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 2i3z_1_A DATA FIRST_RESID 38 DATA SEQUENCE RRTYTLADYL KNTFRVKSYS LRWVSDSEYL YKQENNILLF NAEHGNSSIF DATA SEQUENCE LENSTFEIFG DSISDYSVSP DRLFVLLEYN YVKQWRHSYT ASYSIYDLNK DATA SEQUENCE RQLITEEKIP NNTQWITWSQ EGHKLAYVWK NDIYVKIEPH LPSHRITSTG DATA SEQUENCE KENVIFNGIN DWVYEEEIFG AYSALWWSPN GTFLAYAQFN DTGVPLIEYS DATA SEQUENCE FYSDESLQYP KTVWIPYPKA GAVNPTVKFF IVNTDSLSST TTTIPMQITA DATA SEQUENCE PASVTTGDHY LCDVAWVSED RISLQWLRRI QNYSVMAIcD YDKTTLVWNc DATA SEQUENCE PTTQEHIETS ATGWCGRFRP AEPHFTSDGS SFYKIVSDKD GYKHIcQFQK DATA SEQUENCE DRKPEQVcTF ITKGAWEVIS IEALTSDYLY YISNEYKEMP GGRNLYKIQL DATA SEQUENCE TDHTNKKCLS CDLNPERcQY YSVSLSKEAK YYQLGcRGPG LPLYTLHRST DATA SEQUENCE DQKELRVLED NSALDKMLQD VQMPSKKLDF IVLNETRFWY QMILPPHFDK DATA SEQUENCE SKKYPLLIDV YAGPCSQKAD AAFRLNWATY LASTENIIVA SFDGRGSGYQ DATA SEQUENCE GDKIMHAINK RLGTLEVEDQ IEAARQFLKM GFVDSKRVAI WGWSYGGYVT DATA SEQUENCE SMVLGSGSGV FKcGIAVAPV SRWEYYDSVY TERYMGLPTP EDNLDHYRNS DATA SEQUENCE TVMSRAENFK QVEYLLIHGT ADDNVHFQQS AQISKALVDA GVDFQAMWYT DATA SEQUENCE DEDHGIASST AHQHIYSHMS HFLQQcFSLR 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 38 R HA 0.000 nan 4.340 nan 0.000 0.208 38 R C 0.000 176.357 176.300 0.095 0.000 0.893 38 R CA 0.000 56.154 56.100 0.090 0.000 0.921 38 R CB 0.000 30.343 30.300 0.072 0.000 0.687 39 R N 0.292 120.853 120.500 0.101 0.000 2.500 39 R HA 0.912 5.252 4.340 -0.000 0.000 0.277 39 R C 0.748 177.127 176.300 0.132 0.000 1.026 39 R CA 0.538 56.710 56.100 0.119 0.000 1.058 39 R CB 0.141 30.525 30.300 0.140 0.000 1.078 39 R HN 1.283 nan 8.270 nan 0.000 0.509 40 T N -0.700 113.941 114.554 0.145 0.000 2.910 40 T HA 0.528 4.878 4.350 -0.000 0.000 0.279 40 T C -0.472 174.384 174.700 0.261 0.000 0.989 40 T CA -0.449 61.748 62.100 0.161 0.000 0.968 40 T CB 0.557 69.499 68.868 0.125 0.000 1.135 40 T HN 0.705 nan 8.240 nan 0.000 0.562 41 Y N 1.973 122.361 120.300 0.147 0.000 2.535 41 Y HA 0.505 5.055 4.550 -0.000 0.000 0.349 41 Y C 1.001 177.090 175.900 0.316 0.000 0.992 41 Y CA -0.702 57.544 58.100 0.242 0.000 1.248 41 Y CB -0.438 38.139 38.460 0.195 0.000 1.124 41 Y HN 0.929 nan 8.280 nan 0.000 0.520 42 T N 3.500 118.092 114.554 0.064 0.000 2.900 42 T HA 0.364 4.714 4.350 -0.000 0.000 0.307 42 T C 1.598 176.261 174.700 -0.062 0.000 1.065 42 T CA 0.106 62.268 62.100 0.103 0.000 1.105 42 T CB 0.321 69.202 68.868 0.022 0.000 0.979 42 T HN 0.959 nan 8.240 nan 0.000 0.544 43 L N 1.261 122.320 121.223 -0.273 0.000 2.131 43 L HA 0.300 4.639 4.340 -0.000 0.000 0.210 43 L C 3.170 179.881 176.870 -0.266 0.000 1.092 43 L CA 2.799 57.200 54.840 -0.732 0.000 0.759 43 L CB -2.001 39.421 42.059 -1.061 0.000 0.903 43 L HN 1.132 nan 8.230 nan 0.000 0.435 44 A N -0.858 121.843 122.820 -0.198 0.000 1.933 44 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 44 A C 2.160 179.632 177.584 -0.185 0.000 1.175 44 A CA 1.403 53.350 52.037 -0.151 0.000 0.628 44 A CB -0.708 18.230 19.000 -0.104 0.000 0.814 44 A HN 0.660 nan 8.150 nan 0.000 0.444 45 D N -1.411 118.832 120.400 -0.263 0.000 2.104 45 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 45 D C 1.687 177.844 176.300 -0.238 0.000 0.994 45 D CA 1.778 55.562 54.000 -0.359 0.000 0.830 45 D CB -0.440 39.984 40.800 -0.626 0.000 0.959 45 D HN 0.581 nan 8.370 nan 0.000 0.452 46 Y N 1.800 121.876 120.300 -0.373 0.000 2.036 46 Y HA -0.185 4.364 4.550 -0.000 0.000 0.273 46 Y C 2.392 178.244 175.900 -0.079 0.000 1.135 46 Y CA 1.412 59.453 58.100 -0.100 0.000 1.106 46 Y CB -0.809 37.615 38.460 -0.059 0.000 0.976 46 Y HN -0.120 nan 8.280 nan 0.000 0.483 47 L N 0.200 121.236 121.223 -0.311 0.000 2.081 47 L HA -0.263 4.076 4.340 -0.000 0.000 0.212 47 L C 1.991 178.718 176.870 -0.238 0.000 1.080 47 L CA 1.653 56.268 54.840 -0.375 0.000 0.754 47 L CB -0.565 41.362 42.059 -0.219 0.000 0.893 47 L HN 0.215 nan 8.230 nan 0.000 0.433 48 K N -0.066 120.225 120.400 -0.181 0.000 2.404 48 K HA 0.031 4.351 4.320 -0.000 0.000 0.194 48 K C 0.234 176.758 176.600 -0.127 0.000 1.023 48 K CA -0.110 56.096 56.287 -0.135 0.000 1.094 48 K CB -0.422 32.004 32.500 -0.124 0.000 0.841 48 K HN 0.193 nan 8.250 nan 0.000 0.523 49 N N 1.416 120.037 118.700 -0.132 0.000 2.688 49 N HA -0.176 4.564 4.740 -0.000 0.000 0.258 49 N C 0.148 175.611 175.510 -0.077 0.000 1.016 49 N CA 0.904 53.917 53.050 -0.062 0.000 0.747 49 N CB -1.164 37.294 38.487 -0.050 0.000 0.895 49 N HN 0.094 nan 8.380 nan 0.000 0.543 50 T N -0.212 114.234 114.554 -0.180 0.000 2.777 50 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 50 T C 0.537 175.009 174.700 -0.380 0.000 1.040 50 T CA 1.199 63.064 62.100 -0.391 0.000 1.141 50 T CB -0.153 68.273 68.868 -0.736 0.000 0.868 50 T HN 0.405 nan 8.240 nan 0.000 0.444 51 F N 2.589 122.644 119.950 0.174 0.000 2.309 51 F HA 0.375 4.902 4.527 -0.000 0.000 0.366 51 F C 0.643 176.546 175.800 0.173 0.000 1.104 51 F CA -1.258 56.856 58.000 0.190 0.000 1.179 51 F CB 0.409 39.569 39.000 0.268 0.000 1.437 51 F HN -0.122 nan 8.300 nan 0.000 0.528 52 R N 2.764 123.418 120.500 0.257 0.000 2.389 52 R HA 0.434 4.774 4.340 -0.000 0.000 0.295 52 R C -1.276 175.150 176.300 0.210 0.000 1.075 52 R CA -0.274 55.939 56.100 0.189 0.000 1.005 52 R CB 0.975 31.346 30.300 0.119 0.000 0.987 52 R HN 0.406 nan 8.270 nan 0.000 0.452 53 V N 5.896 125.934 119.914 0.207 0.000 2.350 53 V HA 0.223 4.343 4.120 -0.000 0.000 0.276 53 V C 0.206 176.412 176.094 0.186 0.000 1.028 53 V CA -0.564 61.872 62.300 0.226 0.000 0.860 53 V CB 1.191 33.187 31.823 0.289 0.000 0.990 53 V HN 0.806 nan 8.190 nan 0.000 0.453 54 K N 2.799 123.305 120.400 0.177 0.000 2.102 54 K HA 0.702 5.021 4.320 -0.000 0.000 0.244 54 K C 0.271 176.972 176.600 0.168 0.000 1.021 54 K CA -0.286 56.090 56.287 0.149 0.000 0.913 54 K CB 1.318 33.900 32.500 0.138 0.000 1.062 54 K HN 0.860 nan 8.250 nan 0.000 0.485 55 S N -0.489 115.212 115.700 0.002 0.000 2.790 55 S HA 0.374 4.843 4.470 -0.000 0.000 0.292 55 S C -1.724 172.608 174.600 -0.447 0.000 1.197 55 S CA -0.846 57.084 58.200 -0.450 0.000 0.851 55 S CB 0.759 63.759 63.200 -0.334 0.000 1.217 55 S HN 0.613 nan 8.310 nan 0.000 0.526 56 Y N 1.123 120.832 120.300 -0.986 0.000 2.563 56 Y HA 0.532 5.082 4.550 -0.001 0.000 0.351 56 Y C -0.773 174.938 175.900 -0.315 0.000 1.087 56 Y CA -0.403 57.418 58.100 -0.464 0.000 1.272 56 Y CB 1.249 39.416 38.460 -0.489 0.000 1.095 56 Y HN 0.728 nan 8.280 nan 0.000 0.620 57 S N 6.073 121.632 115.700 -0.234 0.000 2.409 57 S HA 0.439 4.909 4.470 -0.000 0.000 0.308 57 S C -0.424 174.060 174.600 -0.192 0.000 1.080 57 S CA -0.567 57.534 58.200 -0.166 0.000 1.081 57 S CB -0.446 62.694 63.200 -0.101 0.000 1.009 57 S HN 0.546 nan 8.310 nan 0.000 0.502 58 L N 1.689 122.748 121.223 -0.274 0.000 2.376 58 L HA 0.764 5.104 4.340 -0.000 0.000 0.267 58 L C 0.032 176.757 176.870 -0.240 0.000 1.035 58 L CA -0.841 53.790 54.840 -0.349 0.000 0.800 58 L CB 0.471 42.005 42.059 -0.876 0.000 1.290 58 L HN 0.299 nan 8.230 nan 0.000 0.462 59 R N -0.058 120.338 120.500 -0.173 0.000 2.507 59 R HA 0.292 4.631 4.340 -0.000 0.000 0.298 59 R C -1.821 174.494 176.300 0.024 0.000 1.087 59 R CA -0.263 55.814 56.100 -0.039 0.000 0.917 59 R CB 1.007 31.337 30.300 0.050 0.000 1.173 59 R HN 0.658 nan 8.270 nan 0.000 0.472 60 W N 3.005 124.382 121.300 0.128 0.000 2.489 60 W HA 0.026 4.685 4.660 -0.001 0.000 0.327 60 W C 1.132 177.716 176.519 0.108 0.000 1.436 60 W CA -0.386 57.048 57.345 0.148 0.000 1.315 60 W CB 0.637 30.175 29.460 0.130 0.000 1.373 60 W HN 0.383 nan 8.180 nan 0.000 0.557 61 V N 2.744 122.868 119.914 0.350 0.000 3.354 61 V HA -0.009 4.111 4.120 -0.000 0.000 0.258 61 V C 0.915 177.120 176.094 0.185 0.000 1.159 61 V CA 1.175 63.585 62.300 0.183 0.000 1.125 61 V CB -0.592 31.260 31.823 0.050 0.000 0.774 61 V HN 0.596 nan 8.190 nan 0.000 0.464 62 S N -1.342 114.514 115.700 0.261 0.000 2.873 62 S HA 0.282 4.752 4.470 -0.000 0.000 0.303 62 S C -0.001 174.690 174.600 0.151 0.000 1.222 62 S CA 0.078 58.383 58.200 0.175 0.000 0.923 62 S CB 1.394 64.676 63.200 0.136 0.000 1.286 62 S HN 0.036 nan 8.310 nan 0.000 0.571 63 D N 0.318 120.771 120.400 0.088 0.000 2.340 63 D HA 0.257 4.897 4.640 -0.000 0.000 0.220 63 D C 1.149 177.510 176.300 0.103 0.000 1.039 63 D CA 1.027 55.039 54.000 0.020 0.000 0.866 63 D CB 0.075 40.895 40.800 0.033 0.000 0.913 63 D HN 0.543 nan 8.370 nan 0.000 0.523 64 S N -2.414 113.388 115.700 0.169 0.000 2.648 64 S HA 0.236 4.706 4.470 -0.000 0.000 0.270 64 S C 0.317 175.028 174.600 0.186 0.000 1.034 64 S CA -0.669 57.627 58.200 0.160 0.000 1.376 64 S CB 0.613 63.913 63.200 0.166 0.000 1.227 64 S HN 0.040 nan 8.310 nan 0.000 0.676 65 E N 0.640 121.022 120.200 0.304 0.000 2.312 65 E HA 0.655 5.005 4.350 -0.000 0.000 0.267 65 E C -1.657 175.155 176.600 0.353 0.000 0.894 65 E CA -1.056 55.468 56.400 0.207 0.000 0.773 65 E CB 2.133 31.880 29.700 0.080 0.000 1.241 65 E HN 0.473 nan 8.360 nan 0.000 0.432 66 Y N -0.579 119.774 120.300 0.088 0.000 2.588 66 Y HA 0.626 5.175 4.550 -0.000 0.000 0.343 66 Y C -1.726 174.149 175.900 -0.041 0.000 1.065 66 Y CA -1.304 56.738 58.100 -0.096 0.000 1.038 66 Y CB 0.767 38.832 38.460 -0.658 0.000 1.297 66 Y HN 0.348 nan 8.280 nan 0.000 0.467 67 L N 2.875 124.218 121.223 0.200 0.000 2.344 67 L HA 0.550 4.889 4.340 -0.000 0.000 0.272 67 L C -1.332 175.715 176.870 0.296 0.000 1.035 67 L CA -1.044 53.897 54.840 0.168 0.000 0.807 67 L CB 1.707 43.800 42.059 0.057 0.000 1.237 67 L HN 0.810 nan 8.230 nan 0.000 0.442 68 Y N 2.008 122.371 120.300 0.104 0.000 2.442 68 Y HA 0.270 4.820 4.550 -0.001 0.000 0.330 68 Y C -0.787 175.113 175.900 -0.001 0.000 1.100 68 Y CA -1.203 56.855 58.100 -0.070 0.000 1.034 68 Y CB 1.534 39.791 38.460 -0.339 0.000 1.285 68 Y HN 0.428 nan 8.280 nan 0.000 0.440 69 K N 5.201 125.136 120.400 -0.775 0.000 2.276 69 K HA 0.277 4.597 4.320 -0.000 0.000 0.285 69 K C -1.052 175.116 176.600 -0.719 0.000 1.062 69 K CA -0.308 55.635 56.287 -0.572 0.000 0.918 69 K CB 0.667 32.932 32.500 -0.391 0.000 1.055 69 K HN 0.844 nan 8.250 nan 0.000 0.477 70 Q N 4.260 123.878 119.800 -0.303 0.000 2.290 70 Q HA 0.096 4.436 4.340 -0.000 0.000 0.269 70 Q C -1.190 174.749 176.000 -0.102 0.000 1.016 70 Q CA -0.287 55.452 55.803 -0.106 0.000 0.754 70 Q CB 1.084 29.919 28.738 0.162 0.000 1.247 70 Q HN 0.742 nan 8.270 nan 0.000 0.451 71 E N 3.346 123.488 120.200 -0.098 0.000 2.228 71 E HA -0.363 3.987 4.350 -0.000 0.000 0.213 71 E C -0.665 175.834 176.600 -0.169 0.000 1.282 71 E CA 0.509 56.851 56.400 -0.098 0.000 0.707 71 E CB -1.270 28.398 29.700 -0.053 0.000 1.150 71 E HN 0.862 nan 8.360 nan 0.000 0.362 72 N N 0.229 118.782 118.700 -0.245 0.000 2.735 72 N HA -0.176 4.563 4.740 -0.000 0.000 0.248 72 N C -1.062 174.156 175.510 -0.488 0.000 1.083 72 N CA 1.044 53.854 53.050 -0.400 0.000 0.703 72 N CB -0.754 37.528 38.487 -0.341 0.000 1.005 72 N HN 0.469 nan 8.380 nan 0.000 0.550 73 N N 0.727 119.209 118.700 -0.364 0.000 2.352 73 N HA 0.278 5.017 4.740 -0.000 0.000 0.291 73 N C -0.370 175.007 175.510 -0.221 0.000 1.040 73 N CA -0.553 52.327 53.050 -0.282 0.000 0.864 73 N CB 1.345 39.742 38.487 -0.149 0.000 1.440 73 N HN -0.033 nan 8.380 nan 0.000 0.483 74 I N 3.604 124.058 120.570 -0.193 0.000 2.322 74 I HA 0.277 4.446 4.170 -0.000 0.000 0.292 74 I C 0.338 176.519 176.117 0.107 0.000 1.060 74 I CA -0.131 61.128 61.300 -0.068 0.000 1.309 74 I CB -0.162 37.809 38.000 -0.048 0.000 1.415 74 I HN 0.279 nan 8.210 nan 0.000 0.492 75 L N 6.555 127.882 121.223 0.173 0.000 2.317 75 L HA 0.464 4.803 4.340 -0.000 0.000 0.281 75 L C -0.313 176.723 176.870 0.276 0.000 1.024 75 L CA -0.954 54.017 54.840 0.218 0.000 0.810 75 L CB 2.041 44.282 42.059 0.303 0.000 1.240 75 L HN 0.344 nan 8.230 nan 0.000 0.427 76 L N 3.101 124.378 121.223 0.090 0.000 2.264 76 L HA 0.539 4.879 4.340 -0.000 0.000 0.289 76 L C -1.042 175.761 176.870 -0.111 0.000 1.044 76 L CA 0.366 55.217 54.840 0.018 0.000 0.807 76 L CB 0.514 42.568 42.059 -0.008 0.000 1.192 76 L HN 0.185 nan 8.230 nan 0.000 0.425 77 F N 3.505 123.170 119.950 -0.475 0.000 2.492 77 F HA 0.436 4.963 4.527 -0.000 0.000 0.327 77 F C 0.471 175.955 175.800 -0.528 0.000 1.079 77 F CA -0.764 56.879 58.000 -0.594 0.000 0.967 77 F CB 1.301 39.661 39.000 -1.067 0.000 1.169 77 F HN 0.515 nan 8.300 nan 0.000 0.472 78 N N 1.894 120.515 118.700 -0.132 0.000 2.426 78 N HA 0.431 5.171 4.740 -0.000 0.000 0.257 78 N C -0.976 174.474 175.510 -0.099 0.000 1.002 78 N CA -0.187 52.811 53.050 -0.086 0.000 0.942 78 N CB 1.404 39.880 38.487 -0.019 0.000 1.112 78 N HN 0.742 nan 8.380 nan 0.000 0.499 79 A N 3.081 125.811 122.820 -0.150 0.000 2.454 79 A HA 0.359 4.679 4.320 -0.000 0.000 0.260 79 A C 0.762 178.049 177.584 -0.494 0.000 1.106 79 A CA 0.137 52.011 52.037 -0.273 0.000 0.780 79 A CB 0.214 18.947 19.000 -0.445 0.000 1.044 79 A HN 0.966 nan 8.150 nan 0.000 0.498 80 E N 0.437 120.483 120.200 -0.256 0.000 3.394 80 E HA -0.125 4.224 4.350 -0.000 0.000 0.141 80 E C -0.610 175.787 176.600 -0.338 0.000 0.773 80 E CA 0.886 57.127 56.400 -0.264 0.000 2.938 80 E CB -0.898 28.567 29.700 -0.391 0.000 1.309 80 E HN 0.814 nan 8.360 nan 0.000 0.714 81 H N 0.291 119.373 119.070 0.021 0.000 2.459 81 H HA 0.536 5.092 4.556 -0.000 0.000 0.332 81 H C 1.187 176.520 175.328 0.009 0.000 1.094 81 H CA 0.139 56.196 56.048 0.015 0.000 1.224 81 H CB 1.411 31.177 29.762 0.007 0.000 1.449 81 H HN 0.511 nan 8.280 nan 0.000 0.484 82 G N 2.741 111.614 108.800 0.121 0.000 2.659 82 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.219 82 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.219 82 G C 0.810 175.731 174.900 0.034 0.000 1.105 82 G CA 0.453 45.614 45.100 0.101 0.000 0.727 82 G HN 0.763 nan 8.290 nan 0.000 0.583 83 N N 0.308 119.025 118.700 0.027 0.000 1.801 83 N HA -0.021 4.719 4.740 -0.000 0.000 0.315 83 N C 0.483 175.884 175.510 -0.181 0.000 1.326 83 N CA 0.690 53.713 53.050 -0.045 0.000 0.840 83 N CB 0.152 38.650 38.487 0.019 0.000 1.126 83 N HN 0.309 nan 8.380 nan 0.000 0.499 84 S N 2.423 117.942 115.700 -0.302 0.000 2.739 84 S HA 0.784 5.254 4.470 -0.000 0.000 0.306 84 S C -0.603 173.780 174.600 -0.362 0.000 1.115 84 S CA -0.398 57.444 58.200 -0.597 0.000 0.985 84 S CB 1.863 64.510 63.200 -0.922 0.000 1.133 84 S HN 0.626 nan 8.310 nan 0.000 0.541 85 S N 0.526 116.010 115.700 -0.360 0.000 2.579 85 S HA 0.329 4.798 4.470 -0.000 0.000 0.290 85 S C -1.288 173.265 174.600 -0.077 0.000 1.123 85 S CA -0.808 57.295 58.200 -0.161 0.000 0.894 85 S CB 0.260 63.408 63.200 -0.087 0.000 1.095 85 S HN 0.769 nan 