176.600 0.177 0.000 0.989 693 E CA 1.093 57.497 56.400 0.006 0.000 0.800 693 E CB -0.298 29.336 29.700 -0.110 0.000 0.746 693 E HN 0.419 nan 8.360 nan 0.000 0.452 694 W N 0.815 122.187 121.300 0.120 0.000 2.381 694 W HA -0.101 4.577 4.660 0.031 0.000 0.301 694 W C 2.302 178.932 176.519 0.185 0.000 1.205 694 W CA 0.252 57.720 57.345 0.205 0.000 1.285 694 W CB -1.280 28.366 29.460 0.310 0.000 1.133 694 W HN 0.131 nan 8.180 nan 0.000 0.521 695 L N 1.131 122.584 121.223 0.384 0.000 2.042 695 L HA -0.180 4.179 4.340 0.031 0.000 0.210 695 L C 2.034 179.017 176.870 0.188 0.000 1.076 695 L CA 2.066 57.060 54.840 0.257 0.000 0.749 695 L CB -1.034 41.149 42.059 0.205 0.000 0.893 695 L HN -0.018 nan 8.230 nan 0.000 0.432 696 E N -0.842 119.455 120.200 0.162 0.000 2.274 696 E HA -0.063 4.305 4.350 0.031 0.000 0.194 696 E C 1.756 178.431 176.600 0.125 0.000 0.996 696 E CA 0.786 57.256 56.400 0.117 0.000 0.840 696 E CB -0.125 29.625 29.700 0.084 0.000 0.772 696 E HN 0.619 nan 8.360 nan 0.000 0.491 697 A N 0.284 123.209 122.820 0.175 0.000 2.308 697 A HA 0.311 4.650 4.320 0.031 0.000 0.217 697 A C 1.549 179.246 177.584 0.188 0.000 1.216 697 A CA 0.535 52.675 52.037 0.173 0.000 0.864 697 A CB -0.138 18.981 19.000 0.198 0.000 0.902 697 A HN 0.253 nan 8.150 nan 0.000 0.499 698 G N -1.171 107.738 108.800 0.181 0.000 2.283 698 G HA2 -0.333 3.646 3.960 0.031 0.000 0.280 698 G HA3 -0.333 3.646 3.960 0.031 0.000 0.280 698 G C -0.032 174.955 174.900 0.146 0.000 1.029 698 G CA 0.702 45.887 45.100 0.141 0.000 0.840 698 G HN 0.872 nan 8.290 nan 0.000 0.505 699 Y N 0.007 120.345 120.300 0.064 0.000 2.313 699 Y HA 0.626 5.195 4.550 0.031 0.000 0.332 699 Y C 0.407 176.219 175.900 -0.146 0.000 1.071 699 Y CA -1.405 56.667 58.100 -0.046 0.000 1.169 699 Y CB 0.664 39.084 38.460 -0.067 0.000 1.192 699 Y HN 0.158 nan 8.280 nan 0.000 0.487 700 I N 9.783 129.786 120.570 -0.945 0.000 2.359 700 I HA 0.307 4.495 4.170 0.031 0.000 0.284 700 I C -2.274 173.142 176.117 -1.168 0.000 1.018 700 I CA -2.169 58.657 61.300 -0.790 0.000 1.173 700 I CB 1.209 38.952 38.000 -0.428 0.000 1.326 700 I HN 0.520 nan 8.210 nan 0.000 0.462 701 P HA 0.111 nan 4.420 nan 0.000 0.273 701 P C 0.013 177.132 177.300 -0.301 0.000 1.250 701 P CA -0.331 62.382 63.100 -0.645 0.000 0.793 701 P CB 0.342 31.712 31.700 -0.550 0.000 1.011 702 T N -2.124 112.364 114.554 -0.110 0.000 2.748 702 T HA 0.046 4.415 4.350 0.031 0.000 0.304 702 T C 0.925 175.683 174.700 0.096 0.000 1.041 702 T CA -0.085 62.011 62.100 -0.007 0.000 1.033 702 T CB -0.174 68.721 68.868 0.044 0.000 0.995 702 T HN 0.177 nan 8.240 nan 0.000 0.536 703 F N 0.693 120.636 119.950 -0.012 0.000 2.095 703 F HA -0.027 4.518 4.527 0.031 0.000 0.298 703 F C 2.554 178.451 175.800 0.162 0.000 1.104 703 F CA 2.105 60.148 58.000 0.072 0.000 1.232 703 F CB -0.421 38.635 39.000 0.094 0.000 0.987 703 F HN 0.930 nan 8.300 nan 0.000 0.475 704 E N -0.105 120.209 120.200 0.191 0.000 2.047 704 E HA -0.273 4.095 4.350 0.031 0.000 0.191 704 E C 2.281 178.944 176.600 0.104 0.000 0.987 704 E CA 1.382 57.850 56.400 0.113 0.000 0.799 704 E CB -0.391 29.394 29.700 0.142 0.000 0.752 704 E HN 0.613 nan 8.360 nan 0.000 0.449 705 E N -0.530 119.753 120.200 0.138 0.000 2.077 705 E HA -0.242 4.126 4.350 0.031 0.000 0.193 705 E C 1.978 178.735 176.600 0.261 0.000 0.989 705 E CA 1.178 57.694 56.400 0.193 0.000 0.800 705 E CB -0.281 29.521 29.700 0.170 0.000 0.746 705 E HN 0.418 nan 8.360 nan 0.000 0.452 706 Y N 1.097 121.422 120.300 0.041 0.000 2.128 706 Y HA -0.239 4.330 4.550 0.031 0.000 0.284 706 Y C 1.985 177.976 175.900 0.151 0.000 1.154 706 Y CA 1.829 59.971 58.100 0.069 0.000 1.149 706 Y CB -0.200 38.158 38.460 -0.170 0.000 0.976 706 Y HN 0.022 nan 8.280 nan 0.000 0.505 707 L N 0.157 121.349 121.223 -0.051 0.000 2.093 707 L HA -0.199 4.160 4.340 0.031 0.000 0.208 707 L C 2.495 179.345 176.870 -0.033 0.000 1.085 707 L CA 1.558 56.315 54.840 -0.137 0.000 0.755 707 L CB -0.593 41.367 42.059 -0.164 0.000 0.904 707 L HN 0.147 nan 8.230 nan 0.000 0.435 708 K N 0.036 120.468 120.400 0.053 0.000 2.089 708 K HA -0.186 4.153 4.320 0.031 0.000 0.210 708 K C 1.890 178.528 176.600 0.063 0.000 1.048 708 K CA 2.211 58.552 56.287 0.090 0.000 0.926 708 K CB -0.392 32.189 32.500 0.136 0.000 0.714 708 K HN 0.165 nan 8.250 nan 0.000 0.448 709 T N -1.094 113.506 114.554 0.077 0.000 2.866 709 T HA 0.039 4.407 4.350 0.031 0.000 0.250 709 T C 1.470 176.067 174.700 -0.172 0.000 1.033 709 T CA 1.005 63.073 62.100 -0.053 0.000 1.145 709 T CB -0.374 68.444 68.868 -0.084 0.000 0.866 709 T HN 0.177 nan 8.240 nan 0.000 0.434 710 Y N 1.297 121.405 120.300 -0.321 0.000 2.439 710 Y HA 0.160 4.729 4.550 0.031 0.000 0.292 710 Y C 2.557 178.314 175.900 -0.238 0.000 1.130 710 Y CA 0.440 58.304 58.100 -0.393 0.000 1.254 710 Y CB -0.190 37.769 38.460 -0.835 0.000 1.000 710 Y HN 0.205 nan 8.280 nan 0.000 0.554 711 A N -0.254 122.538 122.820 -0.047 0.000 2.066 711 A HA -0.080 4.258 4.320 0.031 0.000 0.218 711 A C 2.033 179.619 177.584 0.003 0.000 1.157 711 A CA 1.233 53.267 52.037 -0.005 0.000 0.670 711 A CB -0.663 18.339 19.000 0.003 0.000 0.804 711 A HN 0.501 nan 8.150 nan 0.000 0.453 712 I N -0.127 120.427 120.570 -0.027 0.000 2.429 712 I HA -0.144 4.044 4.170 0.031 0.000 0.247 712 I C 2.771 178.878 176.117 -0.016 0.000 1.099 712 I CA 1.208 62.491 61.300 -0.029 0.000 1.422 712 I CB -0.206 37.745 38.000 -0.081 0.000 1.112 712 I HN 0.439 nan 8.210 nan 0.000 0.430 713 S N 0.489 116.094 115.700 -0.158 0.000 2.442 713 S HA -0.158 4.330 4.470 0.031 0.000 0.236 713 S C 2.071 176.619 174.600 -0.087 0.000 1.007 713 S CA 1.148 59.169 58.200 -0.299 0.000 0.965 713 S CB -0.894 61.910 63.200 -0.660 0.000 0.773 713 S HN 0.328 nan 8.310 nan 0.000 0.504 714 V N 1.768 121.700 119.914 0.030 0.000 2.490 714 V HA 0.184 4.322 4.120 0.031 0.000 0.250 714 V C 1.544 177.826 176.094 0.312 0.000 1.061 714 V CA 1.873 64.262 62.300 0.148 0.000 1.064 714 V CB -0.809 31.130 31.823 0.193 0.000 0.670 714 V HN 1.046 nan 8.190 nan 0.000 0.461 715 G N -0.956 108.041 108.800 0.328 0.000 2.155 715 G HA2 -0.187 3.791 3.960 0.031 0.000 0.135 715 G HA3 -0.187 3.791 3.960 0.031 0.000 0.135 715 G C 0.303 175.329 174.900 0.209 0.000 1.023 715 G CA 0.262 45.528 45.100 0.276 0.000 0.688 715 G HN 0.528 nan 8.290 nan 0.000 0.499 716 L N 1.059 122.327 121.223 0.076 0.000 2.156 716 L HA 0.326 4.685 4.340 0.031 0.000 0.208 716 L C 2.561 179.447 176.870 0.027 0.000 1.095 716 L CA 3.151 57.836 54.840 -0.259 0.000 0.770 716 L CB -0.688 40.802 42.059 -0.949 0.000 0.914 716 L HN 0.344 nan 8.230 nan 0.000 0.439 717 G N 0.020 108.897 108.800 0.129 0.000 2.511 717 G HA2 -0.220 3.759 3.960 0.031 0.000 0.216 717 G HA3 -0.220 3.759 3.960 0.031 0.000 0.216 717 G C -0.674 174.256 174.900 0.050 0.000 1.218 717 G CA 0.979 46.214 45.100 0.225 0.000 0.788 717 G HN 0.356 nan 8.290 nan 0.000 0.560 718 P HA -0.006 nan 4.420 nan 0.000 0.219 718 P C 2.090 179.238 177.300 -0.253 0.000 1.150 718 P CA 1.450 64.090 63.100 -0.768 0.000 0.814 718 P CB -0.190 30.507 31.700 -1.672 0.000 0.787 719 C N -2.960 116.309 119.300 -0.052 0.000 2.576 719 C HA 0.184 4.662 4.460 0.031 0.000 0.267 719 C C 2.122 177.364 174.990 0.419 0.000 1.364 719 C CA 0.829 59.943 59.018 0.160 0.000 1.723 719 C CB -2.002 25.836 27.740 0.162 0.000 1.778 719 C HN 0.263 nan 8.230 nan 0.000 0.572 720 T N -2.117 112.652 114.554 0.359 0.000 3.056 720 T HA 0.090 4.459 4.350 0.031 0.000 0.243 720 T C 1.455 176.311 174.700 0.260 0.000 0.995 720 T CA 0.587 62.960 62.100 0.454 0.000 1.091 720 T CB -0.504 68.683 68.868 0.532 0.000 0.990 720 T HN 0.309 nan 8.240 nan 0.000 0.464 721 L N 1.771 123.052 121.223 0.097 0.000 1.976 721 L HA 0.056 4.414 4.340 0.031 0.000 0.209 721 L C 2.681 179.495 176.870 -0.093 0.000 1.071 721 L CA 1.975 56.664 54.840 -0.251 0.000 0.746 721 L CB -1.094 40.594 42.059 -0.617 0.000 0.890 721 L HN 0.280 nan 8.230 nan 0.000 0.432 722 Q N -0.547 119.257 119.800 0.006 0.000 2.061 722 Q HA -0.175 4.184 4.340 0.031 0.000 0.204 722 Q C -0.272 175.716 176.000 -0.020 0.000 0.984 722 Q CA 2.352 58.174 55.803 0.031 0.000 0.846 722 Q CB -1.177 27.639 28.738 0.130 0.000 0.902 722 Q HN 0.450 nan 8.270 nan 0.000 0.421 723 P HA -0.173 nan 4.420 nan 0.000 0.216 723 P C 1.302 178.409 177.300 -0.321 0.000 1.153 723 P CA 1.210 64.213 63.100 -0.161 0.000 0.848 723 P CB -0.258 31.357 31.700 -0.142 0.000 0.787 724 I N -4.274 116.137 120.570 -0.265 0.000 2.676 724 I HA -0.096 4.092 4.170 0.031 0.000 0.259 724 I C 1.726 177.743 176.117 -0.167 0.000 1.194 724 I CA 1.321 62.467 61.300 -0.256 0.000 1.473 724 I CB -0.972 36.971 38.000 -0.095 0.000 1.096 724 I HN -0.162 nan 8.210 nan 0.000 0.443 725 L N 0.762 121.909 121.223 -0.128 0.000 2.465 725 L HA 0.028 4.387 4.340 0.031 0.000 0.224 725 L C 1.996 178.818 176.870 -0.080 0.000 1.145 725 L CA 0.729 55.511 54.840 -0.096 0.000 0.834 725 L CB -0.235 41.776 42.059 -0.081 0.000 0.944 725 L HN 0.349 nan 8.230 nan 0.000 0.451 726 L N -1.272 119.893 121.223 -0.096 0.000 2.607 726 L HA 0.083 4.442 4.340 0.031 0.000 0.228 726 L C 2.095 178.936 176.870 -0.048 0.000 1.123 726 L CA -0.047 54.753 54.840 -0.067 0.000 0.890 726 L CB -0.044 41.976 42.059 -0.064 0.000 1.103 726 L HN 0.296 nan 8.230 nan 0.000 0.468 727 M N -0.567 118.988 119.600 -0.077 0.000 2.254 727 M HA 0.011 4.510 4.480 0.031 0.000 0.265 727 M C 1.709 178.072 176.300 0.104 0.000 1.066 727 M CA 1.691 56.992 55.300 0.003 0.000 1.123 727 M CB -0.014 32.480 32.600 -0.176 0.000 1.388 727 M HN 0.461 nan 8.290 nan 0.000 0.425 728 G N -0.532 108.286 108.800 0.030 0.000 2.905 728 G HA2 -0.136 3.842 3.960 0.031 0.000 0.196 728 G HA3 -0.136 3.842 3.960 0.031 0.000 0.196 728 G C -0.084 174.821 174.900 0.009 0.000 1.044 728 G CA -0.592 44.524 45.100 0.028 0.000 0.778 728 G HN 0.404 nan 8.290 nan 0.000 0.474 729 E N 0.695 120.901 120.200 0.010 0.000 2.398 729 E HA 0.403 4.772 4.350 0.031 0.000 0.263 729 E C -0.023 176.560 176.600 -0.028 0.000 1.046 729 E CA -0.487 55.908 56.400 -0.009 0.000 0.908 729 E CB 1.394 31.088 29.700 -0.011 0.000 0.963 729 E HN 0.291 nan 8.360 nan 0.000 0.431 730 L N 3.846 125.051 121.223 -0.030 0.000 2.410 730 L HA 0.085 4.443 4.340 0.031 0.000 0.273 730 L C -0.986 175.853 176.870 -0.052 0.000 1.144 730 L CA 0.162 54.980 54.840 -0.038 0.000 0.863 730 L CB 0.808 42.848 42.059 -0.032 0.000 1.140 730 L HN 0.234 nan 8.230 nan 0.000 0.463 731 V N 6.360 126.234 119.914 -0.067 0.000 2.293 731 V HA 0.340 4.479 4.120 0.031 0.000 0.275 731 V C 0.332 176.364 176.094 -0.103 0.000 1.021 731 V CA -0.887 61.357 62.300 -0.093 0.000 0.815 731 V CB 0.732 32.482 31.823 -0.121 0.000 1.025 731 V HN 0.722 nan 8.190 nan 0.000 0.448 732 K N 2.368 122.717 120.400 -0.085 0.000 2.219 732 K HA 0.178 4.517 4.320 0.031 0.000 0.258 732 K C 0.613 177.155 176.600 -0.096 0.000 1.008 732 K CA -0.581 55.666 56.287 -0.067 0.000 0.928 732 K CB 0.751 33.224 32.500 -0.044 0.000 0.983 732 K HN 0.470 nan 8.250 nan 0.000 0.484 733 D N 1.730 122.110 120.400 -0.033 0.000 2.133 733 D HA -0.203 4.455 4.640 0.031 0.000 0.195 733 D C 1.322 177.612 176.300 -0.016 0.000 0.997 733 D CA 1.604 55.618 54.000 0.023 0.000 0.840 733 D CB -0.126 40.767 40.800 0.155 0.000 0.947 733 D HN 0.665 