8.310 nan 0.000 0.450 86 I N 5.326 125.871 120.570 -0.041 0.000 2.587 86 I HA 0.131 4.301 4.170 -0.000 0.000 0.284 86 I C 0.710 176.877 176.117 0.083 0.000 1.134 86 I CA 0.180 61.483 61.300 0.006 0.000 1.410 86 I CB 0.427 38.409 38.000 -0.030 0.000 1.392 86 I HN 0.775 nan 8.210 nan 0.000 0.545 87 F N 7.508 127.435 119.950 -0.040 0.000 2.315 87 F HA 0.352 4.878 4.527 -0.001 0.000 0.284 87 F C 0.453 176.246 175.800 -0.011 0.000 1.049 87 F CA 0.567 58.560 58.000 -0.012 0.000 1.323 87 F CB 0.459 39.468 39.000 0.014 0.000 1.113 87 F HN 0.144 nan 8.300 nan 0.000 0.544 88 L N 1.053 122.295 121.223 0.033 0.000 2.408 88 L HA 0.332 4.672 4.340 -0.000 0.000 0.268 88 L C -0.556 176.258 176.870 -0.094 0.000 0.986 88 L CA -0.819 53.977 54.840 -0.072 0.000 0.820 88 L CB 2.228 44.312 42.059 0.042 0.000 1.303 88 L HN -0.054 nan 8.230 nan 0.000 0.411 89 E N 1.366 121.496 120.200 -0.117 0.000 2.349 89 E HA 0.076 4.425 4.350 -0.000 0.000 0.262 89 E C 0.192 176.686 176.600 -0.177 0.000 1.088 89 E CA -0.494 55.829 56.400 -0.128 0.000 0.899 89 E CB 0.993 30.632 29.700 -0.101 0.000 1.044 89 E HN 0.477 nan 8.360 nan 0.000 0.420 90 N N 0.917 119.512 118.700 -0.176 0.000 2.133 90 N HA -0.163 4.576 4.740 -0.000 0.000 0.193 90 N C 1.134 176.558 175.510 -0.143 0.000 1.012 90 N CA 0.925 53.858 53.050 -0.197 0.000 0.871 90 N CB -0.098 38.313 38.487 -0.127 0.000 1.011 90 N HN 0.309 nan 8.380 nan 0.000 0.435 91 S N -1.331 114.312 115.700 -0.095 0.000 2.534 91 S HA 0.006 4.476 4.470 -0.000 0.000 0.241 91 S C 1.130 175.722 174.600 -0.014 0.000 1.334 91 S CA 1.699 59.865 58.200 -0.057 0.000 0.978 91 S CB -0.141 63.020 63.200 -0.066 0.000 0.925 91 S HN 0.555 nan 8.310 nan 0.000 0.522 92 T N 0.460 114.976 114.554 -0.063 0.000 12.818 92 T HA -0.307 4.042 4.350 -0.000 0.000 0.419 92 T C 1.087 175.784 174.700 -0.004 0.000 1.441 92 T CA 2.274 64.305 62.100 -0.116 0.000 2.373 92 T CB -2.019 66.725 68.868 -0.208 0.000 2.831 92 T HN 0.523 nan 8.240 nan 0.000 0.727 93 F N 3.034 122.876 119.950 -0.181 0.000 2.147 93 F HA -0.132 4.395 4.527 -0.001 0.000 0.301 93 F C 2.614 178.344 175.800 -0.118 0.000 1.084 93 F CA 1.850 59.771 58.000 -0.132 0.000 1.268 93 F CB -0.528 38.405 39.000 -0.111 0.000 1.009 93 F HN 0.586 nan 8.300 nan 0.000 0.486 94 E N 0.972 121.222 120.200 0.083 0.000 2.418 94 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 94 E C 2.041 178.618 176.600 -0.039 0.000 1.026 94 E CA 0.936 57.343 56.400 0.011 0.000 0.862 94 E CB -0.913 28.784 29.700 -0.005 0.000 0.799 94 E HN 0.469 nan 8.360 nan 0.000 0.518 95 I N 1.000 121.533 120.570 -0.063 0.000 2.163 95 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 95 I C 2.521 178.553 176.117 -0.143 0.000 1.085 95 I CA 2.098 63.342 61.300 -0.092 0.000 1.347 95 I CB -0.619 37.321 38.000 -0.101 0.000 1.044 95 I HN 0.153 nan 8.210 nan 0.000 0.408 96 F N 1.955 121.779 119.950 -0.209 0.000 2.757 96 F HA 0.582 5.109 4.527 -0.000 0.000 0.292 96 F C 1.570 177.266 175.800 -0.173 0.000 1.204 96 F CA -0.052 57.751 58.000 -0.329 0.000 1.417 96 F CB -1.528 37.111 39.000 -0.601 0.000 1.001 96 F HN 0.297 nan 8.300 nan 0.000 0.508 97 G N 1.134 109.875 108.800 -0.098 0.000 2.629 97 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.313 97 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.313 97 G C 0.743 175.635 174.900 -0.013 0.000 1.217 97 G CA 0.791 45.865 45.100 -0.045 0.000 0.994 97 G HN 1.067 nan 8.290 nan 0.000 0.549 98 D N 0.005 120.405 120.400 -0.000 0.000 2.469 98 D HA 0.180 4.819 4.640 -0.000 0.000 0.215 98 D C 1.759 178.077 176.300 0.030 0.000 1.154 98 D CA 1.146 55.157 54.000 0.018 0.000 0.832 98 D CB -0.025 40.781 40.800 0.010 0.000 1.008 98 D HN 0.858 nan 8.370 nan 0.000 0.506 99 S N 0.144 115.863 115.700 0.033 0.000 2.605 99 S HA 0.134 4.604 4.470 -0.000 0.000 0.217 99 S C 0.908 175.566 174.600 0.097 0.000 0.958 99 S CA -0.539 57.701 58.200 0.068 0.000 0.919 99 S CB -0.379 62.884 63.200 0.105 0.000 0.780 99 S HN 0.088 nan 8.310 nan 0.000 0.507 100 I N 3.670 124.280 120.570 0.068 0.000 2.593 100 I HA 0.058 4.228 4.170 -0.000 0.000 0.304 100 I C 1.719 177.893 176.117 0.095 0.000 1.176 100 I CA 0.160 61.499 61.300 0.066 0.000 1.533 100 I CB -0.588 37.429 38.000 0.029 0.000 1.492 100 I HN 0.415 nan 8.210 nan 0.000 0.704 101 S N 4.016 119.763 115.700 0.078 0.000 2.368 101 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 101 S C 0.742 175.385 174.600 0.073 0.000 1.030 101 S CA 1.424 59.646 58.200 0.037 0.000 0.999 101 S CB 0.226 63.451 63.200 0.043 0.000 0.844 101 S HN 0.795 nan 8.310 nan 0.000 0.459 102 D N -2.330 118.141 120.400 0.118 0.000 2.792 102 D HA 0.375 5.015 4.640 -0.000 0.000 0.335 102 D C -1.775 174.664 176.300 0.233 0.000 1.353 102 D CA -0.492 53.618 54.000 0.184 0.000 0.839 102 D CB 1.014 41.888 40.800 0.124 0.000 1.396 102 D HN 0.279 nan 8.370 nan 0.000 0.479 103 Y N -1.339 119.041 120.300 0.135 0.000 2.544 103 Y HA 0.717 5.267 4.550 -0.000 0.000 0.342 103 Y C -1.511 174.519 175.900 0.217 0.000 1.062 103 Y CA -0.855 57.325 58.100 0.135 0.000 1.023 103 Y CB 1.780 40.317 38.460 0.128 0.000 1.308 103 Y HN 0.161 nan 8.280 nan 0.000 0.457 104 S N 2.701 118.559 115.700 0.264 0.000 2.733 104 S HA 0.642 5.112 4.470 -0.000 0.000 0.294 104 S C -1.620 173.291 174.600 0.519 0.000 1.149 104 S CA -0.578 57.781 58.200 0.264 0.000 1.034 104 S CB 0.866 64.239 63.200 0.288 0.000 1.015 104 S HN 0.696 nan 8.310 nan 0.000 0.486 105 V N 5.077 125.217 119.914 0.376 0.000 2.498 105 V HA 0.421 4.541 4.120 -0.000 0.000 0.279 105 V C 0.783 176.804 176.094 -0.122 0.000 1.048 105 V CA -0.638 61.828 62.300 0.276 0.000 0.967 105 V CB 1.369 33.373 31.823 0.303 0.000 0.988 105 V HN 0.998 nan 8.190 nan 0.000 0.473 106 S N 6.547 121.875 115.700 -0.621 0.000 2.568 106 S HA 0.171 4.641 4.470 -0.000 0.000 0.282 106 S C -1.175 173.149 174.600 -0.460 0.000 1.338 106 S CA -0.713 56.693 58.200 -1.323 0.000 1.045 106 S CB 0.755 62.978 63.200 -1.628 0.000 0.873 106 S HN 0.656 nan 8.310 nan 0.000 0.516 107 P HA -0.167 nan 4.420 nan 0.000 0.216 107 P C 0.731 177.994 177.300 -0.061 0.000 1.150 107 P CA 1.526 64.564 63.100 -0.103 0.000 0.843 107 P CB -0.277 31.394 31.700 -0.048 0.000 0.787 108 D N -0.437 119.923 120.400 -0.067 0.000 2.338 108 D HA -0.094 4.546 4.640 -0.000 0.000 0.239 108 D C 0.447 176.754 176.300 0.011 0.000 1.095 108 D CA -0.153 53.850 54.000 0.005 0.000 0.888 108 D CB -0.831 40.013 40.800 0.074 0.000 0.899 108 D HN 0.135 nan 8.370 nan 0.000 0.525 109 R N -0.496 120.003 120.500 -0.002 0.000 3.741 109 R HA -0.189 4.151 4.340 -0.000 0.000 0.292 109 R C 0.759 177.097 176.300 0.063 0.000 1.176 109 R CA 0.578 56.745 56.100 0.111 0.000 0.794 109 R CB -2.286 28.125 30.300 0.185 0.000 1.213 109 R HN 0.349 nan 8.270 nan 0.000 0.494 110 L N -1.142 120.032 121.223 -0.083 0.000 2.408 110 L HA 0.238 4.578 4.340 -0.000 0.000 0.215 110 L C 0.489 176.928 176.870 -0.719 0.000 1.081 110 L CA 0.719 55.336 54.840 -0.373 0.000 0.840 110 L CB 0.177 41.995 42.059 -0.403 0.000 1.002 110 L HN -0.006 nan 8.230 nan 0.000 0.468 111 F N -1.654 118.210 119.950 -0.144 0.000 2.640 111 F HA 0.581 5.108 4.527 -0.000 0.000 0.324 111 F C -0.383 175.488 175.800 0.118 0.000 1.077 111 F CA -1.104 56.880 58.000 -0.027 0.000 0.965 111 F CB 1.685 40.707 39.000 0.036 0.000 1.351 111 F HN -0.564 nan 8.300 nan 0.000 0.487 112 V N 2.507 122.732 119.914 0.518 0.000 2.569 112 V HA 0.350 4.470 4.120 -0.000 0.000 0.301 112 V C -0.576 175.837 176.094 0.532 0.000 1.044 112 V CA -0.757 61.857 62.300 0.523 0.000 0.874 112 V CB 1.938 34.017 31.823 0.426 0.000 1.002 112 V HN 0.561 nan 8.190 nan 0.000 0.424 113 L N 5.482 127.052 121.223 0.578 0.000 2.319 113 L HA 0.470 4.810 4.340 -0.000 0.000 0.280 113 L C -0.686 176.368 176.870 0.307 0.000 1.099 113 L CA -0.166 54.906 54.840 0.387 0.000 0.828 113 L CB 0.901 43.119 42.059 0.266 0.000 1.150 113 L HN 0.490 nan 8.230 nan 0.000 0.442 114 L N 4.702 126.066 121.223 0.235 0.000 2.316 114 L HA 0.407 4.747 4.340 -0.000 0.000 0.280 114 L C -0.081 176.869 176.870 0.134 0.000 1.006 114 L CA -0.376 54.521 54.840 0.094 0.000 0.836 114 L CB 1.688 43.719 42.059 -0.045 0.000 1.221 114 L HN 0.572 nan 8.230 nan 0.000 0.418 115 E N 4.259 124.486 120.200 0.046 0.000 2.249 115 E HA 0.483 4.833 4.350 -0.000 0.000 0.280 115 E C -1.590 175.006 176.600 -0.008 0.000 1.016 115 E CA -0.410 55.869 56.400 -0.202 0.000 0.830 115 E CB 1.070 30.727 29.700 -0.072 0.000 1.081 115 E HN 0.455 nan 8.360 nan 0.000 0.395 116 Y N 1.246 121.366 120.300 -0.299 0.000 2.656 116 Y HA 0.386 4.935 4.550 -0.000 0.000 0.334 116 Y C -0.573 175.257 175.900 -0.117 0.000 1.179 116 Y CA -1.406 56.606 58.100 -0.147 0.000 1.050 116 Y CB 0.740 39.126 38.460 -0.124 0.000 1.308 116 Y HN 0.563 nan 8.280 nan 0.000 0.456 117 N N -0.171 118.538 118.700 0.015 0.000 2.780 117 N HA -0.285 4.455 4.740 -0.000 0.000 0.248 117 N C -1.155 174.350 175.510 -0.007 0.000 1.102 117 N CA 0.885 53.915 53.050 -0.034 0.000 0.697 117 N CB -1.772 36.610 38.487 -0.176 0.000 1.028 117 N HN 0.901 nan 8.380 nan 0.000 0.554 118 Y N 0.191 120.437 120.300 -0.089 0.000 2.569 118 Y HA 0.292 4.842 4.550 -0.001 0.000 0.332 118 Y C 0.027 175.907 175.900 -0.033 0.000 1.120 118 Y CA -0.171 57.888 58.100 -0.069 0.000 1.416 118 Y CB 0.585 38.943 38.460 -0.170 0.000 1.210 118 Y HN -0.019 nan 8.280 nan 0.000 0.528 119 V N 8.282 128.144 119.914 -0.086 0.000 2.409 119 V HA 0.185 4.305 4.120 -0.000 0.000 0.290 119 V C -0.087 175.903 176.094 -0.174 0.000 1.017 119 V CA -1.248 61.039 62.300 -0.023 0.000 0.841 119 V CB 1.195 32.987 31.823 -0.051 0.000 1.003 119 V HN 0.782 nan 8.190 nan 0.000 0.426 120 K N 4.079 124.493 120.400 0.023 0.000 2.234 120 K HA 0.328 4.647 4.320 -0.000 0.000 0.251 120 K C -0.296 176.228 176.600 -0.127 0.000 1.011 120 K CA -0.100 56.204 56.287 0.028 0.000 0.889 120 K CB 0.617 33.270 32.500 0.255 0.000 1.011 120 K HN 0.741 nan 8.250 nan 0.000 0.505 121 Q N 2.900 122.579 119.800 -0.203 0.000 2.676 121 Q HA 0.081 4.421 4.340 -0.000 0.000 0.223 121 Q C -1.851 173.888 176.000 -0.435 0.000 0.807 121 Q CA -0.366 55.087 55.803 -0.583 0.000 1.097 121 Q CB 0.283 28.489 28.738 -0.887 0.000 1.602 121 Q HN 0.880 nan 8.270 nan 0.000 0.514 122 W N 1.427 122.771 121.300 0.073 0.000 3.078 122 W HA -0.327 4.333 4.660 -0.000 0.000 0.320 122 W C 1.111 177.590 176.519 -0.067 0.000 0.133 122 W CA -0.216 57.160 57.345 0.052 0.000 0.459 122 W CB -0.690 28.748 29.460 -0.037 0.000 2.859 122 W HN 0.720 nan 8.180 nan 0.000 0.416 123 R N -0.380 120.162 120.500 0.070 0.000 2.096 123 R HA -0.196 4.144 4.340 -0.000 0.000 0.240 123 R C 1.620 177.632 176.300 -0.479 0.000 1.139 123 R CA 2.547 58.460 56.100 -0.312 0.000 0.952 123 R CB -0.332 29.588 30.300 -0.634 0.000 0.854 123 R HN 0.529 nan 8.270 nan 0.000 0.436 124 H N -2.357 116.784 119.070 0.119 0.000 3.205 124 H HA 0.285 4.841 4.556 -0.000 0.000 0.252 124 H C 0.200 175.615 175.328 0.146 0.000 1.015 124 H CA -0.194 55.952 56.048 0.162 0.000 1.192 124 H CB 0.651 30.490 29.762 0.128 0.000 1.474 124 H HN -0.030 nan 8.280 nan 0.000 0.484 125 S N 1.463 117.111 115.700 -0.086 0.000 2.579 125 S HA 0.302 4.772 4.470 -0.000 0.000 0.275 125 S C -0.655 173.792 174.600 -0.255 0.000 1.345 125 S CA -0.176 57.645 58.200 -0.632 0.000 1.031 125 S CB 0.250 62.687 63.200 -1.272 0.000 0.892 125 S HN 0.512 nan 8.310 nan 0.000 0.529 126 Y N -2.387 117.687 120.300 -0.376 0.000 2.786 126 Y HA 0.516 5.066 4.550 -0.001 0.000 0.365 126 Y C -0.950 174.828 175.900 -0.203 0.000 1.171 126 Y CA -1.205 56.651 58.100 -0.408 0.000 1.214 126 Y CB 0.282 38.280 38.460 -0.770 0.000 1.411 126 Y HN 0.709 nan 8.280 nan 0.000 0.485 127 T N 0.392 114.890 114.554 -0.093 0.000 2.887 127 T HA 1.016 5.366 4.350 -0.000 0.000 0.288 127 T C -0.526 174.185 174.700 0.018 0.000 1.021 127 T CA 0.002 62.081 62.100 -0.036 0.000 1.000 127 T CB 1.717 70.566 68.868 -0.032 0.000 1.034 127 T HN 1.841 nan 8.240 nan 0.000 0.467 128 A N 1.564 124.397 122.820 0.021 0.000 2.567 128 A HA 0.868 5.187 4.320 -0.000 0.000 0.289 128 A C -0.469 176.910 177.584 -0.342 0.000 1.177 128 A CA -0.982 50.953 52.037 -0.170 0.000 0.694 128 A CB 1.339 20.207 19.000 -0.220 0.000 1.292 128 A HN 0.872 nan 8.150 nan 0.000 0.425 129 S N -0.864 114.389 115.700 -0.745 0.000 2.593 129 S HA 0.800 5.270 4.470 -0.000 0.000 0.297 129 S C -1.501 172.439 174.600 -1.101 0.000 1.112 129 S CA -0.092 57.597 58.200 -0.852 0.000 1.043 129 S CB 0.762 63.230 63.200 -1.221 0.000 1.054 129 S HN 0.451 nan 8.310 nan 0.000 0.516 130 Y N 0.049 120.119 120.300 -0.383 0.000 2.576 130 Y HA 0.613 5.163 4.550 -0.001 0.000 0.346 130 Y C 0.140 176.084 175.900 0.072 0.000 1.018 130 Y CA -0.704 57.327 58.100 -0.115 0.000 1.050 130 Y CB 2.180 40.511 38.460 -0.214 0.000 1.280 130 Y HN 0.557 nan 8.280 nan 0.000 0.474 131 S N 2.439 118.312 115.700 0.288 0.000 2.540 131 S HA 0.621 5.091 4.470 -0.000 0.000 0.275 131 S C -1.530 173.166 174.600 0.160 0.000 1.123 131 S CA -0.682 57.626 58.200 0.180 0.000 0.907 131 S CB 1.317 64.601 63.200 0.140 0.000 1.081 131 S HN 0.340 nan 8.310 nan 0.000 0.476 132 I N 3.168 123.809 120.570 0.119 0.000 2.355 132 I HA 0.269 4.439 4.170 -0.000 0.000 0.288 132 I C -0.838 175.418 176.117 0.231 0.000 0.999 132 I CA -0.521 60.886 61.300 0.179 0.000 1.163 132 I CB 0.627 38.669 38.000 0.070 0.000 1.316 132 I HN 0.721 nan 8.210 nan 0.000 0.454 133 Y N 5.823 126.225 120.300 0.171 0.000 2.341 133 Y HA 0.259 4.809 4.550 -0.000 0.000 0.340 133 Y C 0.280 176.264 175.900 0.140 0.000 0.997 133 Y CA -0.402 57.764 58.100 0.110 0.000 1.149 133 Y CB 0.716 39.204 38.460 0.046 0.000 1.171 133 Y HN 0.499 nan 8.280 nan 0.000 0.494 134 D N 6.734 126.828 120.400 -0.511 0.000 2.339 134 D HA 0.074 4.714 4.640 -0.000 0.000 0.241 134 D C 0.847 176.630 176.300 -0.862 0.000 1.183 134 D CA 0.270 53.961 54.000 -0.515 0.000 0.859 134 D CB 0.839 41.498 40.800 -0.236 0.000 1.067 134 D HN 0.873 nan 8.370 nan 0.000 0.484 135 L N 3.757 124.609 121.223 -0.619 0.000 2.017 135 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 135 L C 2.161 178.819 176.870 -0.352 0.000 1.073 135 L CA 0.966 55.573 54.840 -0.389 0.000 0.745 135 L CB -0.454 41.414 42.059 -0.318 0.000 0.894 135 L HN 0.425 nan 8.230 nan 0.000 0.432 136 N N 0.598 119.068 118.700 -0.382 0.000 2.025 136 N HA -0.262 4.477 4.740 -0.000 0.000 0.194 136 N C 1.747 177.127 175.510 -0.217 0.000 1.044 136 N CA 1.497 54.386 53.050 -0.269 0.000 0.851 136 N CB -0.026 38.296 38.487 -0.275 0.000 1.036 136 N HN -0.021 nan 8.380 nan 0.000 0.422 137 K N 0.889 121.148 120.400 -0.235 0.000 2.504 137 K HA 0.104 4.423 4.320 -0.000 0.000 0.195 137 K C -0.360 176.130 176.600 -0.183 0.000 1.036 137 K CA 0.307 56.495 56.287 -0.166 0.000 0.984 137 K CB 0.043 32.473 32.500 -0.116 0.000 0.788 137 K HN 0.165 nan 8.250 nan 0.000 0.488 138 R N 0.634 120.968 120.500 -0.277 0.000 3.336 138 R HA -0.223 4.117 4.340 -0.000 0.000 0.260 138 R C -1.095 175.099 176.300 -0.176 0.000 1.032 138 R CA 1.148 57.124 56.100 -0.206 0.000 0.693 138 R CB -2.021 28.257 30.300 -0.037 0.000 1.134 138 R HN 0.583 nan 8.270 nan 0.000 0.433 139 Q N -1.521 117.978 119.800 -0.501 0.000 2.721 139 Q HA 0.433 4.772 4.340 -0.000 0.000 0.282 139 Q C -0.959 174.940 176.000 -0.167 0.000 0.932 139 Q CA -1.065 54.661 55.803 -0.128 0.000 0.816 139 Q CB 0.689 29.419 28.738 -0.012 0.000 1.506 139 Q HN 0.110 nan 8.270 nan 0.000 0.399 140 L N 2.011 123.308 121.223 0.125 0.000 2.477 140 L HA 0.279 4.619 4.340 -0.000 0.000 0.272 140 L C -0.089 176.817 176.870 0.059 0.000 1.157 140 L CA -0.257 54.663 54.840 0.132 0.000 0.889 140 L CB 0.025 42.167 42.059 0.139 0.000 1.158 140 L HN 0.594 nan 8.230 nan 0.000 0.473 141 I N 2.902 123.497 120.570 0.041 0.000 2.648 141 I HA -0.073 4.097 4.170 -0.000 0.000 0.284 141 I C 1.230 177.362 176.117 0.025 0.000 1.153 141 I CA 0.536 61.851 61.300 0.026 0.000 1.426 141 I CB 0.942 38.856 38.000 -0.144 0.000 1.381 141 I HN 0.646 nan 8.210 nan 0.000 0.571 142 T N 3.123 117.704 114.554 0.044 0.000 2.975 142 T HA 0.108 4.457 4.350 -0.000 0.000 0.261 142 T C 1.042 175.748 174.700 0.010 0.000 0.984 142 T CA 0.070 62.183 62.100 0.021 0.000 0.911 142 T CB 0.131 69.013 68.868 0.024 0.000 1.127 142 T HN 0.596 nan 8.240 nan 0.000 0.514 143 E N 1.689 121.909 120.200 0.033 0.000 2.223 143 E HA 0.050 4.399 4.350 -0.000 0.000 0.267 143 E C 0.643 177.230 176.600 -0.021 0.000 0.857 143 E CA 0.653 57.066 56.400 0.021 0.000 1.467 143 E CB -0.052 29.689 29.700 0.068 0.000 0.965 143 E HN 0.225 nan 8.360 nan 0.000 0.591 144 E N 2.358 122.542 120.200 -0.026 0.000 1.858 144 E HA 0.005 4.355 4.350 -0.000 0.000 0.278 144 E C -0.486 176.050 176.600 -0.107 0.000 1.172 144 E CA 0.240 56.601 56.400 -0.065 0.000 1.127 144 E CB -0.546 29.123 29.700 -0.051 0.000 1.084 144 E HN 0.191 nan 8.360 nan 0.000 0.455 145 K N 1.072 121.401 120.400 -0.118 0.000 2.234 145 K HA 0.203 4.523 4.320 -0.000 0.000 0.251 145 K C 0.851 177.300 176.600 -0.252 0.000 1.011 145 K CA -0.184 56.012 56.287 -0.151 0.000 0.889 145 K CB 0.826 33.253 32.500 -0.121 0.000 1.011 145 K HN 0.381 nan 8.250 nan 0.000 0.505 146 I N 2.282 122.666 120.570 -0.311 0.000 2.336 146 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 146 I C -2.099 173.700 176.117 -0.530 0.000 0.991 146 I CA -2.509 58.464 61.300 -0.544 0.000 1.227 146 I CB 1.408 39.005 38.000 -0.671 0.000 1.366 146 I HN 0.425 nan 8.210 nan 0.000 0.466 147 P HA -0.154 nan 4.420 nan 0.000 0.265 147 P C -0.397 176.642 177.300 -0.436 0.000 1.151 147 P CA 0.656 63.281 63.100 -0.790 0.000 0.755 147 P CB 0.295 31.037 31.700 -1.596 0.000 0.756 148 N N 1.751 120.292 118.700 -0.265 0.000 2.515 148 N HA -0.035 4.705 4.740 -0.000 0.000 0.191 148 N C 0.504 176.002 175.510 -0.021 0.000 1.182 148 N CA -0.049 52.923 53.050 -0.130 0.000 0.879 148 N CB -0.072 38.364 38.487 -0.085 0.000 0.984 148 N HN 0.340 nan 8.380 nan 0.000 0.453 149 N N 0.136 118.918 118.700 0.136 0.000 2.547 149 N HA 0.044 4.784 4.740 -0.000 0.000 0.285 149 N C -1.118 174.588 175.510 0.327 0.000 1.600 149 N CA 0.047 53.230 53.050 0.223 0.000 0.872 149 N CB 0.864 39.511 38.487 0.267 0.000 1.412 149 N HN -0.041 nan 8.380 nan 0.000 0.489 150 T N 0.941 115.649 114.554 0.257 0.000 2.908 150 T HA 0.000 4.350 4.350 -0.000 0.000 0.301 150 T C 1.577 176.389 174.700 0.188 0.000 1.019 150 T CA 0.613 62.867 62.100 0.257 0.000 1.152 150 T CB 1.225 70.114 68.868 0.035 0.000 0.966 150 T HN 0.226 nan 8.240 nan 0.000 0.540 151 Q N 1.537 121.449 119.800 0.187 0.000 2.354 151 Q HA 0.156 4.496 4.340 -0.000 0.000 0.203 151 Q C 0.131 176.248 176.000 0.194 0.000 0.933 151 Q CA 0.322 56.229 55.803 0.173 0.000 0.901 151 Q CB 0.697 29.509 28.738 0.124 0.000 1.007 151 Q HN 0.747 nan 8.270 nan 0.000 0.495 152 W N -0.186 121.050 121.300 -0.107 0.000 3.736 152 W HA 0.434 5.094 4.660 -0.000 0.000 0.276 152 W C -2.474 173.948 176.519 -0.163 0.000 1.268 152 W CA -0.713 56.528 57.345 -0.173 0.000 1.216 152 W CB 0.643 29.950 29.460 -0.256 0.000 1.284 152 W HN -0.092 nan 8.180 nan 0.000 0.562 153 I N 3.947 123.730 120.570 -1.312 0.000 3.095 153 I HA 0.778 4.948 4.170 -0.000 0.000 0.310 153 I C -1.423 174.018 176.117 -1.127 0.000 1.196 153 I CA -0.274 60.424 61.300 -1.003 0.000 0.985 153 I CB 2.638 40.005 38.000 -1.055 0.000 1.250 153 I HN 0.392 nan 8.210 nan 0.000 0.446 154 T N 3.369 117.563 114.554 -0.599 0.000 3.128 154 T HA 0.311 4.661 4.350 -0.000 0.000 0.363 154 T C -1.745 172.860 174.700 -0.158 0.000 1.610 154 T CA -0.384 61.520 62.100 -0.327 0.000 1.126 154 T CB 0.394 69.275 68.868 0.022 0.000 1.416 154 T HN 0.552 nan 8.240 nan 0.000 0.480 155 W N 2.886 124.162 121.300 -0.040 0.000 2.049 155 W HA 0.491 5.151 4.660 -0.000 0.000 0.356 155 W C 1.576 177.893 176.519 -0.336 0.000 1.323 155 W CA -0.166 57.095 57.345 -0.141 0.000 1.336 155 W CB 0.502 29.910 29.460 -0.088 0.000 1.176 155 W HN 0.845 nan 8.180 nan 0.000 0.623 156 S N 0.005 115.459 115.700 -0.410 0.000 2.602 156 S HA 0.066 4.536 4.470 -0.000 0.000 0.257 156 S C 0.571 175.021 174.600 -0.250 0.000 1.250 156 S CA -0.181 57.434 58.200 -0.974 0.000 0.986 156 S CB 0.379 62.934 63.200 -1.075 0.000 1.040 156 S HN 0.658 nan 8.310 nan 0.000 0.562 157 Q N -0.272 119.432 119.800 -0.160 0.000 2.384 157 Q HA 0.136 4.476 4.340 -0.000 0.000 0.207 157 Q C 0.755 176.730 176.000 -0.041 0.000 0.904 157 Q CA 0.342 56.141 55.803 -0.007 0.000 0.933 157 Q CB 0.190 28.962 28.738 0.057 0.000 1.077 157 Q HN 0.652 nan 8.270 nan 0.000 0.522 158 E N -0.052 120.076 120.200 -0.120 0.000 2.799 158 E HA 0.131 4.480 4.350 -0.000 0.000 0.298 158 E C 1.199 177.731 176.600 -0.113 0.000 0.805 158 E CA 0.607 56.944 56.400 -0.104 0.000 1.265 158 E CB -0.856 28.766 29.700 -0.129 0.000 2.052 158 E HN 0.176 nan 8.360 nan 0.000 0.541 159 G N 0.687 109.380 108.800 -0.179 0.000 3.056 159 G HA2 -0.034 3.925 3.960 -0.000 0.000 0.175 159 G HA3 -0.034 3.925 3.960 -0.000 0.000 0.175 159 G C 0.084 174.906 174.900 -0.130 0.000 1.894 159 G CA 0.528 45.528 45.100 -0.166 0.000 0.910 159 G HN 0.511 nan 8.290 nan 0.000 0.462 160 H N -0.367 118.674 119.070 -0.050 0.000 2.676 160 H HA 0.468 5.024 4.556 -0.000 0.000 0.238 160 H C -0.309 175.134 175.328 0.191 0.000 1.276 160 H CA -0.471 55.598 56.048 0.034 0.000 0.983 160 H CB -0.224 29.508 29.762 -0.050 0.000 2.000 160 H HN 0.150 nan 8.280 nan 0.000 0.584 161 K N 1.569 121.912 120.400 -0.095 0.000 2.144 161 K HA 0.538 4.857 4.320 -0.000 0.000 0.270 161 K C -0.442 176.087 176.600 -0.118 0.000 1.005 161 K CA -0.493 55.664 56.287 -0.216 0.000 0.932 161 K CB 1.663 33.780 32.500 -0.638 0.000 1.021 161 K HN 0.179 nan 8.250 nan 0.000 0.462 162 L N 1.444 122.662 121.223 -0.008 0.000 2.370 162 L HA 0.670 5.010 4.340 -0.000 0.000 0.266 162 L C -0.928 176.131 176.870 0.314 0.000 1.002 162 L CA -0.927 53.905 54.840 -0.014 0.000 0.818 162 L CB 2.153 44.062 42.059 -0.250 0.000 1.325 162 L HN 0.684 nan 8.230 nan 0.000 0.418 163 A N 2.342 125.343 122.820 0.302 0.000 2.398 163 A HA 0.795 5.115 4.320 -0.000 0.000 0.301 163 A C -1.683 175.935 177.584 0.056 0.000 1.041 163 A CA -0.385 51.754 52.037 0.171 0.000 0.711 163 A CB 1.289 20.346 19.000 0.095 0.000 1.240 163 A HN 0.648 nan 8.150 nan 0.000 0.420 164 Y N -0.354 119.907 120.300 -0.064 0.000 2.588 164 Y HA 0.781 5.331 4.550 -0.001 0.000 0.343 164 Y C -1.275 174.651 175.900 0.042 0.000 1.065 164 Y CA -1.574 56.460 58.100 -0.111 0.000 1.038 164 Y CB 1.076 39.388 38.460 -0.245 0.000 1.297 164 Y HN 0.426 nan 8.280 nan 0.000 0.467 165 V N 2.283 122.338 119.914 0.234 0.000 2.513 165 V HA 0.430 4.550 4.120 -0.000 0.000 0.299 165 V C -1.429 174.894 176.094 0.381 0.000 1.035 165 V CA -0.591 61.825 62.300 0.194 0.000 0.889 165 V CB 1.461 33.306 31.823 0.035 0.000 0.988 165 V HN 0.883 nan 8.190 nan 0.000 0.440 166 W N 5.248 126.660 121.300 0.185 0.000 3.211 166 W HA 0.538 5.198 4.660 -0.000 0.000 0.335 166 W C 0.066 176.653 176.519 0.113 0.000 1.113 166 W CA -1.029 56.394 57.345 0.130 0.000 1.235 166 W CB 1.280 30.801 29.460 0.100 0.000 1.365 166 W HN 0.536 nan 8.180 nan 0.000 0.476 167 K N 5.116 125.116 120.400 -0.665 0.000 3.071 167 K HA -0.314 4.006 4.320 -0.000 0.000 0.265 167 K C 0.270 176.690 176.600 -0.301 0.000 1.060 167 K CA 1.492 57.401 56.287 -0.630 0.000 0.767 167 K CB -1.688 30.259 32.500 -0.921 0.000 1.241 167 K HN 0.907 nan 8.250 nan 0.000 0.486 168 N N -0.428 118.146 118.700 -0.210 0.000 2.828 168 N HA -0.166 4.574 4.740 -0.000 0.000 0.248 168 N C -0.721 174.705 175.510 -0.139 0.000 1.044 168 N CA 1.815 54.752 53.050 -0.187 0.000 0.851 168 N CB -0.369 37.943 38.487 -0.290 0.000 1.136 168 N HN 0.472 nan 8.380 nan 0.000 0.572 169 D N -0.133 120.220 120.400 -0.078 0.000 2.342 169 D HA 0.469 5.109 4.640 -0.000 0.000 0.243 169 D C 0.416 176.586 176.300 -0.216 0.000 1.019 169 D CA -0.444 53.451 54.000 -0.175 0.000 0.864 169 D CB 1.312 41.989 40.800 -0.205 0.000 1.315 169 D HN 0.015 nan 8.370 nan 0.000 0.468 170 I N 1.906 122.193 120.570 -0.472 0.000 2.396 170 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 170 I C -0.612 175.079 176.117 -0.710 0.000 0.999 170 I CA -0.401 60.602 61.300 -0.495 0.000 1.310 170 I CB 0.521 38.147 38.000 -0.624 0.000 1.404 170 I HN 0.174 nan 8.210 nan 0.000 0.496 171 Y N 4.022 123.966 120.300 -0.593 0.000 2.545 171 Y HA 0.685 5.235 4.550 -0.000 0.000 0.348 171 Y C -0.316 175.270 175.900 -0.522 0.000 1.002 171 Y CA -0.949 56.774 58.100 -0.629 0.000 1.039 171 Y CB 2.038 39.884 38.460 -1.024 0.000 1.271 171 Y HN 0.117 nan 8.280 nan 0.000 0.467 172 V N 2.371 122.240 119.914 -0.076 0.000 2.841 172 V HA 0.477 4.596 4.120 -0.000 0.000 0.310 172 V C -1.035 175.161 176.094 0.170 0.000 1.090 172 V CA -1.424 60.914 62.300 0.063 0.000 0.930 172 V CB 2.225 34.099 31.823 0.085 0.000 1.014 172 V HN 0.602 nan 8.190 nan 0.000 0.425 173 K N 4.301 124.807 120.400 0.178 0.000 2.483 173 K HA 0.445 4.765 4.320 -0.000 0.000 0.256 173 K C 0.178 176.853 176.600 0.125 0.000 0.961 173 K CA -0.585 55.791 56.287 0.149 0.000 0.873 173 K CB 2.302 34.849 32.500 0.080 0.000 1.107 173 K HN 0.436 nan 8.250 nan 0.000 0.432 174 I N 1.399 122.051 120.570 0.136 0.000 2.567 174 I HA -0.244 3.926 4.170 -0.000 0.000 0.257 174 I C 0.711 176.856 176.117 0.045 0.000 1.184 174 I CA 1.293 62.635 61.300 0.070 0.000 1.451 174 I CB -0.181 37.857 38.000 0.063 0.000 1.089 174 I HN 0.679 nan 8.210 nan 0.000 0.441 175 E N -1.588 118.665 120.200 0.089 0.000 2.375 175 E HA 0.285 4.635 4.350 -0.000 0.000 0.280 175 E C -2.427 174.160 176.600 -0.021 0.000 0.972 175 E CA -1.483 55.003 56.400 0.143 0.000 0.782 175 E CB 1.327 31.166 29.700 0.231 0.000 1.229 175 E HN -0.305 nan 8.360 nan 0.000 0.439 176 P HA -0.190 nan 4.420 nan 0.000 0.217 176 P C 0.550 177.664 177.300 -0.310 0.000 1.148 176 P CA 1.353 64.224 63.100 -0.381 0.000 0.834 176 P CB 0.054 31.283 31.700 -0.786 0.000 0.783 177 H N -1.611 117.420 119.070 -0.065 0.000 2.448 177 H HA 0.119 4.675 4.556 -0.000 0.000 0.292 177 H C 1.124 176.445 175.328 -0.012 0.000 1.035 177 H CA 0.403 56.441 56.048 -0.016 0.000 1.349 177 H CB -0.423 29.348 29.762 0.015 0.000 1.425 177 H HN 0.163 nan 8.280 nan 0.000 0.539 178 L N 2.971 124.255 121.223 0.103 0.000 2.464 178 L HA 0.134 4.473 4.340 -0.000 0.000 0.264 178 L C -1.761 175.124 176.870 0.025 0.000 1.199 178 L CA -1.755 53.129 54.840 0.073 0.000 0.818 178 L CB 0.133 42.252 42.059 0.100 0.000 1.102 178 L HN 0.004 nan 8.230 nan 0.000 0.473 179 P HA 0.090 nan 4.420 nan 0.000 0.274 179 P C -0.777 176.464 177.300 -0.098 0.000 1.246 179 P CA -0.470 62.587 63.100 -0.072 0.000 0.795 179 P CB 0.857 32.490 31.700 -0.112 0.000 1.006 180 S N 0.336 115.984 115.700 -0.087 0.000 2.565 180 S HA 0.182 4.652 4.470 -0.000 0.000 0.276 180 S C 0.067 174.577 174.600 -0.151 0.000 1.326 180 S CA -0.174 58.017 58.200 -0.014 0.000 1.045 180 S CB -0.282 62.961 63.200 0.071 0.000 0.918 180 S HN 0.404 nan 8.310 nan 0.000 0.505 181 H N 2.263 121.373 119.070 0.067 0.000 2.638 181 H HA 0.234 4.790 4.556 -0.001 0.000 0.317 181 H C 0.115 175.420 175.328 -0.039 0.000 1.006 181 H CA -0.457 55.602 56.048 0.019 0.000 1.222 181 H CB 0.820 30.579 29.762 -0.005 0.000 1.419 181 H HN 0.499 nan 8.280 nan 0.000 0.489 182 R N 3.770 124.277 120.500 0.011 0.000 2.370 182 R HA 0.043 4.382 4.340 -0.000 0.000 0.309 182 R C 0.554 176.668 176.300 -0.310 0.000 1.059 182 R CA -0.216 55.694 56.100 -0.317 0.000 0.981 182 R CB 0.249 30.396 30.300 -0.255 0.000 0.972 182 R HN 0.510 nan 8.270 nan 0.000 0.437 183 I N 2.567 122.863 120.570 -0.457 0.000 2.867 183 I HA -0.019 4.151 4.170 -0.000 0.000 0.265 183 I C 0.980 176.866 176.117 -0.385 0.000 1.162 183 I CA 0.914 61.994 61.300 -0.368 0.000 1.471 183 I CB -0.523 37.220 38.000 -0.429 0.000 1.123 183 I HN 0.689 nan 8.210 nan 0.000 0.440 184 T N -1.908 112.366 114.554 -0.467 0.000 2.896 184 T HA 0.522 4.871 4.350 -0.000 0.000 0.297 184 T C 0.257 174.770 174.700 -0.311 0.000 1.108 184 T CA -0.154 61.723 62.100 -0.371 0.000 1.004 184 T CB 2.319 70.942 68.868 -0.409 0.000 1.159 184 T HN 0.073 nan 8.240 nan 0.000 0.499 185 S N -1.270 114.305 115.700 -0.208 0.000 2.893 185 S HA 0.122 4.592 4.470 -0.000 0.000 0.258 185 S C 1.400 175.937 174.600 -0.105 0.000 1.034 185 S CA 0.287 58.399 58.200 -0.147 0.000 1.167 185 S CB -0.444 62.692 63.200 -0.107 0.000 1.137 185 S HN 1.013 nan 8.310 nan 0.000 0.650 186 T N -0.529 113.961 114.554 -0.106 0.000 3.113 186 T HA 0.283 4.632 4.350 -0.000 0.000 0.256 186 T C 1.196 175.858 174.700 -0.064 0.000 1.131 186 T CA 0.393 62.454 62.100 -0.065 0.000 1.074 186 T CB -0.649 68.192 68.868 -0.045 0.000 0.944 186 T HN 0.526 nan 8.240 nan 0.000 0.516 187 G N 1.254 109.994 108.800 -0.100 0.000 2.224 187 G HA2 0.322 4.281 3.960 -0.000 0.000 0.239 187 G HA3 0.322 4.281 3.960 -0.000 0.000 0.239 187 G C -0.576 174.247 174.900 -0.128 0.000 1.240 187 G CA -0.326 44.700 45.100 -0.123 0.000 0.896 187 G HN 0.612 nan 8.290 nan 0.000 0.496 188 K N 1.706 122.010 120.400 -0.161 0.000 2.570 188 K HA 0.157 4.476 4.320 -0.000 0.000 0.256 188 K C -0.323 176.151 176.600 -0.210 0.000 0.939 188 K CA -0.710 55.492 56.287 -0.142 0.000 0.833 188 K CB 1.645 34.110 32.500 -0.058 0.000 1.318 188 K HN 0.665 nan 8.250 nan 0.000 0.433 189 E N 3.587 123.671 120.200 -0.194 0.000 2.558 189 E HA -0.114 4.236 4.350 -0.000 0.000 0.255 189 E C -0.348 176.204 176.600 -0.081 0.000 0.968 189 E CA 0.557 56.830 56.400 -0.212 0.000 0.939 189 E CB 0.200 29.798 29.700 -0.170 0.000 0.921 189 E HN 0.668 nan 8.360 nan 0.000 0.477 190 N N 1.971 120.623 118.700 -0.080 0.000 2.778 190 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 190 N C -0.013 175.719 175.510 0.369 0.000 1.069 190 N CA 1.152 54.370 53.050 0.279 0.000 0.831 190 N CB -1.077 37.603 38.487 0.320 0.000 1.142 190 N HN 0.345 nan 8.380 nan 0.000 0.573 191 V N -1.362 118.669 119.914 0.196 0.000 3.278 191 V HA 0.288 4.408 4.120 -0.000 0.000 0.215 191 V C 0.517 176.784 176.094 0.288 0.000 1.287 191 V CA 0.362 62.810 62.300 0.246 0.000 1.302 191 V CB 0.677 32.584 31.823 0.141 0.000 1.228 191 V HN 0.028 nan 8.190 nan 0.000 0.523 192 I N 1.545 122.174 120.570 0.097 0.000 2.382 192 I HA 0.476 4.645 4.170 -0.000 0.000 0.286 192 I C -1.348 174.794 176.117 0.042 0.000 1.002 192 I CA -0.388 61.009 61.300 0.162 0.000 1.135 192 I CB 0.913 38.959 38.000 0.076 0.000 1.288 192 I HN 0.095 nan 8.210 nan 0.000 0.448 193 F N 4.935 124.990 119.950 0.175 0.000 2.411 193 F HA 0.424 4.951 4.527 -0.000 0.000 0.352 193 F C 0.650 176.535 175.800 0.143 0.000 1.123 193 F CA -0.663 57.444 58.000 0.177 0.000 1.044 193 F CB 0.984 40.162 39.000 0.295 0.000 1.135 193 F HN 0.319 nan 8.300 nan 0.000 0.461 194 N N 2.186 120.972 118.700 0.143 0.000 2.511 194 N HA 0.366 5.105 4.740 -0.000 0.000 0.249 194 N C 0.788 176.266 175.510 -0.053 0.000 0.971 194 N CA 0.195 53.264 53.050 0.031 0.000 0.938 194 N CB 1.778 40.183 38.487 -0.135 0.000 1.131 194 N HN 0.877 nan 8.380 nan 0.000 0.505 195 G N 1.688 110.490 108.800 0.003 0.000 2.162 195 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 195 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 195 G C 0.104 174.874 174.900 -0.217 0.000 0.976 195 G CA 0.771 45.792 45.100 -0.131 0.000 0.655 195 G HN 0.645 nan 8.290 nan 0.000 0.533 196 I N -3.721 116.799 120.570 -0.084 0.000 2.994 196 I HA 0.628 4.797 4.170 -0.000 0.000 0.306 196 I C -0.663 175.508 176.117 0.090 0.000 1.195 196 I CA -1.609 59.539 61.300 -0.253 0.000 1.001 196 I CB 1.725 39.407 38.000 -0.530 0.000 1.244 196 I HN -0.137 nan 8.210 nan 0.000 0.437 197 N N 2.963 121.655 118.700 -0.014 0.000 2.508 197 N HA 0.197 4.937 4.740 -0.000 0.000 0.285 197 N C -0.882 174.449 175.510 -0.299 0.000 1.144 197 N CA -0.325 52.589 53.050 -0.226 0.000 0.978 197 N CB 1.174 39.629 38.487 -0.054 0.000 1.180 197 N HN 0.780 nan 8.380 nan 0.000 0.484 198 D N -0.428 119.448 120.400 -0.873 0.000 2.447 198 D HA -0.051 4.589 4.640 -0.000 0.000 0.265 198 D C 1.094 177.263 176.300 -0.218 0.000 1.250 198 D CA -0.436 52.982 54.000 -0.970 0.000 1.046 198 D CB 0.547 40.722 40.800 -1.042 0.000 1.095 198 D HN 0.499 nan 8.370 nan 0.000 0.555 199 W N 0.242 121.433 121.300 -0.181 0.000 2.332 199 W HA -0.220 4.440 4.660 -0.000 0.000 0.321 199 W C 2.332 178.743 176.519 -0.181 0.000 1.219 199 W CA 2.426 59.685 57.345 -0.142 0.000 1.277 199 W CB -0.633 28.689 29.460 -0.229 0.000 1.161 199 W HN 0.199 nan 8.180 nan 0.000 0.476 200 V N -0.012 119.981 119.914 0.132 0.000 2.490 200 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 200 V C 1.866 177.789 176.094 -0.284 0.000 1.061 200 V CA 2.096 64.347 62.300 -0.083 0.000 1.064 200 V CB -0.754 31.031 31.823 -0.063 0.000 0.670 200 V HN 0.338 nan 8.190 nan 0.000 0.461 201 Y N 0.347 120.472 120.300 -0.292 0.000 2.263 201 Y HA -0.121 4.429 4.550 -0.000 0.000 0.292 201 Y C 2.624 178.423 175.900 -0.168 0.000 1.130 201 Y CA 2.031 59.965 58.100 -0.278 0.000 1.179 201 Y CB 0.030 38.217 38.460 -0.454 0.000 0.998 201 Y HN 0.349 nan 8.280 nan 0.000 0.532 202 E N 0.151 120.321 120.200 -0.049 0.000 2.107 202 E HA -0.236 4.113 4.350 -0.000 0.000 0.191 202 E C 1.776 178.330 176.600 -0.077 0.000 0.982 202 E CA 1.277 57.681 56.400 0.006 0.000 0.809 202 E CB 0.156 29.868 29.700 0.020 0.000 0.756 202 E HN 0.387 nan 8.360 nan 0.000 0.459 203 E N 0.240 120.216 120.200 -0.373 0.000 2.102 203 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 203 E C 1.528 177.998 176.600 -0.217 0.000 0.971 203 E CA 1.124 57.285 56.400 -0.399 0.000 0.821 203 E CB 0.289 29.404 29.700 -0.975 0.000 0.777 203 E HN 0.162 nan 8.360 nan 0.000 0.460 204 E N -0.580 119.466 120.200 -0.257 0.000 2.413 204 E HA 0.099 4.449 4.350 -0.000 0.000 0.203 204 E C 1.588 178.037 176.600 -0.252 0.000 0.957 204 E CA 0.087 56.375 56.400 -0.187 0.000 0.950 204 E CB 0.673 30.248 29.700 -0.207 0.000 0.957 204 E HN 0.283 nan 8.360 nan 0.000 0.497 205 I N -0.131 120.224 120.570 -0.359 0.000 2.962 205 I HA 0.117 4.286 4.170 -0.000 0.000 0.246 205 I C 0.903 176.774 176.117 -0.410 0.000 1.091 205 I CA 0.588 61.580 61.300 -0.513 0.000 1.469 205 I CB -0.600 36.913 38.000 -0.812 0.000 1.324 205 I HN -0.135 nan 8.210 nan 0.000 0.461 206 F N 0.153 120.111 119.950 0.013 0.000 2.440 206 F HA 0.499 5.026 4.527 -0.000 0.000 0.328 206 F C 1.495 177.252 175.800 -0.072 0.000 1.070 206 F CA -0.589 57.424 58.000 0.022 0.000 1.011 206 F CB 1.184 40.236 39.000 0.088 0.000 1.226 206 F HN -0.051 nan 8.300 nan 0.000 0.491 207 G N 0.363 109.204 108.800 0.069 0.000 2.985 207 G HA2 0.446 4.406 3.960 -0.000 0.000 0.209 207 G HA3 0.446 4.406 3.960 -0.000 0.000 0.209 207 G C 0.070 174.593 174.900 -0.628 0.000 1.165 207 G CA 0.551 45.526 45.100 -0.208 0.000 0.776 207 G HN 0.745 nan 8.290 nan 0.000 0.541 208 A N -1.075 121.595 122.820 -0.250 0.000 2.486 208 A HA 0.629 4.949 4.320 -0.000 0.000 0.277 208 A C 0.172 177.754 177.584 -0.003 0.000 1.282 208 A CA -0.636 51.268 52.037 -0.221 0.000 0.784 208 A CB 0.419 19.278 19.000 -0.236 0.000 1.350 208 A HN 0.011 nan 8.150 nan 0.000 0.454 209 Y N 0.518 120.687 120.300 -0.219 0.000 2.448 209 Y HA 0.211 4.760 4.550 -0.000 0.000 0.289 209 Y C 1.459 177.067 175.900 -0.486 0.000 1.114 209 Y CA 0.659 58.624 58.100 -0.225 0.000 1.235 209 Y CB -0.189 38.178 38.460 -0.155 0.000 1.045 209 Y HN 0.484 nan 8.280 nan 0.000 0.554 210 S N 0.438 115.635 115.700 -0.838 0.000 2.549 210 S HA 0.459 4.928 4.470 -0.000 0.000 0.283 210 S C 0.402 174.448 174.600 -0.923 0.000 1.320 210 S CA 0.278 57.724 58.200 -1.257 0.000 1.058 210 S CB 0.392 62.557 63.200 -1.725 0.000 0.882 210 S HN 0.413 nan 8.310 nan 0.000 0.498 211 A N 5.574 127.844 122.820 -0.917 0.000 2.663 211 A HA 0.480 4.800 4.320 -0.000 0.000 0.273 211 A C -0.483 176.377 177.584 -1.206 0.000 0.932 211 A CA -0.435 51.013 52.037 -0.982 0.000 1.055 211 A CB 0.057 18.911 19.000 -0.244 0.000 1.206 211 A HN 0.685 nan 8.150 nan 0.000 0.485 212 L N 0.020 120.448 121.223 -1.325 0.000 2.354 212 L HA 0.641 4.981 4.340 -0.000 0.000 0.269 212 L C -1.061 175.253 176.870 -0.926 0.000 1.005 212 L CA -0.665 53.701 54.840 -0.790 0.000 0.819 212 L CB 1.931 43.781 42.059 -0.348 0.000 1.311 212 L HN 0.411 nan 8.230 nan 0.000 0.423 213 W N 1.878 123.222 121.300 0.073 0.000 2.740 213 W HA 0.208 4.868 4.660 -0.001 0.000 0.316 213 W C -1.210 175.531 176.519 0.370 0.000 1.020 213 W CA -1.050 56.467 57.345 0.286 0.000 1.278 213 W CB 1.182 30.864 29.460 0.370 0.000 1.224 213 W HN 0.495 nan 8.180 nan 0.000 0.393 214 W N 2.523 124.021 121.300 0.330 0.000 2.190 214 W HA 0.242 4.902 4.660 -0.000 0.000 0.330 214 W C 1.315 177.641 176.519 -0.321 0.000 1.299 214 W CA 0.511 57.898 57.345 0.069 0.000 1.215 214 W CB 0.920 30.404 29.460 0.040 0.000 1.147 214 W HN 0.167 nan 8.180 nan 0.000 0.563 215 S N 3.024 118.433 115.700 -0.486 0.000 2.652 215 S HA 0.530 5.000 4.470 -0.000 0.000 0.270 215 S C -2.538 171.829 174.600 -0.389 0.000 1.243 215 S CA -1.547 55.880 58.200 -1.289 0.000 0.999 215 S CB 1.229 63.548 63.200 -1.469 0.000 0.973 215 S HN 0.133 nan 8.310 nan 0.000 0.544 216 P HA 0.334 nan 4.420 nan 0.000 0.271 216 P C -0.030 177.231 177.300 -0.064 0.000 1.216 216 P CA 0.121 63.189 63.100 -0.053 0.000 0.776 216 P CB 0.184 31.905 31.700 0.035 0.000 0.881 217 N N 1.699 120.368 118.700 -0.051 0.000 2.972 217 N HA -0.169 4.571 4.740 -0.000 0.000 0.225 217 N C 0.832 176.284 175.510 -0.098 0.000 0.883 217 N CA 1.634 54.646 53.050 -0.064 0.000 1.010 217 N CB -1.895 36.566 38.487 -0.042 0.000 1.052 217 N HN 0.826 nan 8.380 nan 0.000 0.598 218 G N -0.372 108.376 108.800 -0.086 0.000 2.341 218 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.292 218 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.292 218 G C 0.969 175.885 174.900 0.027 0.000 1.021 218 G CA 1.588 46.687 45.100 -0.003 0.000 0.905 218 G HN 0.488 nan 8.290 nan 0.000 0.508 219 T N -0.661 113.813 114.554 -0.133 0.000 2.770 219 T HA 0.245 4.595 4.350 -0.000 0.000 0.258 219 T C 1.023 175.504 174.700 -0.365 0.000 1.039 219 T CA 1.153 63.039 62.100 -0.356 0.000 1.143 219 T CB -0.020 68.427 68.868 -0.702 0.000 0.866 219 T HN 0.343 nan 8.240 nan 0.000 0.428 220 F N 0.274 120.221 119.950 -0.004 0.000 2.450 220 F HA 0.668 5.195 4.527 -0.000 0.000 0.328 220 F C -0.257 175.528 175.800 -0.025 0.000 1.068 220 F CA -1.469 56.552 58.000 0.035 0.000 1.007 220 F CB 0.874 39.976 39.000 0.169 0.000 1.251 220 F HN -0.117 nan 8.300 nan 0.000 0.492 221 L N 1.751 123.070 121.223 0.159 0.000 2.446 221 L HA 0.759 5.098 4.340 -0.000 0.000 0.268 221 L C -0.778 176.168 176.870 0.126 0.000 0.975 221 L CA -0.609 54.145 54.840 -0.143 0.000 0.848 221 L CB 0.821 42.492 42.059 -0.646 0.000 1.225 221 L HN 0.685 nan 8.230 nan 0.000 0.410 222 A N 4.451 127.447 122.820 0.293 0.000 2.293 222 A HA 0.837 5.157 4.320 -0.000 0.000 0.302 222 A C -1.388 176.265 177.584 0.115 0.000 1.119 222 A CA -0.137 51.947 52.037 0.078 0.000 0.823 222 A CB 0.663 19.764 19.000 0.169 0.000 1.097 222 A HN 1.041 nan 8.150 nan 0.000 0.491 223 Y N -2.308 117.764 120.300 -0.380 0.000 2.604 223 Y HA 0.695 5.245 4.550 -0.000 0.000 0.331 223 Y C -0.455 175.277 175.900 -0.279 0.000 1.158 223 Y CA -0.833 57.145 58.100 -0.204 0.000 1.056 223 Y CB 0.690 39.018 38.460 -0.220 0.000 1.330 223 Y HN 0.967 nan 8.280 nan 0.000 0.457 224 A N 2.565 125.428 122.820 0.071 0.000 2.306 224 A HA 0.706 5.025 4.320 -0.000 0.000 0.330 224 A C -1.089 176.369 177.584 -0.210 0.000 1.146 224 A CA -0.811 51.140 52.037 -0.144 0.000 0.827 224 A CB 1.712 20.624 19.000 -0.146 0.000 1.178 224 A HN 0.830 nan 8.150 nan 0.000 0.490 225 Q N 0.892 120.480 119.800 -0.354 0.000 2.337 225 Q HA 0.648 4.988 4.340 -0.000 0.000 0.270 225 Q C -2.077 173.673 176.000 -0.418 0.000 1.043 225 Q CA -0.383 55.332 55.803 -0.147 0.000 0.794 225 Q CB 1.170 30.043 28.738 0.226 0.000 1.281 225 Q HN 0.609 nan 8.270 nan 0.000 0.446 226 F N 1.951 121.999 119.950 0.163 0.000 2.532 226 F HA 0.442 4.969 4.527 -0.000 0.000 0.321 226 F C 0.220 176.154 175.800 0.222 0.000 1.089 226 F CA -1.012 57.052 58.000 0.107 0.000 0.926 226 F CB 1.601 40.566 39.000 -0.059 0.000 1.168 226 F HN 0.429 nan 8.300 nan 0.000 0.459 227 N N 1.669 120.577 118.700 0.347 0.000 2.476 227 N HA 0.179 4.919 4.740 -0.000 0.000 0.257 227 N C -0.719 174.957 175.510 0.276 0.000 0.970 227 N CA -0.242 52.980 53.050 0.286 0.000 0.938 227 N CB 1.026 39.627 38.487 0.190 0.000 1.144 227 N HN 0.563 nan 8.380 nan 0.000 0.500 228 D N 1.870 122.462 120.400 0.320 0.000 2.370 228 D HA 0.110 4.750 4.640 -0.000 0.000 0.230 228 D C 1.161 177.590 176.300 0.216 0.000 1.143 228 D CA 0.190 54.352 54.000 0.271 0.000 0.834 228 D CB 0.434 41.450 40.800 0.360 0.000 0.944 228 D HN 0.489 nan 8.370 nan 0.000 0.504 229 T N -0.771 113.891 114.554 0.181 0.000 2.580 229 T HA -0.152 4.198 4.350 -0.000 0.000 0.265 229 T C 1.886 176.648 174.700 0.103 0.000 1.063 229 T CA 1.792 63.971 62.100 0.133 0.000 1.170 229 T CB -0.349 68.583 68.868 0.107 0.000 0.863 229 T HN 0.340 nan 8.240 nan 0.000 0.418 230 G N 0.912 109.766 108.800 0.090 0.000 2.679 230 G HA2 0.115 4.075 3.960 -0.000 0.000 0.212 230 G HA3 0.115 4.075 3.960 -0.000 0.000 0.212 230 G C 0.488 175.433 174.900 0.074 0.000 1.137 230 G CA -0.060 45.081 45.100 0.068 0.000 0.787 230 G HN 0.444 nan 8.290 nan 0.000 0.534 231 V N 2.253 122.227 119.914 0.101 0.000 2.540 231 V HA 0.112 4.231 4.120 -0.000 0.000 0.297 231 V C -1.578 174.577 176.094 0.102 0.000 1.024 231 V CA -1.245 61.119 62.300 0.108 0.000 1.105 231 V CB 0.991 32.895 31.823 0.136 0.000 0.938 231 V HN 0.089 nan 8.190 nan 0.000 0.482 232 P HA 0.268 nan 4.420 nan 0.000 0.271 232 P C -0.618 176.732 177.300 0.084 0.000 1.233 232 P CA -0.235 62.906 63.100 0.069 0.000 0.789 232 P CB 0.523 32.261 31.700 0.063 0.000 0.951 233 L N 1.371 122.619 121.223 0.042 0.000 2.334 233 L HA 0.575 4.914 4.340 -0.000 0.000 0.276 233 L C 0.062 176.909 176.870 -0.038 0.000 1.014 233 L CA -1.059 53.809 54.840 0.046 0.000 0.815 233 L CB 1.227 43.312 42.059 0.043 0.000 1.268 233 L HN 0.290 nan 8.230 nan 0.000 0.428 234 I N -0.929 119.583 120.570 -0.096 0.000 2.493 234 I HA 0.498 4.668 4.170 -0.000 0.000 0.298 234 I C -0.604 175.407 176.117 -0.177 0.000 0.998 234 I CA -0.202 60.936 61.300 -0.271 0.000 1.137 234 I CB 1.812 39.405 38.000 -0.677 0.000 1.310 234 I HN 0.503 nan 8.210 nan 0.000 0.445 235 E N 5.413 125.515 120.200 -0.162 0.000 2.731 235 E HA 0.206 4.556 4.350 -0.000 0.000 0.248 235 E C -1.607 174.930 176.600 -0.104 0.000 1.084 235 E CA -0.613 55.717 56.400 -0.117 0.000 0.776 235 E CB 1.060 30.736 29.700 -0.039 0.000 1.404 235 E HN 0.682 nan 8.360 nan 0.000 0.395 236 Y N -0.419 119.833 120.300 -0.079 0.000 2.298 236 Y HA 0.528 5.078 4.550 -0.000 0.000 0.329 236 Y C 0.248 176.117 175.900 -0.051 0.000 1.293 236 Y CA -0.825 57.231 58.100 -0.074 0.000 1.388 236 Y CB 0.616 39.048 38.460 -0.047 0.000 1.309 236 Y HN -0.054 nan 8.280 nan 0.000 0.544 237 S N 1.858 117.645 115.700 0.145 0.000 2.585 237 S HA 0.484 4.954 4.470 -0.000 0.000 0.277 237 S C -1.507 173.061 174.600 -0.053 0.000 1.241 237 S CA -0.529 57.621 58.200 -0.083 0.000 1.041 237 S CB 0.389 63.393 63.200 -0.326 0.000 0.987 237 S HN 0.571 nan 8.310 nan 0.000 0.512 238 F N 2.217 121.951 119.950 -0.359 0.000 2.539 238 F HA 0.422 4.949 4.527 -0.000 0.000 0.328 238 F C -0.406 175.157 175.800 -0.395 0.000 1.148 238 F CA -0.818 57.043 58.000 -0.231 0.000 0.940 238 F CB 0.770 39.782 39.000 0.020 0.000 1.194 238 F HN 0.665 nan 8.300 nan 0.000 0.438 239 Y N 2.667 122.743 120.300 -0.372 0.000 2.448 239 Y HA 0.119 4.669 4.550 -0.000 0.000 0.289 239 Y C 1.736 177.542 175.900 -0.156 0.000 1.114 239 Y CA 0.980 58.957 58.100 -0.205 0.000 1.235 239 Y CB -0.716 37.623 38.460 -0.203 0.000 1.045 239 Y HN 0.713 nan 8.280 nan 0.000 0.554 240 S N -0.085 