nan 8.370 nan 0.000 0.452 734 D N 0.247 120.637 120.400 -0.016 0.000 2.347 734 D HA -0.071 4.588 4.640 0.031 0.000 0.215 734 D C 1.731 178.002 176.300 -0.049 0.000 0.976 734 D CA 0.280 54.269 54.000 -0.019 0.000 0.884 734 D CB 0.006 40.797 40.800 -0.014 0.000 0.915 734 D HN 0.130 nan 8.370 nan 0.000 0.526 735 V N 0.536 120.403 119.914 -0.077 0.000 3.354 735 V HA -0.087 4.052 4.120 0.031 0.000 0.258 735 V C 2.711 178.740 176.094 -0.108 0.000 1.159 735 V CA 0.231 62.480 62.300 -0.084 0.000 1.125 735 V CB 0.496 32.270 31.823 -0.080 0.000 0.774 735 V HN 0.043 nan 8.190 nan 0.000 0.464 736 V N 1.807 121.621 119.914 -0.166 0.000 2.282 736 V HA -0.319 3.819 4.120 0.031 0.000 0.249 736 V C 2.601 178.636 176.094 -0.099 0.000 1.057 736 V CA 2.633 64.816 62.300 -0.195 0.000 1.032 736 V CB -0.655 30.939 31.823 -0.381 0.000 0.645 736 V HN 0.872 nan 8.190 nan 0.000 0.447 737 E N 0.094 120.248 120.200 -0.077 0.000 2.418 737 E HA -0.203 4.166 4.350 0.031 0.000 0.197 737 E C 1.871 178.416 176.600 -0.092 0.000 1.026 737 E CA 0.948 57.304 56.400 -0.073 0.000 0.862 737 E CB -0.180 29.486 29.700 -0.056 0.000 0.799 737 E HN 0.590 nan 8.360 nan 0.000 0.518 738 K N 0.344 120.698 120.400 -0.076 0.000 2.314 738 K HA 0.063 4.402 4.320 0.031 0.000 0.198 738 K C 1.844 178.409 176.600 -0.058 0.000 1.045 738 K CA 0.610 56.855 56.287 -0.070 0.000 0.988 738 K CB 0.718 33.179 32.500 -0.065 0.000 0.783 738 K HN 0.014 nan 8.250 nan 0.000 0.484 739 V N 0.054 119.940 119.914 -0.047 0.000 3.307 739 V HA 0.042 4.180 4.120 0.031 0.000 0.244 739 V C 1.055 177.164 176.094 0.024 0.000 1.196 739 V CA 0.401 62.697 62.300 -0.007 0.000 1.132 739 V CB 0.288 32.107 31.823 -0.006 0.000 0.875 739 V HN 0.276 nan 8.190 nan 0.000 0.468 740 H N -1.397 117.562 119.070 -0.185 0.000 3.348 740 H HA 0.233 4.807 4.556 0.030 0.000 0.199 740 H C -0.775 174.122 175.328 -0.719 0.000 1.596 740 H CA -0.235 55.548 56.048 -0.441 0.000 1.703 740 H CB 0.685 30.232 29.762 -0.359 0.000 1.296 740 H HN 0.255 nan 8.280 nan 0.000 0.970 741 Y N 2.039 121.503 120.300 -1.394 0.000 2.511 741 Y HA 0.134 4.702 4.550 0.030 0.000 0.332 741 Y C -1.908 173.823 175.900 -0.281 0.000 1.177 741 Y CA -1.495 56.081 58.100 -0.874 0.000 1.422 741 Y CB 0.880 38.930 38.460 -0.684 0.000 1.271 741 Y HN 0.289 nan 8.280 nan 0.000 0.550 742 P HA 0.127 nan 4.420 nan 0.000 0.253 742 P C -0.897 176.207 177.300 -0.326 0.000 1.863 742 P CA -0.347 62.222 63.100 -0.886 0.000 1.145 742 P CB -0.201 30.844 31.700 -1.092 0.000 1.666 743 S N -0.351 115.235 115.700 -0.190 0.000 2.576 743 S HA 0.018 4.507 4.470 0.031 0.000 0.272 743 S C 1.420 176.014 174.600 -0.009 0.000 1.352 743 S CA -0.077 58.076 58.200 -0.079 0.000 1.021 743 S CB 0.563 63.734 63.200 -0.049 0.000 0.887 743 S HN -0.016 nan 8.310 nan 0.000 0.542 744 N N 1.153 119.845 118.700 -0.013 0.000 2.043 744 N HA -0.168 4.590 4.740 0.031 0.000 0.193 744 N C 1.691 177.216 175.510 0.025 0.000 1.037 744 N CA 2.126 55.181 53.050 0.008 0.000 0.851 744 N CB -0.503 37.992 38.487 0.013 0.000 1.027 744 N HN 0.797 nan 8.380 nan 0.000 0.422 745 M N -1.170 118.442 119.600 0.019 0.000 2.108 745 M HA -0.179 4.320 4.480 0.031 0.000 0.261 745 M C 1.838 178.151 176.300 0.020 0.000 1.066 745 M CA 1.415 56.726 55.300 0.019 0.000 1.107 745 M CB -0.275 32.325 32.600 0.001 0.000 1.356 745 M HN 0.230 nan 8.290 nan 0.000 0.406 746 F N 1.331 121.223 119.950 -0.097 0.000 2.102 746 F HA -0.245 4.300 4.527 0.030 0.000 0.298 746 F C 2.240 177.957 175.800 -0.138 0.000 1.105 746 F CA 1.753 59.665 58.000 -0.146 0.000 1.239 746 F CB -0.243 38.655 39.000 -0.171 0.000 0.991 746 F HN 0.148 nan 8.300 nan 0.000 0.474 747 E N 0.613 120.875 120.200 0.103 0.000 2.110 747 E HA -0.184 4.184 4.350 0.031 0.000 0.193 747 E C 2.380 178.936 176.600 -0.072 0.000 0.988 747 E CA 1.341 57.763 56.400 0.038 0.000 0.804 747 E CB -0.619 29.119 29.700 0.064 0.000 0.745 747 E HN 0.481 nan 8.360 nan 0.000 0.458 748 L N 0.168 121.352 121.223 -0.065 0.000 2.056 748 L HA -0.143 4.215 4.340 0.031 0.000 0.207 748 L C 2.537 179.326 176.870 -0.136 0.000 1.078 748 L CA 0.643 55.446 54.840 -0.062 0.000 0.749 748 L CB -0.456 41.596 42.059 -0.011 0.000 0.901 748 L HN -0.031 nan 8.230 nan 0.000 0.433 749 V N -0.957 118.810 119.914 -0.244 0.000 2.343 749 V HA -0.266 3.872 4.120 0.031 0.000 0.247 749 V C 2.586 178.378 176.094 -0.503 0.000 1.051 749 V CA 1.969 64.030 62.300 -0.398 0.000 1.036 749 V CB -0.416 31.071 31.823 -0.560 0.000 0.654 749 V HN 0.371 nan 8.190 nan 0.000 0.451 750 S N 0.157 115.524 115.700 -0.555 0.000 2.359 750 S HA -0.229 4.260 4.470 0.031 0.000 0.224 750 S C 1.911 176.448 174.600 -0.106 0.000 1.035 750 S CA 1.955 59.917 58.200 -0.396 0.000 1.018 750 S CB -0.508 62.489 63.200 -0.337 0.000 0.876 750 S HN 0.440 nan 8.310 nan 0.000 0.448 751 L N 2.367 123.541 121.223 -0.082 0.000 2.012 751 L HA -0.142 4.217 4.340 0.031 0.000 0.210 751 L C 2.500 179.386 176.870 0.027 0.000 1.073 751 L CA 2.379 57.212 54.840 -0.012 0.000 0.748 751 L CB -1.149 40.903 42.059 -0.011 0.000 0.891 751 L HN 0.445 nan 8.230 nan 0.000 0.431 752 S N -1.816 113.890 115.700 0.012 0.000 2.382 752 S HA -0.241 4.247 4.470 0.031 0.000 0.228 752 S C 1.850 176.563 174.600 0.188 0.000 1.027 752 S CA 1.074 59.310 58.200 0.061 0.000 0.991 752 S CB -1.167 62.042 63.200 0.016 0.000 0.823 752 S HN 0.564 nan 8.310 nan 0.000 0.469 753 W N 2.450 123.702 121.300 -0.080 0.000 2.353 753 W HA 0.110 4.787 4.660 0.029 0.000 0.319 753 W C 2.969 179.445 176.519 -0.072 0.000 1.207 753 W CA 0.863 58.167 57.345 -0.068 0.000 1.291 753 W CB -1.137 28.274 29.460 -0.081 0.000 1.159 753 W HN 0.333 