115.466 115.700 -0.248 0.000 3.238 240 S HA -0.232 4.238 4.470 -0.000 0.000 0.635 240 S C -0.415 174.226 174.600 0.067 0.000 2.771 240 S CA 0.329 58.571 58.200 0.070 0.000 2.973 240 S CB -1.089 62.296 63.200 0.309 0.000 0.332 240 S HN 0.498 nan 8.310 nan 0.000 1.788 241 D N 2.012 122.475 120.400 0.105 0.000 2.443 241 D HA 0.084 4.723 4.640 -0.000 0.000 0.234 241 D C 1.503 177.839 176.300 0.059 0.000 1.172 241 D CA 0.737 54.781 54.000 0.072 0.000 0.878 241 D CB 0.135 40.980 40.800 0.075 0.000 1.204 241 D HN 0.738 nan 8.370 nan 0.000 0.453 242 E N -0.433 119.791 120.200 0.039 0.000 2.463 242 E HA -0.167 4.183 4.350 -0.000 0.000 0.201 242 E C 1.180 177.799 176.600 0.032 0.000 1.045 242 E CA 0.826 57.243 56.400 0.027 0.000 0.872 242 E CB -0.046 29.661 29.700 0.012 0.000 0.797 242 E HN 0.323 nan 8.360 nan 0.000 0.538 243 S N 0.464 116.189 115.700 0.043 0.000 2.470 243 S HA -0.037 4.433 4.470 -0.000 0.000 0.225 243 S C 0.889 175.524 174.600 0.057 0.000 1.006 243 S CA -0.310 57.917 58.200 0.044 0.000 0.934 243 S CB -0.258 62.969 63.200 0.045 0.000 0.778 243 S HN 0.285 nan 8.310 nan 0.000 0.517 244 L N 2.645 123.912 121.223 0.073 0.000 2.477 244 L HA 0.268 4.608 4.340 -0.000 0.000 0.272 244 L C 1.410 178.329 176.870 0.082 0.000 1.157 244 L CA 0.228 55.123 54.840 0.093 0.000 0.889 244 L CB 0.674 42.802 42.059 0.115 0.000 1.158 244 L HN 0.318 nan 8.230 nan 0.000 0.473 245 Q N 3.879 123.739 119.800 0.101 0.000 2.137 245 Q HA -0.042 4.297 4.340 -0.000 0.000 0.198 245 Q C -0.579 175.395 176.000 -0.043 0.000 0.960 245 Q CA 1.061 56.887 55.803 0.039 0.000 0.847 245 Q CB 0.167 28.961 28.738 0.093 0.000 0.915 245 Q HN 0.675 nan 8.270 nan 0.000 0.448 246 Y N 1.866 122.187 120.300 0.034 0.000 2.345 246 Y HA 0.385 4.934 4.550 -0.000 0.000 0.331 246 Y C -2.032 173.883 175.900 0.024 0.000 0.959 246 Y CA -3.001 55.115 58.100 0.027 0.000 1.204 246 Y CB 1.210 39.680 38.460 0.017 0.000 1.135 246 Y HN 0.193 nan 8.280 nan 0.000 0.477 247 P HA -0.017 nan 4.420 nan 0.000 0.267 247 P C -0.555 176.760 177.300 0.026 0.000 1.201 247 P CA -0.113 62.997 63.100 0.017 0.000 0.775 247 P CB 1.096 32.718 31.700 -0.131 0.000 0.854 248 K N 1.034 121.448 120.400 0.024 0.000 2.098 248 K HA 0.476 4.796 4.320 -0.000 0.000 0.244 248 K C 0.164 176.761 176.600 -0.005 0.000 1.014 248 K CA -0.265 56.047 56.287 0.042 0.000 0.917 248 K CB 0.393 32.941 32.500 0.080 0.000 1.072 248 K HN 0.375 nan 8.250 nan 0.000 0.477 249 T N 0.566 115.119 114.554 -0.003 0.000 2.841 249 T HA 0.329 4.678 4.350 -0.000 0.000 0.285 249 T C -0.624 174.035 174.700 -0.069 0.000 0.991 249 T CA -0.655 61.428 62.100 -0.028 0.000 0.966 249 T CB 1.395 70.281 68.868 0.031 0.000 0.962 249 T HN 0.135 nan 8.240 nan 0.000 0.438 250 V N 5.307 125.055 119.914 -0.276 0.000 2.398 250 V HA 0.560 4.680 4.120 -0.000 0.000 0.286 250 V C -0.391 175.504 176.094 -0.332 0.000 1.026 250 V CA -0.911 61.131 62.300 -0.430 0.000 0.868 250 V CB 0.847 32.217 31.823 -0.755 0.000 0.982 250 V HN 0.806 nan 8.190 nan 0.000 0.443 251 W N 5.081 126.254 121.300 -0.212 0.000 2.606 251 W HA 0.868 5.528 4.660 -0.000 0.000 0.332 251 W C -1.279 175.205 176.519 -0.058 0.000 1.052 251 W CA -1.463 55.787 57.345 -0.159 0.000 1.223 251 W CB 1.155 30.555 29.460 -0.100 0.000 1.383 251 W HN 0.325 nan 8.180 nan 0.000 0.524 252 I N 3.933 124.598 120.570 0.158 0.000 2.534 252 I HA 0.224 4.394 4.170 -0.000 0.000 0.288 252 I C -2.256 173.965 176.117 0.174 0.000 1.077 252 I CA -2.438 58.939 61.300 0.129 0.000 1.051 252 I CB 3.056 41.008 38.000 -0.079 0.000 1.234 252 I HN -0.022 nan 8.210 nan 0.000 0.425 253 P HA 0.051 nan 4.420 nan 0.000 0.275 253 P C -1.456 175.952 177.300 0.181 0.000 1.276 253 P CA 0.245 63.483 63.100 0.231 0.000 0.782 253 P CB 0.058 31.928 31.700 0.283 0.000 0.851 254 Y N 6.977 127.264 120.300 -0.022 0.000 2.326 254 Y HA 0.402 4.951 4.550 -0.000 0.000 0.329 254 Y C -2.374 173.519 175.900 -0.012 0.000 0.973 254 Y CA -2.732 55.313 58.100 -0.091 0.000 1.162 254 Y CB 2.429 40.752 38.460 -0.228 0.000 1.147 254 Y HN 0.259 nan 8.280 nan 0.000 0.456 255 P HA 0.235 nan 4.420 nan 0.000 0.291 255 P C -1.308 176.046 177.300 0.089 0.000 1.340 255 P CA -0.366 62.774 63.100 0.067 0.000 0.799 255 P CB 1.395 33.114 31.700 0.032 0.000 0.917 256 K N 2.023 122.569 120.400 0.244 0.000 2.107 256 K HA 0.499 4.819 4.320 -0.000 0.000 0.251 256 K C 0.541 177.259 176.600 0.198 0.000 1.012 256 K CA -0.720 55.740 56.287 0.287 0.000 0.920 256 K CB 0.687 33.374 32.500 0.312 0.000 1.033 256 K HN 0.449 nan 8.250 nan 0.000 0.478 257 A N 1.049 124.015 122.820 0.244 0.000 2.583 257 A HA 0.201 4.521 4.320 -0.000 0.000 0.249 257 A C 1.254 178.898 177.584 0.100 0.000 1.035 257 A CA 1.201 53.367 52.037 0.214 0.000 0.777 257 A CB -1.295 17.927 19.000 0.371 0.000 0.942 257 A HN 0.943 nan 8.150 nan 0.000 0.516 258 G N 1.061 109.901 108.800 0.066 0.000 2.225 258 G HA2 0.115 4.075 3.960 -0.000 0.000 0.254 258 G HA3 0.115 4.075 3.960 -0.000 0.000 0.254 258 G C 0.715 175.632 174.900 0.029 0.000 0.988 258 G CA 0.733 45.843 45.100 0.017 0.000 0.625 258 G HN 2.256 nan 8.290 nan 0.000 0.527 259 A N -0.124 122.729 122.820 0.056 0.000 2.296 259 A HA 0.710 5.029 4.320 -0.000 0.000 0.264 259 A C 0.901 178.513 177.584 0.047 0.000 1.097 259 A CA 0.375 52.446 52.037 0.055 0.000 0.811 259 A CB 0.690 19.739 19.000 0.082 0.000 1.072 259 A HN 1.173 nan 8.150 nan 0.000 0.495 260 V N 2.540 122.481 119.914 0.044 0.000 2.585 260 V HA 0.020 4.139 4.120 -0.000 0.000 0.296 260 V C 0.406 176.532 176.094 0.054 0.000 1.035 260 V CA 0.053 62.376 62.300 0.038 0.000 1.084 260 V CB 0.085 31.932 31.823 0.040 0.000 0.953 260 V HN 0.858 nan 8.190 nan 0.000 0.483 261 N N 6.130 124.856 118.700 0.043 0.000 2.476 261 N HA 0.525 5.265 4.740 -0.000 0.000 0.276 261 N C -2.416 173.155 175.510 0.102 0.000 1.204 261 N CA -1.352 51.741 53.050 0.072 0.000 0.974 261 N CB 1.288 39.803 38.487 0.048 0.000 1.204 261 N HN 0.381 nan 8.380 nan 0.000 0.543 262 P HA 0.130 nan 4.420 nan 0.000 0.274 262 P C -0.497 176.938 177.300 0.226 0.000 1.246 262 P CA -0.124 63.108 63.100 0.219 0.000 0.795 262 P CB 0.412 32.274 31.700 0.270 0.000 1.006 263 T N -1.976 112.700 114.554 0.203 0.000 2.945 263 T HA 0.632 4.982 4.350 -0.000 0.000 0.286 263 T C 0.069 174.873 174.700 0.174 0.000 1.025 263 T CA -0.676 61.501 62.100 0.129 0.000 1.039 263 T CB 0.989 69.900 68.868 0.072 0.000 1.068 263 T HN 0.227 nan 8.240 nan 0.000 0.497 264 V N 0.196 120.172 119.914 0.104 0.000 3.046 264 V HA 0.800 4.920 4.120 -0.000 0.000 0.316 264 V C -0.393 175.717 176.094 0.027 0.000 1.104 264 V CA -1.200 61.114 62.300 0.025 0.000 1.006 264 V CB 1.780 33.687 31.823 0.141 0.000 1.058 264 V HN 1.011 nan 8.190 nan 0.000 0.440 265 K N 0.844 121.197 120.400 -0.079 0.000 2.557 265 K HA 0.545 4.865 4.320 -0.000 0.000 0.261 265 K C -2.080 174.336 176.600 -0.306 0.000 0.932 265 K CA -0.446 55.735 56.287 -0.177 0.000 0.829 265 K CB 2.772 35.149 32.500 -0.205 0.000 1.358 265 K HN 0.562 nan 8.250 nan 0.000 0.430 266 F N 2.672 122.262 119.950 -0.599 0.000 2.508 266 F HA 0.638 5.165 4.527 -0.000 0.000 0.325 266 F C -1.352 173.863 175.800 -0.975 0.000 1.090 266 F CA -0.545 57.104 58.000 -0.584 0.000 0.945 266 F CB 0.882 39.714 39.000 -0.279 0.000 1.156 266 F HN 0.392 nan 8.300 nan 0.000 0.463 267 F N 5.270 124.533 119.950 -1.145 0.000 2.599 267 F HA 0.661 5.187 4.527 -0.000 0.000 0.311 267 F C -0.842 174.363 175.800 -0.991 0.000 1.076 267 F CA -0.929 56.490 58.000 -0.968 0.000 0.937 267 F CB 2.030 40.312 39.000 -1.197 0.000 1.282 267 F HN 0.109 nan 8.300 nan 0.000 0.460 268 I N 2.758 123.161 120.570 -0.280 0.000 2.478 268 I HA 0.462 4.632 4.170 -0.000 0.000 0.287 268 I C -1.361 174.847 176.117 0.153 0.000 1.042 268 I CA -0.963 60.256 61.300 -0.135 0.000 1.067 268 I CB 2.103 39.873 38.000 -0.382 0.000 1.233 268 I HN 0.303 nan 8.210 nan 0.000 0.431 269 V N 6.564 126.623 119.914 0.241 0.000 2.628 269 V HA 0.420 4.540 4.120 -0.000 0.000 0.306 269 V C -0.300 175.979 176.094 0.309 0.000 1.045 269 V CA -0.538 61.915 62.300 0.255 0.000 0.905 269 V CB 2.109 34.035 31.823 0.172 0.000 0.997 269 V HN 0.764 nan 8.190 nan 0.000 0.436 270 N N 3.886 122.758 118.700 0.286 0.000 2.405 270 N HA 0.102 4.841 4.740 -0.000 0.000 0.260 270 N C 0.795 176.319 175.510 0.023 0.000 1.152 270 N CA 0.531 53.677 53.050 0.160 0.000 0.948 270 N CB 1.623 40.193 38.487 0.139 0.000 1.111 270 N HN 0.793 nan 8.380 nan 0.000 0.485 271 T N 2.323 116.863 114.554 -0.023 0.000 2.985 271 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 271 T C 0.757 175.428 174.700 -0.048 0.000 1.076 271 T CA 0.788 62.886 62.100 -0.003 0.000 1.135 271 T CB 0.149 69.099 68.868 0.138 0.000 0.890 271 T HN 0.515 nan 8.240 nan 0.000 0.480 272 D N 1.200 121.543 120.400 -0.094 0.000 2.117 272 D HA -0.076 4.564 4.640 -0.000 0.000 0.198 272 D C 2.470 178.722 176.300 -0.080 0.000 0.982 272 D CA 1.472 55.418 54.000 -0.091 0.000 0.828 272 D CB -0.481 40.250 40.800 -0.114 0.000 0.967 272 D HN 0.520 nan 8.370 nan 0.000 0.464 273 S N 1.079 116.739 115.700 -0.067 0.000 2.419 273 S HA -0.122 4.348 4.470 -0.000 0.000 0.233 273 S C 2.300 176.842 174.600 -0.096 0.000 1.016 273 S CA 0.386 58.553 58.200 -0.055 0.000 0.974 273 S CB -0.840 62.349 63.200 -0.017 0.000 0.786 273 S HN 0.269 nan 8.310 nan 0.000 0.492 274 L N 2.274 123.397 121.223 -0.167 0.000 2.113 274 L HA -0.271 4.069 4.340 -0.000 0.000 0.221 274 L C 2.964 179.625 176.870 -0.349 0.000 1.084 274 L CA 1.949 56.582 54.840 -0.345 0.000 0.787 274 L CB -1.583 40.108 42.059 -0.615 0.000 0.893 274 L HN 0.641 nan 8.230 nan 0.000 0.440 275 S N -1.312 114.254 115.700 -0.223 0.000 2.507 275 S HA -0.076 4.393 4.470 -0.000 0.000 0.235 275 S C 1.600 176.202 174.600 0.003 0.000 0.988 275 S CA 0.794 58.961 58.200 -0.055 0.000 0.944 275 S CB -0.282 62.909 63.200 -0.015 0.000 0.762 275 S HN 0.572 nan 8.310 nan 0.000 0.526 276 S N 0.077 115.767 115.700 -0.017 0.000 2.602 276 S HA 0.390 4.860 4.470 -0.000 0.000 0.240 276 S C 0.126 174.733 174.600 0.011 0.000 0.992 276 S CA -0.500 57.703 58.200 0.005 0.000 0.971 276 S CB 0.035 63.235 63.200 0.000 0.000 0.855 276 S HN 0.432 nan 8.310 nan 0.000 0.481 277 T N 0.387 114.950 114.554 0.015 0.000 2.843 277 T HA 0.443 4.793 4.350 -0.000 0.000 0.302 277 T C 0.964 175.694 174.700 0.050 0.000 1.232 277 T CA -0.245 61.870 62.100 0.024 0.000 1.009 277 T CB 1.495 70.370 68.868 0.012 0.000 1.254 277 T HN 0.165 nan 8.240 nan 0.000 0.504 278 T N -1.584 112.996 114.554 0.043 0.000 2.976 278 T HA 0.225 4.575 4.350 -0.000 0.000 0.257 278 T C 0.642 175.371 174.700 0.048 0.000 1.051 278 T CA 0.441 62.572 62.100 0.052 0.000 1.141 278 T CB -0.009 68.879 68.868 0.032 0.000 0.881 278 T HN 0.610 nan 8.240 nan 0.000 0.461 279 T N 1.536 116.105 114.554 0.025 0.000 2.909 279 T HA 0.585 4.935 4.350 -0.000 0.000 0.299 279 T C -1.012 173.689 174.700 0.001 0.000 1.073 279 T CA -0.623 61.481 62.100 0.006 0.000 0.999 279 T CB 2.217 71.081 68.868 -0.007 0.000 1.098 279 T HN 0.110 nan 8.240 nan 0.000 0.477 280 T N 2.138 116.685 114.554 -0.011 0.000 2.918 280 T HA 0.629 4.978 4.350 -0.000 0.000 0.286 280 T C -0.167 174.536 174.700 0.005 0.000 1.026 280 T CA -0.598 61.503 62.100 0.002 0.000 1.031 280 T CB 0.750 69.616 68.868 -0.002 0.000 1.046 280 T HN 0.420 nan 8.240 nan 0.000 0.479 281 I N 4.650 125.241 120.570 0.035 0.000 2.328 281 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 281 I C -1.830 174.337 176.117 0.083 0.000 1.012 281 I CA -2.208 59.116 61.300 0.040 0.000 1.195 281 I CB 1.432 39.461 38.000 0.050 0.000 1.350 281 I HN 0.358 nan 8.210 nan 0.000 0.464 282 P HA 0.156 nan 4.420 nan 0.000 0.271 282 P C -0.896 176.524 177.300 0.202 0.000 1.216 282 P CA -0.276 62.899 63.100 0.126 0.000 0.771 282 P CB 0.827 32.551 31.700 0.041 0.000 0.864 283 M N 1.396 121.155 119.600 0.264 0.000 2.233 283 M HA 0.399 4.879 4.480 -0.000 0.000 0.355 283 M C 0.237 176.694 176.300 0.262 0.000 1.191 283 M CA -0.676 54.797 55.300 0.288 0.000 1.101 283 M CB 1.127 33.958 32.600 0.386 0.000 1.592 283 M HN 0.341 nan 8.290 nan 0.000 0.461 284 Q N 3.164 123.092 119.800 0.214 0.000 2.256 284 Q HA 0.633 4.972 4.340 -0.000 0.000 0.257 284 Q C -1.704 174.263 176.000 -0.055 0.000 0.936 284 Q CA -0.549 55.232 55.803 -0.036 0.000 0.903 284 Q CB 1.535 30.206 28.738 -0.111 0.000 1.263 284 Q HN 0.869 nan 8.270 nan 0.000 0.440 285 I N 3.498 124.004 120.570 -0.106 0.000 2.359 285 I HA 0.282 4.452 4.170 -0.000 0.000 0.294 285 I C 0.044 176.110 176.117 -0.084 0.000 0.987 285 I CA -0.792 60.493 61.300 -0.025 0.000 1.225 285 I CB 1.802 39.822 38.000 0.033 0.000 1.366 285 I HN 0.742 nan 8.210 nan 0.000 0.466 286 T N 2.888 117.365 114.554 -0.129 0.000 2.867 286 T HA 0.700 5.050 4.350 -0.000 0.000 0.282 286 T C 0.146 174.594 174.700 -0.421 0.000 1.000 286 T CA -0.841 61.120 62.100 -0.232 0.000 1.042 286 T CB 1.678 70.434 68.868 -0.187 0.000 0.973 286 T HN 0.656 nan 8.240 nan 0.000 0.465 287 A N 4.769 127.116 122.820 -0.788 0.000 2.507 287 A HA 0.466 4.786 4.320 -0.000 0.000 0.235 287 A C -1.673 175.401 177.584 -0.850 0.000 1.070 287 A CA -1.119 50.041 52.037 -1.462 0.000 0.768 287 A CB -0.836 17.005 19.000 -1.932 0.000 1.011 287 A HN 0.828 nan 8.150 nan 0.000 0.502 288 P HA 0.071 nan 4.420 nan 0.000 0.266 288 P C 0.834 177.931 177.300 -0.338 0.000 1.193 288 P CA 0.719 63.580 63.100 -0.400 0.000 0.770 288 P CB 0.633 32.179 31.700 -0.257 0.000 0.836 289 A N 3.610 126.296 122.820 -0.223 0.000 1.892 289 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 289 A C 2.111 179.585 177.584 -0.182 0.000 1.188 289 A CA 2.514 54.438 52.037 -0.188 0.000 0.631 289 A CB -1.790 17.132 19.000 -0.130 0.000 0.822 289 A HN 0.674 nan 8.150 nan 0.000 0.447 290 S N -1.284 114.336 115.700 -0.134 0.000 2.641 290 S HA 0.084 4.553 4.470 -0.000 0.000 0.239 290 S C 1.033 175.528 174.600 -0.175 0.000 0.972 290 S CA 1.110 59.227 58.200 -0.139 0.000 0.954 290 S CB -0.023 63.161 63.200 -0.026 0.000 0.767 290 S HN 0.292 nan 8.310 nan 0.000 0.539 291 V N 0.158 119.945 119.914 -0.212 0.000 3.480 291 V HA 0.076 4.196 4.120 -0.000 0.000 0.263 291 V C 2.020 177.854 176.094 -0.434 0.000 1.442 291 V CA 0.974 63.122 62.300 -0.253 0.000 1.053 291 V CB 0.092 31.762 31.823 -0.254 0.000 0.846 291 V HN 0.466 nan 8.190 nan 0.000 0.440 292 T N 0.321 114.611 114.554 -0.440 0.000 3.055 292 T HA -0.108 4.242 4.350 -0.000 0.000 0.265 292 T C 1.861 176.473 174.700 -0.147 0.000 1.111 292 T CA 1.647 63.526 62.100 -0.370 0.000 1.118 292 T CB -0.155 68.529 68.868 -0.308 0.000 0.909 292 T HN 0.500 nan 8.240 