nan 8.180 nan 0.000 0.478 754 R N 0.538 121.155 120.500 0.194 0.000 2.070 754 R HA -0.123 4.236 4.340 0.031 0.000 0.233 754 R C 2.217 178.566 176.300 0.081 0.000 1.137 754 R CA 1.907 58.074 56.100 0.110 0.000 0.945 754 R CB -1.323 29.037 30.300 0.100 0.000 0.845 754 R HN 0.239 nan 8.270 nan 0.000 0.430 755 L N -0.226 121.046 121.223 0.081 0.000 2.093 755 L HA -0.115 4.243 4.340 0.031 0.000 0.208 755 L C 2.181 179.074 176.870 0.039 0.000 1.085 755 L CA 1.842 56.723 54.840 0.068 0.000 0.755 755 L CB -0.600 41.497 42.059 0.065 0.000 0.904 755 L HN 0.289 nan 8.230 nan 0.000 0.435 756 T N -0.783 113.795 114.554 0.039 0.000 2.821 756 T HA -0.160 4.209 4.350 0.031 0.000 0.267 756 T C 1.806 176.514 174.700 0.013 0.000 1.046 756 T CA 1.291 63.424 62.100 0.055 0.000 1.139 756 T CB -0.312 68.611 68.868 0.091 0.000 0.871 756 T HN 0.341 nan 8.240 nan 0.000 0.454 757 N N 1.429 120.037 118.700 -0.153 0.000 2.120 757 N HA -0.165 4.594 4.740 0.031 0.000 0.188 757 N C 1.241 176.704 175.510 -0.078 0.000 1.024 757 N CA 1.508 54.324 53.050 -0.390 0.000 0.852 757 N CB -0.254 37.914 38.487 -0.532 0.000 1.003 757 N HN 0.218 nan 8.380 nan 0.000 0.424 758 D N -0.104 120.308 120.400 0.020 0.000 2.104 758 D HA -0.141 4.517 4.640 0.031 0.000 0.194 758 D C 2.025 178.434 176.300 0.181 0.000 0.994 758 D CA 2.210 56.269 54.000 0.099 0.000 0.830 758 D CB -0.818 40.021 40.800 0.064 0.000 0.959 758 D HN 0.567 nan 8.370 nan 0.000 0.452 759 T N -1.361 113.275 114.554 0.136 0.000 2.833 759 T HA -0.180 4.189 4.350 0.031 0.000 0.269 759 T C 1.868 176.811 174.700 0.405 0.000 1.054 759 T CA 1.529 63.763 62.100 0.223 0.000 1.135 759 T CB -0.068 68.859 68.868 0.099 0.000 0.869 759 T HN -0.065 nan 8.240 nan 0.000 0.466 760 K N 1.680 122.270 120.400 0.316 0.000 2.228 760 K HA 0.042 4.380 4.320 0.031 0.000 0.202 760 K C 2.038 178.783 176.600 0.240 0.000 1.051 760 K CA 1.442 57.915 56.287 0.309 0.000 0.960 760 K CB -0.159 32.570 32.500 0.383 0.000 0.743 760 K HN 0.626 nan 8.250 nan 0.000 0.458 761 T N -2.849 111.839 114.554 0.224 0.000 3.058 761 T HA 0.048 4.417 4.350 0.031 0.000 0.278 761 T C 1.523 176.296 174.700 0.122 0.000 0.974 761 T CA -0.206 61.983 62.100 0.150 0.000 0.893 761 T CB -0.610 68.343 68.868 0.142 0.000 1.138 761 T HN 0.261 nan 8.240 nan 0.000 0.529 762 Y N 1.886 122.226 120.300 0.066 0.000 2.293 762 Y HA 0.055 4.623 4.550 0.031 0.000 0.291 762 Y C 2.359 178.285 175.900 0.043 0.000 1.137 762 Y CA 0.741 58.867 58.100 0.043 0.000 1.202 762 Y CB -0.467 38.002 38.460 0.016 0.000 0.990 762 Y HN 0.066 nan 8.280 nan 0.000 0.537 763 Q N 1.354 120.677 119.800 -0.795 0.000 2.020 763 Q HA -0.168 4.190 4.340 0.031 0.000 0.202 763 Q C 2.690 178.557 176.000 -0.221 0.000 0.982 763 Q CA 1.677 57.116 55.803 -0.607 0.000 0.838 763 Q CB -0.702 27.740 28.738 -0.494 0.000 0.899 763 Q HN 0.684 nan 8.270 nan 0.000 0.423 764 A N 1.306 124.052 122.820 -0.123 0.000 1.933 764 A HA -0.217 4.122 4.320 0.031 0.000 0.218 764 A C 1.940 179.521 177.584 -0.005 0.000 1.175 764 A CA 1.617 53.630 52.037 -0.040 0.000 0.628 764 A CB -0.430 18.569 19.000 -0.002 0.000 0.814 764 A HN 0.401 nan 8.150 nan 0.000 0.444 765 E N -0.546 119.663 120.200 0.015 0.000 2.106 765 E HA -0.167 4.201 4.350 0.031 0.000 0.192 765 E C 2.066 178.697 176.600 0.051 0.000 0.984 765 E CA 1.206 57.640 56.400 0.058 0.000 0.806 765 E CB -0.111 29.650 29.700 0.102 0.000 0.750 765 E HN 0.619 nan 8.360 nan 0.000 0.458 766 K N 0.644 121.060 120.400 0.027 0.000 2.097 766 K HA -0.109 4.230 4.320 0.031 0.000 0.206 766 K C 1.988 178.599 176.600 0.018 0.000 1.049 766 K CA 1.103 57.408 56.287 0.030 0.000 0.933 766 K CB -0.066 32.444 32.500 0.017 0.000 0.717 766 K HN 0.074 nan 8.250 nan 0.000 0.442 767 A N 0.714 123.534 122.820 -0.001 0.000 2.172 767 A HA -0.062 4.276 4.320 0.031 0.000 0.216 767 A C 1.596 179.191 177.584 0.018 0.000 1.154 767 A CA 0.847 52.886 52.037 0.003 0.000 0.701 767 A CB -0.155 18.838 19.000 -0.011 0.000 0.789 767 A HN 0.246 nan 8.150 nan 0.000 0.465 768 R N -1.735 118.784 120.500 0.030 0.000 2.393 768 R HA 0.243 4.602 4.340 0.031 0.000 0.244 768 R C 1.107 177.437 176.300 0.051 0.000 0.920 768 R CA 0.549 56.674 56.100 0.042 0.000 1.076 768 R CB 0.252 30.583 30.300 0.051 0.000 1.119 768 R HN 0.613 nan 8.270 nan 0.000 0.524 769 G N 0.966 109.795 108.800 0.049 0.000 2.176 769 G HA2 -0.271 3.708 3.960 0.031 0.000 0.232 769 G HA3 -0.271 3.708 3.960 0.031 0.000 0.232 769 G C -0.062 174.882 174.900 0.074 0.000 0.986 769 G CA -0.412 44.721 45.100 0.056 0.000 0.643 769 G HN 0.325 nan 8.290 nan 0.000 0.522 770 Q N 0.201 120.051 119.800 0.084 0.000 2.314 770 Q HA 0.422 4.781 4.340 0.031 0.000 0.257 770 Q C 0.976 177.031 176.000 0.092 0.000 0.975 770 Q CA -0.375 55.495 55.803 0.111 0.000 0.933 770 Q CB 0.929 29.748 28.738 0.135 0.000 1.195 770 Q HN 0.341 nan 8.270 nan 0.000 0.426 771 Q N 0.713 120.563 119.800 0.084 0.000 2.349 771 Q HA 0.139 4.498 4.340 0.031 0.000 0.209 771 Q C 0.233 176.228 176.000 -0.008 0.000 0.920 771 Q CA 0.279 56.105 55.803 0.037 0.000 0.901 771 Q CB 0.295 29.042 28.738 0.015 0.000 1.021 771 Q HN 0.621 nan 8.270 nan 0.000 0.519 772 A N 2.258 125.087 122.820 0.015 0.000 2.404 772 A HA 0.436 4.775 4.320 0.031 0.000 0.273 772 A C 0.199 177.655 177.584 -0.212 0.000 1.144 772 A CA 0.215 52.197 52.037 -0.093 0.000 0.806 772 A CB 0.055 19.107 19.000 0.087 0.000 1.080 772 A HN 0.273 nan 8.150 nan 0.000 0.509 773 S N 0.987 116.361 115.700 -0.543 0.000 2.611 773 S HA 0.605 5.093 4.470 0.031 0.000 0.268 773 S C 0.916 174.881 174.600 -1.059 0.000 1.156 773 S CA -0.099 57.709 58.200 -0.654 0.000 0.817 773 S CB 0.803 