nan 0.000 0.501 293 T N 0.775 115.249 114.554 -0.133 0.000 2.803 293 T HA 0.102 4.452 4.350 -0.000 0.000 0.269 293 T C 1.171 175.848 174.700 -0.039 0.000 1.052 293 T CA 1.126 63.176 62.100 -0.082 0.000 1.136 293 T CB -0.123 68.689 68.868 -0.095 0.000 0.864 293 T HN 0.566 nan 8.240 nan 0.000 0.467 294 G N -0.045 108.749 108.800 -0.009 0.000 2.815 294 G HA2 0.466 4.425 3.960 -0.000 0.000 0.305 294 G HA3 0.466 4.425 3.960 -0.000 0.000 0.305 294 G C -1.915 173.044 174.900 0.098 0.000 1.277 294 G CA -0.828 44.285 45.100 0.022 0.000 0.795 294 G HN -0.003 nan 8.290 nan 0.000 0.528 295 D N 1.469 121.876 120.400 0.012 0.000 2.525 295 D HA 0.288 4.928 4.640 -0.000 0.000 0.235 295 D C 0.274 176.530 176.300 -0.073 0.000 1.137 295 D CA 0.982 54.933 54.000 -0.082 0.000 0.868 295 D CB 0.299 41.011 40.800 -0.147 0.000 1.180 295 D HN 0.569 nan 8.370 nan 0.000 0.465 296 H N -0.699 118.218 119.070 -0.256 0.000 2.948 296 H HA 0.447 5.002 4.556 -0.000 0.000 0.315 296 H C -1.363 173.805 175.328 -0.267 0.000 1.360 296 H CA -0.836 55.070 56.048 -0.236 0.000 1.125 296 H CB 0.471 30.233 29.762 0.001 0.000 1.844 296 H HN 0.356 nan 8.280 nan 0.000 0.529 297 Y N -0.133 120.359 120.300 0.321 0.000 2.576 297 Y HA 0.414 4.964 4.550 -0.000 0.000 0.346 297 Y C -0.460 175.657 175.900 0.362 0.000 1.018 297 Y CA -1.275 56.996 58.100 0.285 0.000 1.050 297 Y CB 2.169 40.636 38.460 0.011 0.000 1.280 297 Y HN 0.432 nan 8.280 nan 0.000 0.474 298 L N 1.189 122.713 121.223 0.501 0.000 2.260 298 L HA 0.391 4.730 4.340 -0.000 0.000 0.289 298 L C -0.075 176.748 176.870 -0.079 0.000 1.057 298 L CA 0.121 54.945 54.840 -0.027 0.000 0.811 298 L CB 0.711 42.747 42.059 -0.039 0.000 1.184 298 L HN 1.008 nan 8.230 nan 0.000 0.429 299 C N 2.984 122.130 119.300 -0.257 0.000 2.544 299 C HA 0.238 4.698 4.460 -0.000 0.000 0.280 299 C C 0.586 175.443 174.990 -0.221 0.000 1.295 299 C CA 0.651 59.517 59.018 -0.254 0.000 1.702 299 C CB -0.630 27.004 27.740 -0.177 0.000 2.090 299 C HN 1.002 nan 8.230 nan 0.000 0.493 300 D N -2.033 118.236 120.400 -0.220 0.000 2.706 300 D HA 0.463 5.103 4.640 -0.000 0.000 0.225 300 D C -1.530 174.522 176.300 -0.415 0.000 1.241 300 D CA -0.255 53.673 54.000 -0.121 0.000 0.784 300 D CB 1.407 42.136 40.800 -0.119 0.000 1.521 300 D HN -0.044 nan 8.370 nan 0.000 0.461 301 V N 1.187 120.785 119.914 -0.527 0.000 2.604 301 V HA 0.956 5.075 4.120 -0.000 0.000 0.305 301 V C -0.494 175.211 176.094 -0.648 0.000 1.043 301 V CA -0.458 61.265 62.300 -0.960 0.000 0.888 301 V CB 1.401 32.017 31.823 -2.010 0.000 0.995 301 V HN 0.866 nan 8.190 nan 0.000 0.429 302 A N 3.605 126.077 122.820 -0.581 0.000 2.509 302 A HA 0.592 4.912 4.320 -0.000 0.000 0.282 302 A C -1.499 175.900 177.584 -0.307 0.000 1.054 302 A CA -0.592 51.268 52.037 -0.295 0.000 0.820 302 A CB 0.527 19.417 19.000 -0.183 0.000 1.333 302 A HN 0.753 nan 8.150 nan 0.000 0.409 303 W N 2.902 124.139 121.300 -0.105 0.000 2.303 303 W HA 0.365 5.025 4.660 -0.000 0.000 0.318 303 W C 1.079 177.525 176.519 -0.121 0.000 1.362 303 W CA 0.229 57.526 57.345 -0.081 0.000 1.234 303 W CB 1.100 30.592 29.460 0.053 0.000 1.248 303 W HN 0.503 nan 8.180 nan 0.000 0.546 304 V N 2.375 122.274 119.914 -0.025 0.000 2.326 304 V HA -0.061 4.058 4.120 -0.000 0.000 0.237 304 V C 1.110 177.244 176.094 0.066 0.000 1.044 304 V CA 1.699 63.869 62.300 -0.216 0.000 1.035 304 V CB -0.376 31.050 31.823 -0.662 0.000 0.675 304 V HN 0.618 nan 8.190 nan 0.000 0.470 305 S N -1.252 114.539 115.700 0.152 0.000 2.921 305 S HA 0.349 4.819 4.470 -0.000 0.000 0.315 305 S C 0.519 175.307 174.600 0.313 0.000 1.087 305 S CA -0.283 58.035 58.200 0.198 0.000 0.877 305 S CB 1.642 64.937 63.200 0.159 0.000 1.340 305 S HN 0.281 nan 8.310 nan 0.000 0.622 306 E N -0.310 120.048 120.200 0.263 0.000 2.465 306 E HA 0.121 4.471 4.350 -0.000 0.000 0.191 306 E C -0.419 176.485 176.600 0.507 0.000 1.053 306 E CA 0.153 56.741 56.400 0.314 0.000 0.869 306 E CB 0.062 29.867 29.700 0.175 0.000 0.977 306 E HN 0.508 nan 8.360 nan 0.000 0.483 307 D N 0.088 120.754 120.400 0.443 0.000 2.556 307 D HA 0.104 4.744 4.640 -0.000 0.000 0.237 307 D C -0.311 176.242 176.300 0.422 0.000 1.296 307 D CA -0.002 54.225 54.000 0.379 0.000 0.807 307 D CB 0.815 41.757 40.800 0.237 0.000 1.084 307 D HN -0.044 nan 8.370 nan 0.000 0.510 308 R N 1.106 121.900 120.500 0.490 0.000 2.564 308 R HA 0.582 4.921 4.340 -0.000 0.000 0.284 308 R C -1.874 174.497 176.300 0.119 0.000 1.031 308 R CA -0.507 55.765 56.100 0.286 0.000 0.904 308 R CB 1.945 32.292 30.300 0.079 0.000 1.199 308 R HN -0.038 nan 8.270 nan 0.000 0.443 309 I N 2.041 122.511 120.570 -0.166 0.000 2.730 309 I HA 0.410 4.580 4.170 -0.000 0.000 0.298 309 I C -1.170 174.631 176.117 -0.526 0.000 1.089 309 I CA -0.508 60.426 61.300 -0.610 0.000 1.041 309 I CB 2.391 39.644 38.000 -1.246 0.000 1.235 309 I HN 0.669 nan 8.210 nan 0.000 0.423 310 S N 7.513 122.868 115.700 -0.575 0.000 2.456 310 S HA 0.695 5.165 4.470 -0.000 0.000 0.316 310 S C -1.176 173.097 174.600 -0.544 0.000 1.089 310 S CA -0.577 57.350 58.200 -0.455 0.000 1.101 310 S CB 0.647 63.649 63.200 -0.330 0.000 0.995 310 S HN 0.508 nan 8.310 nan 0.000 0.468 311 L N 4.312 125.240 121.223 -0.491 0.000 2.365 311 L HA 0.569 4.909 4.340 -0.000 0.000 0.273 311 L C -0.188 176.391 176.870 -0.485 0.000 1.000 311 L CA -0.638 53.817 54.840 -0.642 0.000 0.819 311 L CB 2.085 43.709 42.059 -0.725 0.000 1.284 311 L HN 0.595 nan 8.230 nan 0.000 0.418 312 Q N 2.085 121.525 119.800 -0.600 0.000 2.316 312 Q HA 0.414 4.754 4.340 -0.000 0.000 0.264 312 Q C -1.711 173.990 176.000 -0.498 0.000 0.987 312 Q CA -0.583 54.993 55.803 -0.378 0.000 0.852 312 Q CB 2.463 31.046 28.738 -0.258 0.000 1.287 312 Q HN 0.445 nan 8.270 nan 0.000 0.448 313 W N 2.231 123.484 121.300 -0.078 0.000 2.706 313 W HA 0.629 5.289 4.660 -0.000 0.000 0.346 313 W C -0.852 175.697 176.519 0.050 0.000 1.071 313 W CA -0.614 56.734 57.345 0.005 0.000 1.206 313 W CB 1.079 30.532 29.460 -0.012 0.000 1.413 313 W HN 0.369 nan 8.180 nan 0.000 0.542 314 L N 2.236 123.685 121.223 0.377 0.000 2.408 314 L HA 0.559 4.899 4.340 -0.000 0.000 0.268 314 L C -0.096 176.986 176.870 0.352 0.000 0.986 314 L CA -1.146 53.879 54.840 0.308 0.000 0.820 314 L CB 1.534 43.739 42.059 0.244 0.000 1.303 314 L HN 0.410 nan 8.230 nan 0.000 0.411 315 R N 2.005 122.678 120.500 0.289 0.000 2.615 315 R HA 0.277 4.616 4.340 -0.000 0.000 0.270 315 R C 0.967 177.363 176.300 0.161 0.000 1.081 315 R CA -0.298 55.920 56.100 0.196 0.000 1.154 315 R CB 0.556 30.948 30.300 0.154 0.000 1.063 315 R HN 0.593 nan 8.270 nan 0.000 0.519 316 R N 0.967 121.477 120.500 0.015 0.000 2.127 316 R HA -0.057 4.283 4.340 -0.000 0.000 0.238 316 R C 0.293 176.670 176.300 0.129 0.000 1.134 316 R CA 1.147 57.248 56.100 0.001 0.000 0.975 316 R CB 0.219 30.452 30.300 -0.112 0.000 0.865 316 R HN 0.373 nan 8.270 nan 0.000 0.447 317 I N 2.693 123.313 120.570 0.085 0.000 2.282 317 I HA 0.044 4.213 4.170 -0.000 0.000 0.290 317 I C 0.205 176.382 176.117 0.101 0.000 1.090 317 I CA 0.085 61.426 61.300 0.069 0.000 1.231 317 I CB 1.084 39.111 38.000 0.044 0.000 1.434 317 I HN 0.260 nan 8.210 nan 0.000 0.487 318 Q N 3.297 123.153 119.800 0.093 0.000 2.536 318 Q HA -0.114 4.226 4.340 -0.000 0.000 0.207 318 Q C 1.377 177.450 176.000 0.121 0.000 0.940 318 Q CA 0.241 56.109 55.803 0.109 0.000 1.020 318 Q CB -0.505 28.258 28.738 0.042 0.000 1.019 318 Q HN 0.590 nan 8.270 nan 0.000 0.554 319 N N -0.395 118.377 118.700 0.120 0.000 2.171 319 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 319 N C -0.220 175.389 175.510 0.165 0.000 1.021 319 N CA 0.462 53.578 53.050 0.111 0.000 0.854 319 N CB 0.304 38.850 38.487 0.099 0.000 0.994 319 N HN 0.239 nan 8.380 nan 0.000 0.426 320 Y N -0.024 120.302 120.300 0.042 0.000 2.468 320 Y HA 0.462 5.012 4.550 -0.000 0.000 0.342 320 Y C -0.871 175.067 175.900 0.064 0.000 1.021 320 Y CA -0.668 57.458 58.100 0.044 0.000 1.079 320 Y CB 1.824 40.302 38.460 0.030 0.000 1.226 320 Y HN -0.262 nan 8.280 nan 0.000 0.460 321 S N 3.770 119.239 115.700 -0.385 0.000 2.533 321 S HA 0.786 5.256 4.470 -0.000 0.000 0.271 321 S C -2.330 172.052 174.600 -0.363 0.000 1.143 321 S CA -0.552 57.526 58.200 -0.202 0.000 0.891 321 S CB 1.145 64.299 63.200 -0.077 0.000 1.105 321 S HN 0.545 nan 8.310 nan 0.000 0.468 322 V N 4.991 124.844 119.914 -0.102 0.000 2.709 322 V HA 0.596 4.716 4.120 -0.000 0.000 0.308 322 V C -0.403 175.720 176.094 0.048 0.000 1.062 322 V CA -0.662 61.610 62.300 -0.048 0.000 0.901 322 V CB 1.983 33.833 31.823 0.046 0.000 1.003 322 V HN 0.937 nan 8.190 nan 0.000 0.425 323 M N 4.649 124.255 119.600 0.010 0.000 2.023 323 M HA 0.720 5.199 4.480 -0.000 0.000 0.325 323 M C -0.306 176.007 176.300 0.022 0.000 0.963 323 M CA -0.502 54.777 55.300 -0.036 0.000 0.928 323 M CB 0.900 33.405 32.600 -0.160 0.000 1.429 323 M HN 0.797 nan 8.290 nan 0.000 0.404 324 A N 5.964 128.809 122.820 0.042 0.000 2.309 324 A HA 0.696 5.016 4.320 -0.000 0.000 0.298 324 A C -0.624 176.939 177.584 -0.035 0.000 1.165 324 A CA -0.614 51.441 52.037 0.031 0.000 0.821 324 A CB 0.482 19.513 19.000 0.051 0.000 1.102 324 A HN 0.923 nan 8.150 nan 0.000 0.500 325 I N 1.859 122.432 120.570 0.006 0.000 2.339 325 I HA 0.276 4.445 4.170 -0.000 0.000 0.290 325 I C -0.627 175.484 176.117 -0.009 0.000 0.994 325 I CA -0.294 60.992 61.300 -0.023 0.000 1.191 325 I CB 1.265 39.315 38.000 0.083 0.000 1.343 325 I HN 0.544 nan 8.210 nan 0.000 0.458 326 c N 4.376 122.957 118.600 -0.032 0.000 2.456 326 c HA 0.494 5.063 4.570 -0.000 0.000 0.325 326 c C -0.275 173.943 174.090 0.214 0.000 1.217 326 c CA -0.819 55.560 56.329 0.083 0.000 1.687 326 c CB 1.304 43.865 42.510 0.085 0.000 2.270 326 c HN 0.613 nan 8.230 nan 0.000 0.499 327 D N 0.381 120.899 120.400 0.197 0.000 2.248 327 D HA 0.240 4.879 4.640 -0.000 0.000 0.246 327 D C -0.992 175.277 176.300 -0.052 0.000 1.027 327 D CA -0.170 53.907 54.000 0.128 0.000 0.853 327 D CB 1.752 42.575 40.800 0.038 0.000 1.243 327 D HN 0.609 nan 8.370 nan 0.000 0.462 328 Y N 1.645 121.626 120.300 -0.531 0.000 2.336 328 Y HA 0.121 4.671 4.550 -0.000 0.000 0.335 328 Y C -0.086 175.518 175.900 -0.492 0.000 1.046 328 Y CA -0.370 57.076 58.100 -1.090 0.000 1.198 328 Y CB 0.739 38.359 38.460 -1.400 0.000 1.182 328 Y HN 0.139 nan 8.280 nan 0.000 0.502 329 D N 5.875 125.639 120.400 -1.059 0.000 2.359 329 D HA 0.140 4.780 4.640 -0.000 0.000 0.230 329 D C 0.262 175.990 176.300 -0.953 0.000 1.118 329 D CA -0.133 53.437 54.000 -0.715 0.000 0.844 329 D CB 1.152 41.689 40.800 -0.439 0.000 1.059 329 D HN 0.761 nan 8.370 nan 0.000 0.493 330 K N 1.589 121.655 120.400 -0.555 0.000 2.057 330 K HA -0.095 4.224 4.320 -0.000 0.000 0.207 330 K C 1.794 178.273 176.600 -0.202 0.000 1.049 330 K CA 1.202 57.309 56.287 -0.300 0.000 0.931 330 K CB 0.045 32.511 32.500 -0.057 0.000 0.714 330 K HN 0.367 nan 8.250 nan 0.000 0.440 331 T N 0.938 115.387 114.554 -0.174 0.000 2.569 331 T HA -0.119 4.231 4.350 -0.000 0.000 0.263 331 T C 1.781 176.414 174.700 -0.112 0.000 1.074 331 T CA 1.967 64.001 62.100 -0.109 0.000 1.176 331 T CB -0.369 68.445 68.868 -0.089 0.000 0.863 331 T HN 0.268 nan 8.240 nan 0.000 0.410 332 T N 2.060 116.526 114.554 -0.146 0.000 3.148 332 T HA 0.281 4.631 4.350 -0.000 0.000 0.253 332 T C 0.729 175.357 174.700 -0.121 0.000 1.134 332 T CA -0.061 61.973 62.100 -0.111 0.000 1.051 332 T CB -0.660 68.150 68.868 -0.097 0.000 0.959 332 T HN 0.364 nan 8.240 nan 0.000 0.525 333 L N 0.859 121.956 121.223 -0.211 0.000 3.823 333 L HA -0.153 4.187 4.340 -0.000 0.000 0.525 333 L C -0.562 176.258 176.870 -0.083 0.000 1.247 333 L CA -0.225 54.525 54.840 -0.150 0.000 0.776 333 L CB -1.847 40.261 42.059 0.081 0.000 1.443 333 L HN 0.143 nan 8.230 nan 0.000 0.831 334 V N -1.099 118.633 119.914 -0.303 0.000 3.147 334 V HA 0.501 4.621 4.120 -0.000 0.000 0.306 334 V C -0.702 175.237 176.094 -0.259 0.000 1.209 334 V CA -0.774 61.461 62.300 -0.108 0.000 1.023 334 V CB 2.403 34.193 31.823 -0.056 0.000 1.059 334 V HN 0.288 nan 8.190 nan 0.000 0.435 335 W N 2.581 123.895 121.300 0.024 0.000 2.433 335 W HA 0.577 5.236 4.660 -0.001 0.000 0.315 335 W C 0.111 176.613 176.519 -0.028 0.000 1.087 335 W CA -0.292 57.063 57.345 0.016 0.000 1.205 335 W CB 0.915 30.388 29.460 0.022 0.000 1.288 335 W HN 0.404 nan 8.180 nan 0.000 0.504 336 N N 2.489 121.263 118.700 0.123 0.000 2.362 336 N HA 0.393 5.133 4.740 -0.000 0.000 0.298 336 N C -1.347 174.204 175.510 0.069 0.000 1.048 336 N CA -0.504 52.581 53.050 0.058 0.000 0.858 336 N CB 1.746 40.229 38.487 -0.007 0.000 1.218 336 N HN 0.266 nan 8.380 nan 0.000 0.488 337 c N 2.620 121.239 118.600 0.032 0.000 2.955 337 c HA 0.297 4.867 4.570 -0.000 0.000 0.262 337 c C -1.969 172.113 174.090 -0.012 0.000 1.279 337 c CA -1.449 54.887 56.329 0.011 0.000 1.615 337 c CB -0.475 42.029 42.510 -0.010 0.000 1.755 337 c HN 0.528 nan 8.230 nan 0.000 0.452 338 P HA 0.069 nan 4.420 nan 0.000 0.265 338 P C 1.073 178.358 177.300 -0.026 0.000 1.193 338 P CA 0.653 63.742 63.100 -0.018 0.000 0.765 338 P CB 0.776 32.469 31.700 -0.010 0.000 0.823 339 T N -0.802 113.731 114.554 -0.035 0.000 2.946 339 T HA -0.139 4.211 4.350 -0.000 0.000 0.271 339 T C 1.370 176.041 174.700 -0.050 0.000 1.104 339 T CA 1.645 63.721 62.100 -0.041 0.000 1.114 339 T CB -1.338 67.507 68.868 -0.039 0.000 0.867 339 T HN 0.418 nan 8.240 nan 0.000 0.513 340 T N 2.008 116.536 114.554 -0.043 0.000 2.962 340 T HA -0.047 4.302 4.350 -0.000 0.000 0.270 340 T C 1.395 176.044 174.700 -0.086 0.000 1.088 340 T CA 0.889 62.957 62.100 -0.052 0.000 1.127 340 T CB -0.233 68.618 68.868 -0.028 0.000 0.883 340 T HN 0.593 nan 8.240 nan 0.000 0.493 341 Q N -0.106 119.654 119.800 -0.066 0.000 2.206 341 Q HA 0.283 4.623 4.340 -0.000 0.000 0.265 341 Q C 1.143 177.101 176.000 -0.069 0.000 0.866 341 Q CA -0.224 55.543 55.803 -0.059 0.000 1.073 341 Q CB 0.626 29.393 28.738 0.048 0.000 1.165 341 Q HN 0.322 nan 8.270 nan 0.000 0.465 342 E N 0.524 120.644 120.200 -0.132 0.000 2.008 342 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 342 E C -0.537 176.071 176.600 0.014 0.000 0.986 342 E CA 0.896 57.263 56.400 -0.054 0.000 0.807 342 E CB 0.305 29.980 29.700 -0.042 0.000 0.766 342 E HN 0.265 nan 8.360 nan 0.000 0.450 343 H N -0.721 118.367 119.070 0.030 0.000 3.665 343 H HA -0.145 4.410 4.556 -0.000 0.000 0.316 343 H C -0.775 174.527 175.328 -0.043 0.000 0.870 343 H CA 0.858 56.918 56.048 0.020 0.000 0.947 343 H CB -1.631 28.134 29.762 0.005 0.000 1.453 343 H HN 0.186 nan 8.280 nan 0.000 0.339 344 I N 