63.886 63.200 -0.195 0.000 1.122 773 S HN 1.421 nan 8.310 nan 0.000 0.466 774 G N 0.708 109.050 108.800 -0.763 0.000 2.469 774 G HA2 -0.096 3.882 3.960 0.031 0.000 0.220 774 G HA3 -0.096 3.882 3.960 0.031 0.000 0.220 774 G C 0.995 175.818 174.900 -0.128 0.000 1.136 774 G CA 1.347 46.260 45.100 -0.312 0.000 0.759 774 G HN 0.612 nan 8.290 nan 0.000 0.562 775 I N 1.832 122.215 120.570 -0.313 0.000 2.142 775 I HA -0.056 4.132 4.170 0.031 0.000 0.240 775 I C 3.197 179.192 176.117 -0.203 0.000 1.078 775 I CA 1.404 62.497 61.300 -0.345 0.000 1.343 775 I CB -0.670 36.866 38.000 -0.774 0.000 1.046 775 I HN 0.200 nan 8.210 nan 0.000 0.405 776 A N -0.600 122.086 122.820 -0.223 0.000 1.930 776 A HA -0.199 4.140 4.320 0.031 0.000 0.217 776 A C 2.413 179.895 177.584 -0.169 0.000 1.175 776 A CA 1.879 53.820 52.037 -0.160 0.000 0.627 776 A CB -1.327 17.585 19.000 -0.146 0.000 0.815 776 A HN 0.566 nan 8.150 nan 0.000 0.443 777 C N -2.469 116.703 119.300 -0.213 0.000 2.457 777 C HA -0.018 4.461 4.460 0.031 0.000 0.278 777 C C 2.462 177.445 174.990 -0.013 0.000 1.309 777 C CA 0.831 59.763 59.018 -0.145 0.000 1.735 777 C CB -1.585 26.034 27.740 -0.202 0.000 1.992 777 C HN 0.724 nan 8.230 nan 0.000 0.493 778 Y N 1.474 121.722 120.300 -0.087 0.000 2.181 778 Y HA -0.188 4.380 4.550 0.031 0.000 0.288 778 Y C 2.459 178.206 175.900 -0.255 0.000 1.146 778 Y CA 1.705 59.624 58.100 -0.301 0.000 1.164 778 Y CB -0.433 37.694 38.460 -0.555 0.000 0.982 778 Y HN 0.229 nan 8.280 nan 0.000 0.515 779 M N 0.049 119.581 119.600 -0.114 0.000 2.117 779 M HA -0.236 4.263 4.480 0.031 0.000 0.262 779 M C 2.345 178.522 176.300 -0.205 0.000 1.065 779 M CA 2.002 57.209 55.300 -0.155 0.000 1.114 779 M CB -0.334 32.222 32.600 -0.074 0.000 1.361 779 M HN 0.144 nan 8.290 nan 0.000 0.408 780 K N 0.380 120.671 120.400 -0.182 0.000 2.097 780 K HA -0.194 4.144 4.320 0.031 0.000 0.206 780 K C 1.161 177.643 176.600 -0.197 0.000 1.049 780 K CA 1.621 57.803 56.287 -0.174 0.000 0.933 780 K CB 0.024 32.418 32.500 -0.176 0.000 0.717 780 K HN 0.212 nan 8.250 nan 0.000 0.442 781 D N 0.446 120.696 120.400 -0.250 0.000 2.269 781 D HA -0.059 4.600 4.640 0.031 0.000 0.208 781 D C 0.058 176.158 176.300 -0.332 0.000 0.963 781 D CA 0.841 54.680 54.000 -0.268 0.000 0.864 781 D CB 0.095 40.717 40.800 -0.297 0.000 0.936 781 D HN 0.184 nan 8.370 nan 0.000 0.505 782 N N 1.025 119.473 118.700 -0.419 0.000 2.791 782 N HA 0.187 4.945 4.740 0.031 0.000 0.265 782 N C -2.743 172.613 175.510 -0.257 0.000 1.580 782 N CA -0.977 51.825 53.050 -0.413 0.000 0.809 782 N CB 1.890 39.940 38.487 -0.728 0.000 1.178 782 N HN -0.043 nan 8.380 nan 0.000 0.499 783 P HA 0.067 nan 4.420 nan 0.000 0.261 783 P C 1.068 178.310 177.300 -0.098 0.000 1.183 783 P CA 0.978 64.007 63.100 -0.120 0.000 0.761 783 P CB 0.578 32.221 31.700 -0.095 0.000 0.785 784 G N 2.128 110.883 108.800 -0.075 0.000 2.284 784 G HA2 -0.142 3.837 3.960 0.031 0.000 0.216 784 G HA3 -0.142 3.837 3.960 0.031 0.000 0.216 784 G C 0.352 175.226 174.900 -0.043 0.000 1.009 784 G CA -0.072 44.996 45.100 -0.053 0.000 0.625 784 G HN 0.831 nan 8.290 nan 0.000 0.501 785 A N 1.531 124.316 122.820 -0.059 0.000 2.450 785 A HA 0.664 5.002 4.320 0.031 0.000 0.255 785 A C 0.997 178.578 177.584 -0.005 0.000 1.096 785 A CA 1.266 53.294 52.037 -0.016 0.000 0.778 785 A CB 0.086 19.093 19.000 0.011 0.000 1.031 785 A HN 1.692 nan 8.150 nan 0.000 0.494 786 T N 0.271 114.830 114.554 0.008 0.000 2.770 786 T HA 0.299 4.667 4.350 0.031 0.000 0.281 786 T C 0.845 175.551 174.700 0.009 0.000 0.981 786 T CA 0.076 62.181 62.100 0.009 0.000 0.955 786 T CB 0.571 69.447 68.868 0.014 0.000 1.060 786 T HN 0.655 nan 8.240 nan 0.000 0.531 787 E N -0.020 120.190 120.200 0.018 0.000 2.077 787 E HA -0.180 4.188 4.350 0.031 0.000 0.193 787 E C 2.087 178.679 176.600 -0.012 0.000 0.989 787 E CA 1.249 57.654 56.400 0.008 0.000 0.800 787 E CB -0.072 29.684 29.700 0.094 0.000 0.746 787 E HN 0.862 nan 8.360 nan 0.000 0.452 788 E N 0.929 121.141 120.200 0.019 0.000 2.077 788 E HA -0.237 4.131 4.350 0.031 0.000 0.193 788 E C 1.437 178.013 176.600 -0.041 0.000 0.989 788 E CA 1.373 57.779 56.400 0.011 0.000 0.800 788 E CB 0.112 29.835 29.700 0.039 0.000 0.746 788 E HN 0.145 nan 8.360 nan 0.000 0.452 789 D N 0.265 120.647 120.400 -0.029 0.000 2.104 789 D HA -0.160 4.499 4.640 0.031 0.000 0.194 789 D C 1.827 178.048 176.300 -0.132 0.000 0.994 789 D CA 1.473 55.449 54.000 -0.041 0.000 0.830 789 D CB -0.371 40.438 40.800 0.015 0.000 0.959 789 D HN 0.315 nan 8.370 nan 0.000 0.452 790 A N 0.637 123.369 122.820 -0.146 0.000 1.898 790 A HA -0.116 4.223 4.320 0.031 0.000 0.216 790 A C 2.401 179.765 177.584 -0.366 0.000 1.181 790 A CA 0.823 52.651 52.037 -0.348 0.000 0.620 790 A CB -0.681 18.222 19.000 -0.161 0.000 0.819 790 A HN 0.189 nan 8.150 nan 0.000 0.442 791 I N -0.749 119.653 120.570 -0.281 0.000 2.226 791 I HA -0.267 3.922 4.170 0.031 0.000 0.245 791 I C 2.555 178.459 176.117 -0.354 0.000 1.100 791 I CA 1.805 62.901 61.300 -0.340 0.000 1.374 791 I CB -0.241 37.558 38.000 -0.335 0.000 1.057 791 I HN 0.335 nan 8.210 nan 0.000 0.413 792 K N 0.181 120.425 120.400 -0.259 0.000 2.026 792 K HA -0.287 4.052 4.320 0.031 0.000 0.208 792 K C 2.270 178.746 176.600 -0.207 0.000 1.048 792 K CA 1.833 57.999 56.287 -0.203 0.000 0.929 792 K CB -0.194 32.239 32.500 -0.112 0.000 0.713 792 K HN 0.324 nan 8.250 nan 0.000 0.439 793 H N 0.328 119.186 119.070 -0.354 0.000 2.353 793 H HA -0.063 4.512 4.556 0.031 0.000 0.300 793 H C 1.785 176.902 175.328 -0.350 0.000 1.090 793 H CA 2.149 57.950 56.048 -0.412 0.000 1.327 793 H CB -0.073 29.218 29.762 -0.786 0.000 1.383 793 H HN 0.176 nan 8.280 nan 0.000 0.508 794 I N -0.511 119.827 120.570 -0.386 0.000 2.226 794 I HA -0.330 3.858 4.170 0.031 0.000 0.245 794 I C 2.345 178.320 176.117 -0.236 0.000 1.100 794 I CA 0.993 62.131 61.300 -0.270 0.000 1.374 794 I CB -0.320 37.580 38.000 -0.166 0.000 1.057 794 I HN 0.449 nan 8.210 nan 0.000 0.413 795 C N 0.395 119.542 119.300 -0.255 0.000 2.425 795 C HA -0.115 4.363 4.460 0.031 0.000 0.277 795 C C 2.878 177.773 174.990 -0.158 0.000 1.280 795 C CA 0.674 59.575 59.018 -0.195 0.000 1.744 795 C CB -1.228 26.377 27.740 -0.224 0.000 1.989 795 C HN 0.413 nan 8.230 nan 0.000 0.491 796 R N 0.256 120.635 120.500 -0.202 0.000 2.081 796 R HA -0.099 4.259 4.340 0.031 0.000 0.235 796 R C 2.113 178.309 176.300 -0.174 0.000 1.131 796 R CA 1.283 57.281 56.100 -0.169 0.000 0.960 796 R CB -0.504 29.688 30.300 -0.181 0.000 0.856 796 R HN 0.413 nan 8.270 nan 0.000 0.436 797 V N 0.560 120.314 119.914 -0.265 0.000 2.295 797 V HA -0.225 3.914 4.120 0.031 0.000 0.246 797 V C 2.356 178.399 176.094 -0.085 0.000 1.049 797 V CA 1.643 63.837 62.300 -0.178 0.000 1.024 797 V CB -0.314 31.403 31.823 -0.177 0.000 0.648 797 V HN 0.125 nan 8.190 nan 0.000 0.447 798 V N 0.062 119.926 119.914 -0.083 0.000 2.295 798 V HA -0.244 3.894 4.120 0.031 0.000 0.246 798 V C 2.304 178.362 176.094 -0.061 0.000 1.049 798 V CA 2.143 64.412 62.300 -0.053 0.000 1.024 798 V CB -0.733 31.066 31.823 -0.040 0.000 0.648 798 V HN 0.540 nan 8.190 nan 0.000 0.447 799 D N -0.101 120.264 120.400 -0.057 0.000 2.104 799 D HA -0.210 4.449 4.640 0.031 0.000 0.194 799 D C 2.288 178.576 176.300 -0.020 0.000 0.994 799 D CA 1.649 55.627 54.000 -0.036 0.000 0.830 799 D CB -0.316 40.475 40.800 -0.015 0.000 0.959 799 D HN 0.368 nan 8.370 nan 0.000 0.452 800 R N 0.608 121.097 120.500 -0.017 0.000 2.096 800 R HA -0.064 4.294 4.340 0.031 0.000 0.235 800 R C 2.042 178.354 176.300 0.019 0.000 1.127 800 R CA 1.414 57.520 56.100 0.010 0.000 0.968 800 R CB -0.108 30.191 30.300 -0.002 0.000 0.861 800 R HN 0.106 nan 8.270 nan 0.000 0.440 801 A N 0.956 123.771 122.820 -0.008 0.000 1.930 801 A HA -0.064 4.275 4.320 0.031 0.000 0.217 801 A C 2.146 179.724 177.584 -0.010 0.000 1.175 801 A CA 0.941 52.976 52.037 -0.003 0.000 0.627 801 A CB -0.363 18.626 19.000 -0.017 0.000 0.815 801 A HN 0.339 nan 8.150 nan 0.000 0.443 802 L N -0.747 120.424 121.223 -0.086 0.000 2.056 802 L HA -0.175 4.184 4.340 0.031 0.000 0.207 802 L C 2.543 179.420 176.870 0.012 0.000 1.078 802 L CA 1.566 56.267 54.840 -0.233 0.000 0.749 802 L CB -0.398 41.258 42.059 -0.671 0.000 0.901 802 L HN 0.335 nan 8.230 nan 0.000 0.433 803 K N -0.106 120.371 120.400 0.128 0.000 2.057 803 K HA -0.216 4.123 4.320 0.031 0.000 0.206 803 K C 2.045 178.852 176.600 0.345 0.000 1.050 803 K CA 1.347 57.842 56.287 0.346 0.000 0.935 803 K CB -0.096 32.567 32.500 0.271 0.000 0.715 803 K HN 0.271 nan 8.250 nan 0.000 0.439 804 E N 0.695 121.015 120.200 0.201 0.000 2.106 804 E HA -0.166 4.202 4.350 0.031 0.000 0.192 804 E C 1.936 178.649 176.600 0.187 0.000 0.984 804 E CA 0.885 57.391 56.400 0.175 0.000 0.806 804 E CB 0.007 29.767 29.700 0.099 0.000 0.750 804 E HN 0.322 nan 8.360 nan 0.000 0.458 805 A N 0.394 123.319 122.820 0.175 0.000 1.933 805 A HA -0.169 4.170 4.320 0.031 0.000 0.218 805 A C 2.322 179.979 177.584 0.121 0.000 1.175 805 A CA 1.759 53.897 52.037 0.169 0.000 0.628 805 A CB -0.463 18.683 19.000 0.242 0.000 0.814 805 A HN 0.248 nan 8.150 nan 0.000 0.444 806 S N -0.872 115.045 115.700 0.362 0.000 2.356 806 S HA -0.144 4.345 4.470 0.031 0.000 0.223 806 S C 1.672 176.354 174.600 0.136 0.000 1.032 806 S CA 1.445 59.894 58.200 0.415 0.000 1.005 806 S CB -0.577 63.247 63.200 1.041 0.000 0.867 806 S HN 0.677 nan 8.310 nan 0.000 0.449 807 F N 2.946 122.730 119.950 -0.278 0.000 2.069 807 F HA -0.164 4.382 4.527 0.032 0.000 0.298 807 F C 2.299 177.834 175.800 -0.442 0.000 1.113 807 F CA 1.631 59.071 58.000 -0.933 0.000 1.214 807 F CB -0.385 38.144 39.000 -0.785 0.000 0.978 807 F HN 0.063 nan 8.300 nan 0.000 0.474 808 E N -0.518 119.415 120.200 -0.446 0.000 2.110 808 E HA -0.279 4.089 4.350 0.031 0.000 0.193 808 E C 2.104 178.422 176.600 -0.470 0.000 0.988 808 E CA 1.612 57.729 56.400 -0.471 0.000 0.804 808 E CB -1.039 28.560 29.700 -0.168 0.000 0.745 808 E HN 0.699 nan 8.360 nan 0.000 0.458 809 Y N 0.055 119.963 120.300 -0.654 0.000 2.145 809 Y HA -0.232 4.335 4.550 0.029 0.000 0.286 809 Y C 1.876 177.377 175.900 -0.665 0.000 1.145 809 Y CA 1.495 59.091 58.100 -0.839 0.000 1.148 809 Y CB -0.192 37.275 38.460 -1.655 0.000 0.981 809 Y HN -0.103 nan 8.280 nan 0.000 0.507 810 F N 0.885 120.544 119.950 -0.484 0.000 2.710 810 F HA 0.099 4.644 4.527 0.029 0.000 0.298 810 F C 1.153 176.690 175.800 -0.438 0.000 1.137 810 F CA 0.413 58.162 58.000 -0.418 0.000 1.444 810 F CB -0.526 38.441 39.000 -0.055 0.000 1.111 810 F HN -0.182 nan 8.300 nan 0.000 0.580 811 K N 2.950 123.086 120.400 -0.439 0.000 2.453 811 K HA 0.049 4.387 4.320 0.031 0.000 0.280 811 K C -2.407 174.006 176.600 -0.312 0.000 1.045 811 K CA -1.517 54.489 56.287 -0.467 0.000 1.059 811 K CB 0.247 32.323 32.500 -0.706 0.000 0.901 811 K HN -0.083 nan 8.250 nan 0.000 0.475 812 P HA -0.000 nan 4.420 nan 0.000 0.268 812 P C -1.128 176.075 177.300 -0.160 0.000 1.205 812 P CA -0.184 62.811 63.100 -0.176 0.000 0.771 812 P CB 1.224 32.846 31.700 -0.131 0.000 0.858 813 S N 1.286 116.899 115.700 -0.145 0.000 2.546 813 S HA 0.318 4.806 4.470 0.031 0.000 0.274 813 S C 0.462 175.005 174.600 -0.095 0.000 1.121 813 S CA -0.615 57.514 58.200 -0.118 0.000 0.887 813 S CB 0.879 