2.695 123.303 120.570 0.063 0.000 2.412 344 I HA 0.267 4.437 4.170 -0.000 0.000 0.296 344 I C 0.694 176.761 176.117 -0.084 0.000 0.987 344 I CA -0.279 60.962 61.300 -0.099 0.000 1.180 344 I CB 2.017 39.955 38.000 -0.105 0.000 1.340 344 I HN 0.407 nan 8.210 nan 0.000 0.455 345 E N 3.732 123.817 120.200 -0.190 0.000 2.210 345 E HA 0.548 4.898 4.350 -0.000 0.000 0.266 345 E C -1.297 175.226 176.600 -0.127 0.000 0.883 345 E CA -0.349 55.995 56.400 -0.093 0.000 0.761 345 E CB 2.004 31.668 29.700 -0.060 0.000 1.156 345 E HN 0.552 nan 8.360 nan 0.000 0.412 346 T N 1.379 115.911 114.554 -0.036 0.000 2.865 346 T HA 0.525 4.875 4.350 -0.000 0.000 0.294 346 T C -1.580 173.129 174.700 0.015 0.000 1.119 346 T CA -0.626 61.475 62.100 0.002 0.000 1.007 346 T CB 1.722 70.615 68.868 0.042 0.000 1.225 346 T HN 0.284 nan 8.240 nan 0.000 0.515 347 S N 0.211 115.923 115.700 0.019 0.000 2.689 347 S HA 0.595 5.065 4.470 -0.000 0.000 0.274 347 S C 0.163 174.755 174.600 -0.013 0.000 1.176 347 S CA -0.114 58.082 58.200 -0.006 0.000 1.014 347 S CB 0.800 63.973 63.200 -0.046 0.000 1.071 347 S HN 0.844 nan 8.310 nan 0.000 0.478 348 A N 3.474 126.290 122.820 -0.007 0.000 2.308 348 A HA 0.282 4.602 4.320 -0.000 0.000 0.217 348 A C 1.395 178.965 177.584 -0.023 0.000 1.216 348 A CA 0.730 52.763 52.037 -0.007 0.000 0.864 348 A CB -0.300 18.702 19.000 0.004 0.000 0.902 348 A HN 0.743 nan 8.150 nan 0.000 0.499 349 T N -1.711 112.820 114.554 -0.038 0.000 3.042 349 T HA 0.435 4.784 4.350 -0.000 0.000 0.245 349 T C 1.207 175.745 174.700 -0.269 0.000 1.029 349 T CA 0.904 62.984 62.100 -0.034 0.000 1.120 349 T CB 0.475 69.453 68.868 0.184 0.000 0.917 349 T HN 0.564 nan 8.240 nan 0.000 0.467 350 G N 0.306 108.756 108.800 -0.583 0.000 3.206 350 G HA2 0.464 4.424 3.960 -0.000 0.000 0.146 350 G HA3 0.464 4.424 3.960 -0.000 0.000 0.146 350 G C -1.629 173.026 174.900 -0.408 0.000 1.214 350 G CA -0.381 44.253 45.100 -0.776 0.000 1.297 350 G HN 0.424 nan 8.290 nan 0.000 0.659 351 W N -0.501 120.511 121.300 -0.479 0.000 2.594 351 W HA 0.762 5.422 4.660 -0.001 0.000 0.365 351 W C -0.494 175.983 176.519 -0.070 0.000 1.196 351 W CA -1.373 55.844 57.345 -0.212 0.000 1.258 351 W CB 0.638 29.953 29.460 -0.241 0.000 1.405 351 W HN 0.410 nan 8.180 nan 0.000 0.640 352 C N 2.949 122.353 119.300 0.172 0.000 2.369 352 C HA 0.758 5.218 4.460 -0.000 0.000 0.358 352 C C 1.081 176.177 174.990 0.177 0.000 1.274 352 C CA 1.076 60.153 59.018 0.098 0.000 1.935 352 C CB -0.565 27.218 27.740 0.072 0.000 2.431 352 C HN 1.192 nan 8.230 nan 0.000 0.545 353 G N 4.419 113.276 108.800 0.095 0.000 2.796 353 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.226 353 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.226 353 G C 0.539 175.568 174.900 0.215 0.000 1.381 353 G CA -0.094 45.086 45.100 0.133 0.000 0.867 353 G HN 0.770 nan 8.290 nan 0.000 0.552 354 R N -1.168 119.473 120.500 0.234 0.000 2.057 354 R HA 0.139 4.479 4.340 -0.000 0.000 0.229 354 R C 1.765 178.225 176.300 0.267 0.000 1.136 354 R CA 1.983 58.240 56.100 0.263 0.000 0.952 354 R CB -0.063 30.412 30.300 0.293 0.000 0.848 354 R HN 0.442 nan 8.270 nan 0.000 0.430 355 F N -0.377 119.696 119.950 0.206 0.000 2.856 355 F HA 0.299 4.826 4.527 -0.000 0.000 0.338 355 F C 0.084 175.904 175.800 0.033 0.000 1.100 355 F CA -0.450 57.620 58.000 0.116 0.000 1.150 355 F CB 0.757 39.826 39.000 0.115 0.000 1.101 355 F HN -0.048 nan 8.300 nan 0.000 0.548 356 R N -1.742 118.896 120.500 0.230 0.000 3.529 356 R HA 0.164 4.504 4.340 -0.000 0.000 0.278 356 R C -3.441 172.922 176.300 0.105 0.000 0.963 356 R CA -1.356 54.808 56.100 0.107 0.000 0.863 356 R CB -0.568 29.743 30.300 0.018 0.000 1.335 356 R HN -0.310 nan 8.270 nan 0.000 0.543 357 P HA -0.006 nan 4.420 nan 0.000 0.263 357 P C -0.349 176.982 177.300 0.052 0.000 1.168 357 P CA 0.850 63.973 63.100 0.038 0.000 0.759 357 P CB 0.504 32.196 31.700 -0.014 0.000 0.782 358 A N 2.800 125.664 122.820 0.074 0.000 2.366 358 A HA 0.134 4.453 4.320 -0.000 0.000 0.250 358 A C 0.359 177.985 177.584 0.069 0.000 1.099 358 A CA -0.190 51.910 52.037 0.105 0.000 0.794 358 A CB -0.051 19.031 19.000 0.137 0.000 1.056 358 A HN 0.580 nan 8.150 nan 0.000 0.499 359 E N 0.636 120.897 120.200 0.102 0.000 2.249 359 E HA 0.375 4.725 4.350 -0.000 0.000 0.280 359 E C -2.349 174.260 176.600 0.015 0.000 1.016 359 E CA -2.108 54.307 56.400 0.026 0.000 0.830 359 E CB 0.906 30.619 29.700 0.021 0.000 1.081 359 E HN 0.462 nan 8.360 nan 0.000 0.395 360 P HA 0.102 nan 4.420 nan 0.000 0.277 360 P C -1.146 176.061 177.300 -0.155 0.000 1.240 360 P CA -0.024 63.008 63.100 -0.113 0.000 0.798 360 P CB 0.774 32.206 31.700 -0.445 0.000 0.979 361 H N 1.796 120.940 119.070 0.123 0.000 2.970 361 H HA 0.294 4.850 4.556 -0.000 0.000 0.315 361 H C -0.383 175.096 175.328 0.252 0.000 0.992 361 H CA -0.292 55.897 56.048 0.235 0.000 1.363 361 H CB 0.360 30.267 29.762 0.242 0.000 1.532 361 H HN 0.294 nan 8.280 nan 0.000 0.514 362 F N 1.690 121.818 119.950 0.297 0.000 2.371 362 F HA 0.109 4.635 4.527 -0.000 0.000 0.329 362 F C 1.677 177.660 175.800 0.304 0.000 1.107 362 F CA -0.359 57.824 58.000 0.304 0.000 1.137 362 F CB 1.055 40.165 39.000 0.183 0.000 1.214 362 F HN 0.368 nan 8.300 nan 0.000 0.536 363 T N -1.907 112.933 114.554 0.476 0.000 2.698 363 T HA 0.074 4.423 4.350 -0.000 0.000 0.295 363 T C 1.347 176.232 174.700 0.308 0.000 1.007 363 T CA -0.242 62.075 62.100 0.361 0.000 0.980 363 T CB 0.950 70.003 68.868 0.309 0.000 1.036 363 T HN 0.546 nan 8.240 nan 0.000 0.526 364 S N 0.864 116.702 115.700 0.231 0.000 2.359 364 S HA -0.158 4.312 4.470 -0.000 0.000 0.223 364 S C 1.581 176.289 174.600 0.181 0.000 1.039 364 S CA 1.740 60.052 58.200 0.187 0.000 1.042 364 S CB -0.954 62.332 63.200 0.143 0.000 0.915 364 S HN 0.934 nan 8.310 nan 0.000 0.439 365 D N -0.168 120.339 120.400 0.177 0.000 2.324 365 D HA 0.141 4.781 4.640 -0.000 0.000 0.235 365 D C 1.132 177.550 176.300 0.197 0.000 1.095 365 D CA 0.762 54.859 54.000 0.161 0.000 0.871 365 D CB -1.059 39.823 40.800 0.137 0.000 0.906 365 D HN 0.469 nan 8.370 nan 0.000 0.522 366 G N 1.289 110.249 108.800 0.266 0.000 2.402 366 G HA2 -0.389 3.570 3.960 -0.000 0.000 0.300 366 G HA3 -0.389 3.570 3.960 -0.000 0.000 0.300 366 G C 1.058 176.199 174.900 0.402 0.000 0.987 366 G CA 1.085 46.409 45.100 0.373 0.000 0.881 366 G HN 0.556 nan 8.290 nan 0.000 0.512 367 S N -2.052 113.834 115.700 0.311 0.000 2.458 367 S HA 0.464 4.934 4.470 -0.000 0.000 0.223 367 S C 1.035 175.786 174.600 0.252 0.000 1.019 367 S CA 1.028 59.376 58.200 0.246 0.000 0.937 367 S CB 0.478 63.775 63.200 0.163 0.000 0.788 367 S HN 0.764 nan 8.310 nan 0.000 0.511 368 S N 0.561 116.407 115.700 0.245 0.000 2.661 368 S HA 0.814 5.284 4.470 -0.000 0.000 0.285 368 S C -1.166 173.448 174.600 0.023 0.000 1.138 368 S CA -0.958 57.275 58.200 0.055 0.000 0.855 368 S CB 1.708 64.852 63.200 -0.093 0.000 1.136 368 S HN 0.589 nan 8.310 nan 0.000 0.484 369 F N -0.941 118.757 119.950 -0.420 0.000 2.641 369 F HA 0.763 5.289 4.527 -0.001 0.000 0.308 369 F C -2.120 173.440 175.800 -0.400 0.000 1.105 369 F CA -1.297 56.374 58.000 -0.548 0.000 0.964 369 F CB 0.567 38.715 39.000 -1.419 0.000 1.294 369 F HN 0.465 nan 8.300 nan 0.000 0.442 370 Y N 1.893 122.254 120.300 0.102 0.000 2.342 370 Y HA 0.682 5.231 4.550 -0.000 0.000 0.334 370 Y C -0.038 176.000 175.900 0.231 0.000 1.067 370 Y CA -0.847 57.305 58.100 0.088 0.000 1.128 370 Y CB 1.873 40.356 38.460 0.038 0.000 1.200 370 Y HN 0.751 nan 8.280 nan 0.000 0.464 371 K N 2.869 123.472 120.400 0.338 0.000 2.527 371 K HA 0.543 4.863 4.320 -0.000 0.000 0.260 371 K C -1.623 175.113 176.600 0.226 0.000 0.937 371 K CA -0.629 55.845 56.287 0.313 0.000 0.826 371 K CB 1.673 34.345 32.500 0.287 0.000 1.359 371 K HN 0.718 nan 8.250 nan 0.000 0.434 372 I N 4.525 125.207 120.570 0.187 0.000 2.396 372 I HA 0.196 4.366 4.170 -0.000 0.000 0.289 372 I C -0.150 176.057 176.117 0.150 0.000 1.056 372 I CA -0.487 60.902 61.300 0.147 0.000 1.365 372 I CB 1.022 39.100 38.000 0.130 0.000 1.407 372 I HN 0.356 nan 8.210 nan 0.000 0.509 373 V N 1.837 121.858 119.914 0.177 0.000 3.012 373 V HA 0.481 4.600 4.120 -0.000 0.000 0.307 373 V C -0.112 176.120 176.094 0.231 0.000 1.166 373 V CA -0.777 61.629 62.300 0.176 0.000 0.974 373 V CB 1.721 33.651 31.823 0.178 0.000 1.040 373 V HN 0.611 nan 8.190 nan 0.000 0.428 374 S N 2.910 118.668 115.700 0.096 0.000 2.546 374 S HA 0.252 4.722 4.470 -0.000 0.000 0.290 374 S C -0.068 174.578 174.600 0.076 0.000 1.290 374 S CA 0.384 58.577 58.200 -0.012 0.000 1.069 374 S CB 0.044 63.176 63.200 -0.113 0.000 0.846 374 S HN 1.150 nan 8.310 nan 0.000 0.495 375 D N 1.673 121.942 120.400 -0.218 0.000 2.478 375 D HA 0.215 4.855 4.640 -0.000 0.000 0.269 375 D C 0.991 177.145 176.300 -0.244 0.000 1.232 375 D CA -0.795 52.864 54.000 -0.568 0.000 1.059 375 D CB 0.343 40.410 40.800 -1.223 0.000 1.104 375 D HN 0.355 nan 8.370 nan 0.000 0.566 376 K N -1.015 119.254 120.400 -0.219 0.000 2.228 376 K HA -0.180 4.140 4.320 -0.000 0.000 0.205 376 K C 0.318 176.860 176.600 -0.096 0.000 1.045 376 K CA 1.482 57.706 56.287 -0.104 0.000 0.931 376 K CB -0.072 32.379 32.500 -0.081 0.000 0.727 376 K HN 0.382 nan 8.250 nan 0.000 0.458 377 D N -1.269 119.069 120.400 -0.103 0.000 2.339 377 D HA 0.058 4.698 4.640 -0.000 0.000 0.217 377 D C 0.836 177.108 176.300 -0.048 0.000 1.050 377 D CA 0.873 54.863 54.000 -0.016 0.000 0.856 377 D CB 0.799 41.644 40.800 0.075 0.000 0.922 377 D HN 0.464 nan 8.370 nan 0.000 0.518 378 G N 0.685 109.385 108.800 -0.168 0.000 2.141 378 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.242 378 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.242 378 G C -0.282 174.281 174.900 -0.563 0.000 0.982 378 G CA -0.371 44.520 45.100 -0.349 0.000 0.662 378 G HN 0.276 nan 8.290 nan 0.000 0.527 379 Y N 0.114 120.180 120.300 -0.390 0.000 2.328 379 Y HA 0.607 5.157 4.550 -0.000 0.000 0.337 379 Y C 0.764 176.311 175.900 -0.589 0.000 1.008 379 Y CA -1.070 56.712 58.100 -0.530 0.000 1.129 379 Y CB 1.374 39.410 38.460 -0.708 0.000 1.185 379 Y HN -0.025 nan 8.280 nan 0.000 0.476 380 K N 3.525 123.695 120.400 -0.384 0.000 2.351 380 K HA 0.132 4.452 4.320 -0.000 0.000 0.287 380 K C -1.022 175.388 176.600 -0.316 0.000 1.068 380 K CA 0.623 56.770 56.287 -0.234 0.000 0.998 380 K CB -0.390 32.038 32.500 -0.120 0.000 0.968 380 K HN 0.679 nan 8.250 nan 0.000 0.464 381 H N 0.964 120.017 119.070 -0.028 0.000 2.908 381 H HA 0.486 5.042 4.556 -0.000 0.000 0.350 381 H C -0.437 174.942 175.328 0.083 0.000 1.217 381 H CA -1.254 54.753 56.048 -0.068 0.000 1.168 381 H CB 1.525 31.189 29.762 -0.162 0.000 1.891 381 H HN 0.290 nan 8.280 nan 0.000 0.566 382 I N 2.494 123.142 120.570 0.130 0.000 2.342 382 I HA 0.245 4.414 4.170 -0.000 0.000 0.291 382 I C -0.284 175.802 176.117 -0.051 0.000 1.010 382 I CA -0.371 60.941 61.300 0.020 0.000 1.308 382 I CB 0.266 38.202 38.000 -0.107 0.000 1.400 382 I HN 0.457 nan 8.210 nan 0.000 0.488 383 c N 3.014 121.471 118.600 -0.238 0.000 2.797 383 c HA 0.531 5.101 4.570 -0.000 0.000 0.306 383 c C -0.282 173.459 174.090 -0.582 0.000 1.207 383 c CA -1.014 54.989 56.329 -0.544 0.000 1.507 383 c CB 1.178 42.938 42.510 -1.251 0.000 2.028 383 c HN 0.759 nan 8.230 nan 0.000 0.475 384 Q N 0.501 119.925 119.800 -0.627 0.000 2.394 384 Q HA 0.603 4.943 4.340 -0.000 0.000 0.248 384 Q C -1.286 174.131 176.000 -0.972 0.000 0.992 384 Q CA 0.441 55.767 55.803 -0.796 0.000 0.888 384 Q CB 0.803 29.177 28.738 -0.607 0.000 1.257 384 Q HN 0.718 nan 8.270 nan 0.000 0.462 385 F N -0.094 119.281 119.950 -0.959 0.000 2.629 385 F HA 0.330 4.857 4.527 -0.000 0.000 0.316 385 F C -0.167 175.197 175.800 -0.727 0.000 1.081 385 F CA -0.967 56.425 58.000 -1.014 0.000 0.954 385 F CB 1.951 39.686 39.000 -2.108 0.000 1.337 385 F HN 0.262 nan 8.300 nan 0.000 0.474 386 Q N 1.356 121.082 119.800 -0.124 0.000 2.306 386 Q HA 0.251 4.590 4.340 -0.000 0.000 0.265 386 Q C 0.795 176.975 176.000 0.299 0.000 1.022 386 Q CA -0.654 55.176 55.803 0.044 0.000 0.853 386 Q CB 2.388 31.157 28.738 0.053 0.000 1.327 386 Q HN 0.709 nan 8.270 nan 0.000 0.449 387 K N 1.505 122.107 120.400 0.337 0.000 2.052 387 K HA -0.171 4.149 4.320 -0.000 0.000 0.215 387 K C -0.248 176.589 176.600 0.395 0.000 1.053 387 K CA 1.520 58.082 56.287 0.458 0.000 0.934 387 K CB 0.213 32.900 32.500 0.311 0.000 0.717 387 K HN 0.562 nan 8.250 nan 0.000 0.450 388 D N 0.786 121.307 120.400 0.202 0.000 2.302 388 D HA 0.024 4.663 4.640 -0.000 0.000 0.248 388 D C 0.058 176.350 176.300 -0.014 0.000 1.094 388 D CA -0.046 53.986 54.000 0.053 0.000 0.897 388 D CB 1.190 42.011 40.800 0.034 0.000 1.200 388 D HN 0.203 nan 8.370 nan 0.000 0.429 389 R N 1.344 121.694 120.500 -0.249 0.000 2.707 389 R HA 0.183 4.522 4.340 -0.000 0.000 0.270 389 R C -0.435 175.840 176.300 -0.042 0.000 1.083 389 R CA 0.011 55.969 56.100 -0.236 0.000 1.182 389 R CB 0.587 30.702 30.300 -0.309 0.000 1.084 389 R HN 0.265 nan 8.270 nan 0.000 0.528 390 K N 3.064 123.470 120.400 0.010 0.000 2.507 390 K HA 0.303 4.623 4.320 -0.000 0.000 0.252 390 K C -2.472 174.130 176.600 0.003 0.000 0.943 390 K CA -2.108 54.181 56.287 0.002 0.000 0.808 390 K CB 2.289 34.788 32.500 -0.002 0.000 1.142 390 K HN 0.553 nan 8.250 nan 0.000 0.426 391 P HA -0.159 nan 4.420 nan 0.000 0.245 391 P C -0.925 176.376 177.300 0.002 0.000 1.123 391 P CA 0.835 63.936 63.100 0.000 0.000 0.853 391 P CB -0.075 31.623 31.700 -0.003 0.000 0.786 392 E N 2.611 122.817 120.200 0.010 0.000 2.199 392 E HA -0.244 4.106 4.350 -0.000 0.000 0.208 392 E C -0.168 176.428 176.600 -0.007 0.000 1.310 392 E CA 0.599 57.005 56.400 0.009 0.000 0.709 392 E CB -1.521 28.185 29.700 0.010 0.000 1.127 392 E HN 0.660 nan 8.360 nan 0.000 0.354 393 Q N -2.095 117.693 119.800 -0.021 0.000 1.748 393 Q HA 0.038 4.378 4.340 -0.000 0.000 0.172 393 Q C 0.795 176.738 176.000 -0.095 0.000 0.810 393 Q CA 0.187 55.957 55.803 -0.056 0.000 0.831 393 Q CB 0.404 29.114 28.738 -0.045 0.000 1.249 393 Q HN 0.171 nan 8.270 nan 0.000 0.375 394 V N -0.870 119.009 119.914 -0.058 0.000 2.688 394 V HA -0.170 3.950 4.120 -0.000 0.000 0.256 394 V C 1.084 176.956 176.094 -0.371 0.000 1.084 394 V CA 1.001 63.285 62.300 -0.027 0.000 1.103 394 V CB -0.366 31.604 31.823 0.245 0.000 0.688 394 V HN 0.505 nan 8.190 nan 0.000 0.480 395 c N -0.671 117.623 118.600 -0.509 0.000 2.562 395 c HA 0.707 5.277 4.570 -0.000 0.000 0.332 395 c C 0.452 174.192 174.090 -0.585 0.000 1.201 395 c CA -0.153 55.650 56.329 -0.878 0.000 1.803 395 c CB 1.805 43.677 