64.002 63.200 -0.128 0.000 1.094 813 S HN 0.328 nan 8.310 nan 0.000 0.474 814 N N 1.670 120.325 118.700 -0.075 0.000 2.398 814 N HA 0.076 4.835 4.740 0.031 0.000 0.188 814 N C 0.394 175.869 175.510 -0.058 0.000 1.122 814 N CA 1.152 54.165 53.050 -0.062 0.000 0.866 814 N CB 0.216 38.673 38.487 -0.050 0.000 0.970 814 N HN 0.738 nan 8.380 nan 0.000 0.462 815 D N -1.768 118.594 120.400 -0.064 0.000 2.453 815 D HA 0.087 4.746 4.640 0.031 0.000 0.256 815 D C 0.011 176.273 176.300 -0.064 0.000 1.152 815 D CA -0.123 53.842 54.000 -0.058 0.000 0.818 815 D CB -0.135 40.634 40.800 -0.052 0.000 1.259 815 D HN 0.137 nan 8.370 nan 0.000 0.531 816 I N 2.138 122.662 120.570 -0.076 0.000 2.325 816 I HA 0.309 4.498 4.170 0.031 0.000 0.291 816 I C -2.285 173.786 176.117 -0.076 0.000 1.019 816 I CA -1.962 59.291 61.300 -0.077 0.000 1.302 816 I CB 1.174 39.121 38.000 -0.089 0.000 1.401 816 I HN -0.332 nan 8.210 nan 0.000 0.485 817 P HA 0.150 nan 4.420 nan 0.000 0.271 817 P C 0.564 177.836 177.300 -0.046 0.000 1.233 817 P CA -0.286 62.785 63.100 -0.050 0.000 0.764 817 P CB 0.628 32.303 31.700 -0.041 0.000 0.825 818 M N 2.140 121.709 119.600 -0.052 0.000 2.254 818 M HA -0.035 4.463 4.480 0.031 0.000 0.265 818 M C 2.075 178.389 176.300 0.024 0.000 1.066 818 M CA 1.489 56.757 55.300 -0.054 0.000 1.123 818 M CB -1.587 30.956 32.600 -0.096 0.000 1.388 818 M HN 0.508 nan 8.290 nan 0.000 0.425 819 G N -0.305 108.508 108.800 0.023 0.000 2.421 819 G HA2 -0.203 3.775 3.960 0.031 0.000 0.216 819 G HA3 -0.203 3.775 3.960 0.031 0.000 0.216 819 G C 1.686 176.562 174.900 -0.040 0.000 1.171 819 G CA 1.079 46.187 45.100 0.013 0.000 0.775 819 G HN 0.478 nan 8.290 nan 0.000 0.543 820 C N 0.293 119.575 119.300 -0.030 0.000 2.429 820 C HA 0.044 4.522 4.460 0.031 0.000 0.277 820 C C 2.837 177.875 174.990 0.079 0.000 1.262 820 C CA 0.991 60.004 59.018 -0.008 0.000 1.733 820 C CB -0.698 27.031 27.740 -0.018 0.000 2.010 820 C HN 0.456 nan 8.230 nan 0.000 0.483 821 K N 0.935 121.383 120.400 0.081 0.000 2.063 821 K HA -0.143 4.196 4.320 0.031 0.000 0.208 821 K C 2.229 178.964 176.600 0.224 0.000 1.048 821 K CA 1.724 58.096 56.287 0.142 0.000 0.928 821 K CB -0.249 32.309 32.500 0.097 0.000 0.713 821 K HN 0.398 nan 8.250 nan 0.000 0.442 822 S N 0.669 116.517 115.700 0.247 0.000 2.368 822 S HA -0.138 4.351 4.470 0.031 0.000 0.225 822 S C 1.593 176.204 174.600 0.018 0.000 1.030 822 S CA 1.057 59.358 58.200 0.168 0.000 0.999 822 S CB -0.304 63.001 63.200 0.174 0.000 0.844 822 S HN 0.292 nan 8.310 nan 0.000 0.459 823 F N 2.047 121.921 119.950 -0.127 0.000 2.102 823 F HA -0.096 4.448 4.527 0.029 0.000 0.298 823 F C 1.907 177.620 175.800 -0.146 0.000 1.105 823 F CA 1.348 59.233 58.000 -0.191 0.000 1.239 823 F CB -0.222 38.642 39.000 -0.226 0.000 0.991 823 F HN 0.112 nan 8.300 nan 0.000 0.474 824 I N -0.780 119.809 120.570 0.033 0.000 2.179 824 I HA -0.303 3.886 4.170 0.031 0.000 0.242 824 I C 2.354 178.363 176.117 -0.180 0.000 1.088 824 I CA 1.571 62.835 61.300 -0.061 0.000 1.357 824 I CB -0.659 37.407 38.000 0.109 0.000 1.051 824 I HN 0.197 nan 8.210 nan 0.000 0.409 825 F N 1.996 121.775 119.950 -0.285 0.000 2.095 825 F HA -0.268 4.277 4.527 0.029 0.000 0.298 825 F C 2.051 177.588 175.800 -0.438 0.000 1.104 825 F CA 1.931 59.694 58.000 -0.394 0.000 1.232 825 F CB -0.288 38.358 39.000 -0.590 0.000 0.987 825 F HN 0.079 nan 8.300 nan 0.000 0.475 826 N N 0.353 118.735 118.700 -0.531 0.000 2.521 826 N HA -0.026 4.732 4.740 0.031 0.000 0.188 826 N C 1.510 176.715 175.510 -0.508 0.000 1.146 826 N CA 0.100 52.790 53.050 -0.600 0.000 0.893 826 N CB -0.023 38.197 38.487 -0.444 0.000 0.975 826 N HN 0.348 nan 8.380 nan 0.000 0.451 827 L N 1.027 121.966 121.223 -0.474 0.000 2.465 827 L HA -0.040 4.318 4.340 0.031 0.000 0.224 827 L C 2.465 179.358 176.870 0.037 0.000 1.145 827 L CA 0.410 55.100 54.840 -0.250 0.000 0.834 827 L CB -0.220 41.681 42.059 -0.263 0.000 0.944 827 L HN 0.313 nan 8.230 nan 0.000 0.451 828 R N 0.627 121.010 120.500 -0.196 0.000 2.148 828 R HA -0.138 4.220 4.340 0.031 0.000 0.227 828 R C 1.897 178.185 176.300 -0.020 0.000 1.103 828 R CA 1.100 57.164 56.100 -0.060 0.000 0.983 828 R CB -0.538 29.568 30.300 -0.323 0.000 0.874 828 R HN 0.333 nan 8.270 nan 0.000 0.451 829 L N 1.575 122.689 121.223 -0.183 0.000 2.056 829 L HA -0.184 4.174 4.340 0.031 0.000 0.207 829 L C 3.184 179.975 176.870 -0.132 0.000 1.078 829 L CA 1.451 56.169 54.840 -0.204 0.000 0.749 829 L CB -0.927 40.947 42.059 -0.309 0.000 0.901 829 L HN 0.462 nan 8.230 nan 0.000 0.433 830 C N -1.823 117.435 119.300 -0.070 0.000 2.413 830 C HA -0.084 4.394 4.460 0.031 0.000 0.276 830 C C 2.605 177.600 174.990 0.008 0.000 1.248 830 C CA 0.094 59.085 59.018 -0.044 0.000 1.742 830 C CB -1.208 26.639 27.740 0.179 0.000 2.017 830 C HN 0.322 nan 8.230 nan 0.000 0.481 831 V N 1.192 121.140 119.914 0.056 0.000 2.358 831 V HA -0.192 3.947 4.120 0.031 0.000 0.246 831 V C 3.066 179.270 176.094 0.183 0.000 1.047 831 V CA 2.156 64.557 62.300 0.168 0.000 1.035 831 V CB -0.761 31.015 31.823 -0.078 0.000 0.658 831 V HN 0.531 nan 8.190 nan 0.000 0.452 832 Q N -0.721 119.123 119.800 0.073 0.000 2.124 832 Q HA -0.132 4.227 4.340 0.031 0.000 0.202 832 Q C 2.164 178.165 176.000 0.002 0.000 0.977 832 Q CA 1.787 57.619 55.803 0.048 0.000 0.850 832 Q CB -0.341 28.403 28.738 0.010 0.000 0.901 832 Q HN 0.648 nan 8.270 nan 0.000 0.429 833 I N -0.801 119.701 120.570 -0.112 0.000 2.480 833 I HA -0.157 4.031 4.170 0.031 0.000 0.251 833 I C 1.090 177.107 176.117 -0.168 0.000 1.124 833 I CA 0.600 61.790 61.300 -0.184 0.000 1.444 833 I CB 0.158 37.967 38.000 -0.318 0.000 1.098 833 I HN -0.021 nan 8.210 nan 0.000 0.428 834 F N -0.474 119.481 119.950 0.009 0.000 2.473 834 F HA 0.035 4.579 4.527 0.030 0.000 0.294 834 F C 1.127 176.722 175.800 -0.341 0.000 1.103 834 F CA 0.599 58.477 58.000 -0.203 0.000 1.442 834 F CB -0.451 38.307 39.000 -0.403 0.000 1.097 834 F HN 0.014 nan 8.300 nan 0.000 0.547 835 Y N 0.786 121.202 120.300 0.194 0.000 2.681 835 Y HA 0.195 4.763 4.550 0.031 0.000 0.267 835 Y C 0.493 176.469 175.900 0.126 0.000 1.166 835 Y CA -1.221 56.964 58.100 0.141 0.000 1.209 835 Y CB -0.442 38.083 38.460 0.108 0.000 1.161 835 Y HN -0.130 nan 8.280 nan 0.000 0.534 836 K N 0.192 120.707 120.400 0.193 0.000 2.484 836 K HA -0.008 4.331 4.320 0.031 0.000 0.280 836 K C -0.223 176.488 176.600 0.184 0.000 1.013 836 K CA -0.181 56.199 56.287 0.155 0.000 1.029 836 K CB 0.585 33.121 32.500 0.061 0.000 0.902 836 K HN 0.147 nan 8.250 nan 0.000 0.481 846 E N -0.305 119.965 120.200 0.117 0.000 2.299 846 E HA 0.399 4.767 4.350 0.031 0.000 0.265 846 E C -1.006 175.484 176.600 -0.184 0.000 0.911 846 E CA -0.806 55.594 56.400 0.000 0.000 0.789 846 E CB 2.003 31.752 29.700 0.082 0.000 1.246 846 E HN 0.383 nan 8.360 nan 0.000 0.427 847 E N 0.791 120.755 120.200 -0.393 0.000 2.370 847 E HA 0.161 4.529 4.350 0.031 0.000 0.259 847 E C 0.745 176.847 176.600 -0.831 0.000 0.947 847 E CA -0.741 55.376 56.400 -0.471 0.000 0.809 847 E CB 1.307 30.860 29.700 -0.245 0.000 1.300 847 E HN 0.419 nan 8.360 nan 0.000 0.419 848 I N 1.659 121.918 120.570 -0.519 0.000 2.248 848 I HA -0.325 3.864 4.170 0.031 0.000 0.248 848 I C 2.108 178.021 176.117 -0.340 0.000 1.107 848 I CA 1.942 63.014 61.300 -0.380 0.000 1.373 848 I CB -0.253 37.612 38.000 -0.226 0.000 1.055 848 I HN 0.443 nan 8.210 nan 0.000 0.418 849 K N 0.206 120.440 120.400 -0.278 0.000 2.097 849 K HA -0.186 4.153 4.320 0.031 0.000 0.206 849 K C 1.505 178.015 176.600 -0.150 0.000 1.049 849 K CA 1.948 58.126 56.287 -0.182 0.000 0.933 849 K CB -1.199 31.204 32.500 -0.161 0.000 0.717 849 K HN 0.389 nan 8.250 nan 0.000 0.442 850 D N 0.559 120.829 120.400 -0.216 0.000 2.117 850 D HA -0.128 4.530 4.640 0.031 0.000 0.198 850 D C 2.065 178.351 176.300 -0.023 0.000 0.982 850 D CA 1.073 54.998 54.000 -0.125 0.000 0.828 850 D CB -0.342 40.372 40.800 -0.143 0.000 0.967 850 D HN 0.199 nan 8.370 nan 0.000 0.464 851 Y N 1.275 121.496 120.300 -0.131 0.000 2.145 851 Y HA -0.076 4.493 4.550 0.031 0.000 0.286 851 Y C 2.571 178.361 175.900 -0.184 0.000 1.145 851 Y CA -0.066 57.912 58.100 -0.203 0.000 1.148 851 Y CB -1.017 37.146 38.460 -0.494 0.000 0.981 851 Y HN -0.022 nan 8.280 nan 0.000 0.507 852 I N -0.265 120.282 120.570 -0.037 0.000 2.286 852 I HA -0.292 3.897 4.170 0.031 0.000 0.248 852 I C 2.740 178.939 176.117 0.136 0.000 1.115 852 I CA 1.304 62.663 61.300 0.098 0.000 1.392 852 I CB -0.359 37.731 38.000 0.151 0.000 1.065 852 I HN 0.109 nan 8.210 nan 0.000 0.418 853 R N 1.644 122.192 120.500 0.081 0.000 2.080 853 R HA -0.207 4.152 4.340 0.031 0.000 0.236 853 R C 2.237 178.601 176.300 0.107 0.000 1.137 853 R CA 1.709 57.863 56.100 0.090 0.000 0.943 853 R CB -0.099 30.229 30.300 0.047 0.000 0.846 853 R HN 0.263 nan 8.270 nan 0.000 0.431 854 K N -0.352 120.102 120.400 0.089 0.000 2.097 854 K HA -0.077 4.261 4.320 0.031 0.000 0.206 854 K C 1.956 178.645 176.600 0.149 0.000 1.049 854 K CA 1.472 57.811 56.287 0.087 0.000 0.933 854 K CB 0.140 32.681 32.500 0.068 0.000 0.717 854 K HN 0.101 nan 8.250 nan 0.000 0.442 855 V N -0.444 119.529 119.914 0.099 0.000 2.685 855 V HA -0.097 4.042 4.120 0.031 0.000 0.244 855 V C 1.094 177.174 176.094 -0.022 0.000 1.054 855 V CA 1.224 63.538 62.300 0.023 0.000 1.076 855 V CB -0.137 31.517 31.823 -0.282 0.000 0.725 855 V HN 0.196 nan 8.190 nan 0.000 0.467 856 Y N -1.913 118.572 120.300 0.308 0.000 2.467 856 Y HA 0.409 4.974 4.550 0.026 0.000 0.259 856 Y C 1.722 177.739 175.900 0.194 0.000 1.084 856 Y CA -0.435 57.822 58.100 0.262 0.000 1.275 856 Y CB 0.157 38.778 38.460 0.269 0.000 1.208 856 Y HN 0.103 nan 8.280 nan 0.000 0.511 857 I N -0.843 119.902 120.570 0.292 0.000 2.900 857 I HA 0.029 4.218 4.170 0.031 0.000 0.251 857 I C -0.205 176.014 176.117 0.170 0.000 1.102 857 I CA 0.337 61.758 61.300 0.202 0.000 1.457 857 I CB 0.021 38.111 38.000 0.150 0.000 1.285 857 I HN -0.173 nan 8.210 nan 0.000 0.459 858 D N 3.077 123.570 120.400 0.155 0.000 2.317 858 D HA 0.222 4.881 4.640 0.031 0.000 0.252 858 D C -2.215 174.183 176.300 0.164 0.000 1.174 858 D CA -1.280 52.797 54.000 0.128 0.000 0.866 858 D CB 0.865 41.718 40.800 0.088 0.000 1.127 858 D HN 0.017 nan 8.370 nan 0.000 0.467 859 P HA 0.280 nan 4.420 nan 0.000 0.277 859 P C -0.119 177.256 177.300 0.125 0.000 1.271 859 P CA -0.515 62.697 63.100 0.187 0.000 0.795 859 P CB 0.884 32.694 31.700 0.183 0.000 1.101 860 I N 0.590 121.228 120.570 0.113 0.000 2.353 860 I HA 0.170 4.358 4.170 0.031 0.000 0.293 860 I C 0.770 176.906 176.117 0.032 0.000 0.992 860 I CA -0.663 60.650 61.300 0.022 0.000 1.268 860 I CB 0.516 38.486 38.000 -0.050 0.000 1.387 860 I HN 0.201 nan 8.210 nan 0.000 0.478 861 Q N 4.687 124.499 119.800 0.019 0.000 2.274 861 Q HA 0.217 4.576 4.340 0.031 0.000 0.280 861 Q C -0.473 175.530 176.000 0.005 0.000 1.047 861 Q CA -0.020 55.801 55.803 0.029 0.000 0.907 861 Q CB 1.067 29.817 28.738 0.020 0.000 1.171 861 Q HN 0.449 nan 8.270 nan 0.000 0.381 862 V N 0.000 119.925 119.914 0.018 0.000 2.409 862 V HA 0.000 4.139 4.120 0.031 0.000 0.244 862 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 862 V CB 0.000 31.756 31.823 -0.112 0.000 1.184 862 V HN 0.000 nan 8.190 nan 0.000 0.556