42.510 -1.063 0.000 2.328 395 c HN 0.450 nan 8.230 nan 0.000 0.500 396 T N 2.969 117.134 114.554 -0.649 0.000 3.078 396 T HA 0.348 4.698 4.350 -0.000 0.000 0.328 396 T C -0.735 173.748 174.700 -0.361 0.000 0.987 396 T CA -0.018 61.870 62.100 -0.353 0.000 1.049 396 T CB 0.032 68.760 68.868 -0.233 0.000 1.011 396 T HN 0.395 nan 8.240 nan 0.000 0.463 397 F N 2.481 122.313 119.950 -0.198 0.000 2.538 397 F HA 0.252 4.778 4.527 -0.000 0.000 0.371 397 F C 1.541 177.233 175.800 -0.181 0.000 1.087 397 F CA -0.163 57.722 58.000 -0.190 0.000 1.250 397 F CB 0.493 39.393 39.000 -0.167 0.000 1.110 397 F HN 0.540 nan 8.300 nan 0.000 0.570 398 I N 1.789 122.328 120.570 -0.050 0.000 3.976 398 I HA 0.096 4.266 4.170 -0.000 0.000 0.337 398 I C -0.192 175.800 176.117 -0.209 0.000 1.359 398 I CA 0.456 61.640 61.300 -0.193 0.000 1.098 398 I CB -0.041 37.759 38.000 -0.334 0.000 1.027 398 I HN 0.505 nan 8.210 nan 0.000 0.394 399 T N 1.217 115.620 114.554 -0.251 0.000 2.993 399 T HA 0.462 4.812 4.350 -0.000 0.000 0.312 399 T C -0.692 173.404 174.700 -1.007 0.000 1.115 399 T CA -0.721 61.031 62.100 -0.580 0.000 1.027 399 T CB 2.447 70.858 68.868 -0.762 0.000 1.116 399 T HN -0.022 nan 8.240 nan 0.000 0.464 400 K N 0.829 120.711 120.400 -0.864 0.000 2.482 400 K HA 0.887 5.207 4.320 -0.000 0.000 0.257 400 K C -0.331 176.006 176.600 -0.439 0.000 0.969 400 K CA -1.096 54.816 56.287 -0.624 0.000 0.842 400 K CB 2.563 34.905 32.500 -0.263 0.000 1.359 400 K HN 0.987 nan 8.250 nan 0.000 0.441 401 G N -0.346 108.296 108.800 -0.264 0.000 2.334 401 G HA2 0.266 4.225 3.960 -0.000 0.000 0.566 401 G HA3 0.266 4.225 3.960 -0.000 0.000 0.566 401 G C -1.412 173.083 174.900 -0.675 0.000 1.413 401 G CA -0.521 44.429 45.100 -0.249 0.000 0.993 401 G HN 0.598 nan 8.290 nan 0.000 0.642 402 A N 1.521 124.076 122.820 -0.441 0.000 3.091 402 A HA 0.649 4.968 4.320 -0.000 0.000 0.264 402 A C 0.260 177.781 177.584 -0.105 0.000 1.673 402 A CA 0.652 52.205 52.037 -0.806 0.000 1.362 402 A CB -1.066 17.721 19.000 -0.356 0.000 1.137 402 A HN 1.870 nan 8.150 nan 0.000 0.617 403 W N -0.821 120.353 121.300 -0.211 0.000 2.982 403 W HA 0.596 5.256 4.660 -0.000 0.000 0.344 403 W C -1.270 175.282 176.519 0.056 0.000 1.215 403 W CA -0.823 56.540 57.345 0.029 0.000 1.182 403 W CB 0.241 29.699 29.460 -0.003 0.000 1.437 403 W HN 0.263 nan 8.180 nan 0.000 0.570 404 E N 0.748 121.085 120.200 0.228 0.000 2.312 404 E HA 0.471 4.821 4.350 -0.000 0.000 0.267 404 E C -1.134 175.590 176.600 0.206 0.000 0.894 404 E CA -1.208 55.179 56.400 -0.022 0.000 0.773 404 E CB 3.357 33.077 29.700 0.033 0.000 1.241 404 E HN 0.176 nan 8.360 nan 0.000 0.432 405 V N 4.132 124.092 119.914 0.078 0.000 2.432 405 V HA 0.010 4.130 4.120 -0.000 0.000 0.271 405 V C 1.285 177.483 176.094 0.174 0.000 1.046 405 V CA -0.095 62.303 62.300 0.164 0.000 0.945 405 V CB 0.494 32.301 31.823 -0.026 0.000 0.992 405 V HN 0.695 nan 8.190 nan 0.000 0.471 406 I N 3.350 124.044 120.570 0.206 0.000 2.193 406 I HA -0.012 4.158 4.170 -0.000 0.000 0.240 406 I C 1.059 177.286 176.117 0.183 0.000 1.084 406 I CA 1.293 62.697 61.300 0.172 0.000 1.365 406 I CB -0.607 37.432 38.000 0.065 0.000 1.064 406 I HN 0.805 nan 8.210 nan 0.000 0.410 407 S N -0.331 115.478 115.700 0.182 0.000 2.547 407 S HA 0.573 5.043 4.470 -0.000 0.000 0.270 407 S C -0.761 173.933 174.600 0.156 0.000 1.150 407 S CA -0.818 57.484 58.200 0.170 0.000 0.850 407 S CB 1.967 65.267 63.200 0.166 0.000 1.118 407 S HN 0.065 nan 8.310 nan 0.000 0.461 408 I N 2.726 123.341 120.570 0.075 0.000 2.301 408 I HA 0.252 4.421 4.170 -0.000 0.000 0.292 408 I C 0.889 176.973 176.117 -0.054 0.000 1.046 408 I CA -0.412 60.847 61.300 -0.069 0.000 1.282 408 I CB 0.980 38.721 38.000 -0.432 0.000 1.409 408 I HN 0.746 nan 8.210 nan 0.000 0.484 409 E N 5.102 125.336 120.200 0.056 0.000 2.250 409 E HA 0.217 4.566 4.350 -0.000 0.000 0.192 409 E C 0.349 176.996 176.600 0.077 0.000 0.986 409 E CA 0.277 56.726 56.400 0.082 0.000 0.849 409 E CB 0.543 30.288 29.700 0.074 0.000 0.797 409 E HN 0.707 nan 8.360 nan 0.000 0.482 410 A N 0.476 123.348 122.820 0.085 0.000 2.590 410 A HA 0.504 4.823 4.320 -0.000 0.000 0.296 410 A C -2.024 175.663 177.584 0.172 0.000 1.050 410 A CA -0.721 51.386 52.037 0.115 0.000 0.697 410 A CB 1.018 20.021 19.000 0.006 0.000 1.277 410 A HN 0.040 nan 8.150 nan 0.000 0.411 411 L N 1.555 122.882 121.223 0.174 0.000 2.372 411 L HA 0.727 5.067 4.340 -0.000 0.000 0.273 411 L C 0.025 176.996 176.870 0.168 0.000 0.989 411 L CA 0.390 55.320 54.840 0.151 0.000 0.841 411 L CB 1.563 43.716 42.059 0.156 0.000 1.225 411 L HN 0.787 nan 8.230 nan 0.000 0.414 412 T N 1.191 115.852 114.554 0.178 0.000 2.884 412 T HA 0.257 4.607 4.350 -0.000 0.000 0.277 412 T C 1.236 175.988 174.700 0.088 0.000 0.976 412 T CA 0.228 62.413 62.100 0.143 0.000 0.956 412 T CB 1.381 70.363 68.868 0.190 0.000 1.113 412 T HN 0.715 nan 8.240 nan 0.000 0.554 413 S N -0.029 115.701 115.700 0.051 0.000 2.515 413 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 413 S C 0.636 175.225 174.600 -0.019 0.000 0.987 413 S CA 1.321 59.542 58.200 0.036 0.000 0.936 413 S CB -0.434 62.781 63.200 0.025 0.000 0.766 413 S HN 0.836 nan 8.310 nan 0.000 0.528 414 D N -1.879 118.459 120.400 -0.104 0.000 2.401 414 D HA 0.219 4.859 4.640 -0.000 0.000 0.269 414 D C -0.135 176.037 176.300 -0.215 0.000 1.117 414 D CA -0.332 53.530 54.000 -0.230 0.000 0.829 414 D CB -0.014 40.508 40.800 -0.463 0.000 1.350 414 D HN 0.494 nan 8.370 nan 0.000 0.529 415 Y N 0.137 120.423 120.300 -0.023 0.000 2.524 415 Y HA 0.567 5.117 4.550 -0.000 0.000 0.344 415 Y C -1.221 174.609 175.900 -0.116 0.000 1.012 415 Y CA -1.792 56.233 58.100 -0.126 0.000 1.068 415 Y CB 2.523 40.833 38.460 -0.249 0.000 1.249 415 Y HN -0.161 nan 8.280 nan 0.000 0.468 416 L N 3.182 124.392 121.223 -0.021 0.000 2.377 416 L HA 0.474 4.814 4.340 -0.000 0.000 0.270 416 L C -1.950 174.890 176.870 -0.050 0.000 0.991 416 L CA -0.974 53.831 54.840 -0.057 0.000 0.851 416 L CB 0.116 42.043 42.059 -0.220 0.000 1.218 416 L HN 0.387 nan 8.230 nan 0.000 0.420 417 Y N 5.713 125.999 120.300 -0.023 0.000 2.313 417 Y HA 0.550 5.100 4.550 -0.000 0.000 0.332 417 Y C -0.126 175.783 175.900 0.015 0.000 1.071 417 Y CA -0.057 57.993 58.100 -0.084 0.000 1.169 417 Y CB 0.908 39.284 38.460 -0.140 0.000 1.192 417 Y HN 0.635 nan 8.280 nan 0.000 0.487 418 Y N 0.305 120.645 120.300 0.067 0.000 2.705 418 Y HA 0.877 5.427 4.550 -0.000 0.000 0.332 418 Y C -1.649 174.308 175.900 0.095 0.000 1.157 418 Y CA -2.171 55.964 58.100 0.057 0.000 1.091 418 Y CB 1.315 39.796 38.460 0.036 0.000 1.301 418 Y HN 0.362 nan 8.280 nan 0.000 0.488 419 I N 2.222 123.005 120.570 0.356 0.000 2.582 419 I HA 0.598 4.768 4.170 -0.000 0.000 0.292 419 I C -0.864 175.472 176.117 0.365 0.000 1.066 419 I CA -0.581 60.858 61.300 0.231 0.000 1.053 419 I CB 2.304 40.368 38.000 0.107 0.000 1.241 419 I HN 0.900 nan 8.210 nan 0.000 0.421 420 S N 3.031 118.922 115.700 0.318 0.000 2.685 420 S HA 0.459 4.929 4.470 -0.000 0.000 0.282 420 S C -0.658 174.042 174.600 0.168 0.000 1.159 420 S CA -0.836 57.545 58.200 0.303 0.000 0.833 420 S CB 1.836 65.306 63.200 0.450 0.000 1.151 420 S HN 0.655 nan 8.310 nan 0.000 0.485 421 N N -0.449 118.349 118.700 0.164 0.000 2.458 421 N HA 0.147 4.886 4.740 -0.000 0.000 0.274 421 N C 0.419 175.951 175.510 0.035 0.000 1.242 421 N CA -0.340 52.750 53.050 0.066 0.000 0.904 421 N CB 0.344 38.842 38.487 0.018 0.000 1.206 421 N HN 0.849 nan 8.380 nan 0.000 0.510 422 E N -0.119 119.996 120.200 -0.141 0.000 2.046 422 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 422 E C -0.252 176.183 176.600 -0.275 0.000 0.982 422 E CA 0.146 56.176 56.400 -0.617 0.000 0.800 422 E CB -0.068 28.558 29.700 -1.789 0.000 0.756 422 E HN 0.330 nan 8.360 nan 0.000 0.449 423 Y N 2.004 122.196 120.300 -0.179 0.000 2.805 423 Y HA -0.146 4.404 4.550 -0.000 0.000 0.337 423 Y C 0.533 176.391 175.900 -0.069 0.000 1.252 423 Y CA 0.769 58.821 58.100 -0.080 0.000 1.515 423 Y CB 0.295 38.751 38.460 -0.006 0.000 1.305 423 Y HN 0.098 nan 8.280 nan 0.000 0.600 424 K N 3.061 123.100 120.400 -0.602 0.000 2.905 424 K HA -0.361 3.958 4.320 -0.000 0.000 0.256 424 K C 0.108 176.610 176.600 -0.164 0.000 1.008 424 K CA 1.310 57.312 56.287 -0.474 0.000 0.752 424 K CB -0.869 31.271 32.500 -0.600 0.000 1.216 424 K HN 0.912 nan 8.250 nan 0.000 0.479 425 E N -1.934 118.194 120.200 -0.120 0.000 2.722 425 E HA -0.254 4.096 4.350 -0.000 0.000 0.265 425 E C -0.522 176.042 176.600 -0.059 0.000 1.081 425 E CA 1.145 57.520 56.400 -0.041 0.000 0.781 425 E CB -1.126 28.583 29.700 0.015 0.000 1.372 425 E HN 0.473 nan 8.360 nan 0.000 0.423 426 M N 1.181 120.669 119.600 -0.187 0.000 2.111 426 M HA 0.137 4.617 4.480 -0.000 0.000 0.351 426 M C -1.369 174.656 176.300 -0.458 0.000 1.214 426 M CA -1.842 53.153 55.300 -0.508 0.000 1.120 426 M CB 0.760 33.145 32.600 -0.358 0.000 1.443 426 M HN -0.170 nan 8.290 nan 0.000 0.429 427 P HA -0.087 nan 4.420 nan 0.000 0.222 427 P C 0.930 178.079 177.300 -0.251 0.000 1.147 427 P CA 1.186 64.106 63.100 -0.300 0.000 0.790 427 P CB 0.171 31.707 31.700 -0.274 0.000 0.780 428 G N -0.597 107.976 108.800 -0.379 0.000 3.284 428 G HA2 0.335 4.295 3.960 -0.000 0.000 0.236 428 G HA3 0.335 4.295 3.960 -0.000 0.000 0.236 428 G C 0.598 175.514 174.900 0.025 0.000 1.158 428 G CA 0.027 45.045 45.100 -0.136 0.000 0.774 428 G HN 0.426 nan 8.290 nan 0.000 0.545 429 G N -0.119 108.651 108.800 -0.050 0.000 2.454 429 G HA2 0.639 4.599 3.960 -0.000 0.000 0.329 429 G HA3 0.639 4.599 3.960 -0.000 0.000 0.329 429 G C -0.909 173.944 174.900 -0.080 0.000 1.177 429 G CA -0.759 44.365 45.100 0.040 0.000 0.951 429 G HN 0.055 nan 8.290 nan 0.000 0.485 430 R N 1.217 121.611 120.500 -0.176 0.000 2.532 430 R HA 0.470 4.810 4.340 -0.000 0.000 0.297 430 R C -1.132 175.160 176.300 -0.013 0.000 0.984 430 R CA -0.835 55.111 56.100 -0.258 0.000 0.884 430 R CB 1.911 31.762 30.300 -0.748 0.000 1.182 430 R HN 0.582 nan 8.270 nan 0.000 0.442 431 N N 1.677 120.410 118.700 0.055 0.000 2.242 431 N HA 0.300 5.040 4.740 -0.000 0.000 0.292 431 N C -1.267 174.200 175.510 -0.073 0.000 1.125 431 N CA -0.805 52.246 53.050 0.002 0.000 0.783 431 N CB 2.754 41.193 38.487 -0.080 0.000 1.558 431 N HN 0.262 nan 8.380 nan 0.000 0.472 432 L N 2.403 123.428 121.223 -0.330 0.000 2.265 432 L HA 0.463 4.802 4.340 -0.000 0.000 0.288 432 L C -1.263 175.246 176.870 -0.602 0.000 1.058 432 L CA 0.107 54.729 54.840 -0.363 0.000 0.809 432 L CB -0.235 41.569 42.059 -0.424 0.000 1.179 432 L HN 0.413 nan 8.230 nan 0.000 0.429 433 Y N 3.873 123.766 120.300 -0.678 0.000 2.675 433 Y HA 0.723 5.273 4.550 -0.000 0.000 0.328 433 Y C -0.308 175.122 175.900 -0.783 0.000 1.092 433 Y CA -0.751 56.852 58.100 -0.829 0.000 1.190 433 Y CB 1.374 39.080 38.460 -1.256 0.000 1.350 433 Y HN 0.600 nan 8.280 nan 0.000 0.525 434 K N 0.740 120.838 120.400 -0.504 0.000 2.570 434 K HA 0.613 4.933 4.320 -0.000 0.000 0.256 434 K C -2.357 174.014 176.600 -0.382 0.000 0.939 434 K CA -0.427 55.504 56.287 -0.594 0.000 0.833 434 K CB 1.322 33.220 32.500 -1.004 0.000 1.318 434 K HN 0.665 nan 8.250 nan 0.000 0.433 435 I N 2.533 122.960 120.570 -0.239 0.000 2.569 435 I HA 0.248 4.418 4.170 -0.000 0.000 0.296 435 I C -0.513 175.620 176.117 0.027 0.000 1.028 435 I CA -1.042 60.216 61.300 -0.070 0.000 1.082 435 I CB 2.257 40.277 38.000 0.032 0.000 1.264 435 I HN 0.690 nan 8.210 nan 0.000 0.429 436 Q N 4.725 124.622 119.800 0.161 0.000 2.294 436 Q HA 0.304 4.644 4.340 -0.000 0.000 0.257 436 Q C 0.461 176.614 176.000 0.254 0.000 0.955 436 Q CA -0.400 55.624 55.803 0.368 0.000 0.936 436 Q CB 1.329 30.278 28.738 0.352 0.000 1.188 436 Q HN 0.676 nan 8.270 nan 0.000 0.420 437 L N 2.507 123.846 121.223 0.194 0.000 2.012 437 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 437 L C 2.446 179.426 176.870 0.184 0.000 1.073 437 L CA 1.912 56.886 54.840 0.223 0.000 0.748 437 L CB -0.913 41.230 42.059 0.140 0.000 0.891 437 L HN 0.783 nan 8.230 nan 0.000 0.431 438 T N -3.956 110.644 114.554 0.076 0.000 3.007 438 T HA -0.145 4.205 4.350 -0.000 0.000 0.270 438 T C 0.635 175.308 174.700 -0.045 0.000 1.107 438 T CA 0.859 62.960 62.100 0.002 0.000 1.118 438 T CB -0.129 68.737 68.868 -0.003 0.000 0.889 438 T HN 0.225 nan 8.240 nan 0.000 0.506 439 D N 0.128 120.534 120.400 0.009 0.000 2.328 439 D HA 0.158 4.798 4.640 -0.000 0.000 0.243 439 D C -0.036 176.332 176.300 0.113 0.000 1.324 439 D CA -0.528 53.471 54.000 -0.002 0.000 0.966 439 D CB 0.600 41.417 40.800 0.029 0.000 1.324 439 D HN 0.086 nan 8.370 nan 0.000 0.549 440 H N 1.266 120.355 119.070 0.033 0.000 2.543 440 H HA -0.001 4.555 4.556 -0.000 0.000 0.286 440 H C 1.502 176.845 175.328 0.025 0.000 1.037 440 H CA 0.888 56.955 56.048 0.032 0.000 1.250 440 H CB -0.025 29.753 29.762 0.027 0.000 1.373 440 H HN 0.301 nan 8.280 nan 0.000 0.580 441 T N -0.349 114.278 114.554 0.122 0.000 2.942 441 T HA -0.087 4.263 4.350 -0.000 0.000 0.265 441 T C 1.613 176.346 174.700 0.056 0.000 1.062 441 T CA 0.995 63.138 62.100 0.072 0.000 1.139 441 T CB -0.547 68.344 68.868 0.040 0.000 0.883 441 T HN 0.699 nan 8.240 nan 0.000 0.468 442 N N 2.406 121.142 118.700 0.060 0.000 3.103 442 N HA 0.203 4.942 4.740 -0.000 0.000 0.305 442 N C -0.069 175.444 175.510 0.005 0.000 1.232 442 N CA 0.017 53.087 53.050 0.034 0.000 1.190 442 N CB -0.638 37.883 38.487 0.057 0.000 1.461 442 N HN 0.442 nan 8.380 nan 0.000 0.538 443 K N 0.659 121.061 120.400 0.004 0.000 2.274 443 K HA 0.450 4.770 4.320 -0.000 0.000 0.262 443 K C -0.876 175.698 176.600 -0.043 0.000 0.961 443 K CA -0.653 55.632 56.287 -0.003 0.000 0.833 443 K CB 0.857 33.400 32.500 0.073 0.000 1.102 443 K HN 0.373 nan 8.250 nan 0.000 0.436 444 K N 4.130 124.455 120.400 -0.124 0.000 2.501 444 K HA 0.256 4.576 4.320 -0.000 0.000 0.252 444 K C -1.544 174.848 176.600 -0.347 0.000 0.934 444 K CA -0.851 55.320 56.287 -0.192 0.000 0.797 444 K CB 1.781 34.147 32.500 -0.223 0.000 1.270 444 K HN 0.785 nan 8.250 nan 0.000 0.431 445 C N 5.611 124.623 119.300 -0.480 0.000 2.527 445 C HA 0.381 4.840 4.460 -0.000 0.000 0.396 445 C C 1.189 175.783 174.990 -0.661 0.000 1.289 445 C CA -0.520 57.930 59.018 -0.947 0.000 2.047 445 C CB -0.809 26.283 27.740 -1.080 0.000 2.568 445 C HN 0.908 nan 8.230 nan 0.000 0.573 446 L N 4.625 125.434 121.223 -0.690 0.000 2.664 446 L HA 0.146 4.486 4.340 -0.000 0.000 0.233 446 L C 1.842 178.390 176.870 -0.537 0.000 1.113 446 L CA 0.441 54.975 54.840 -0.510 0.000 0.896 446 L CB -0.226 41.544 42.059 -0.482 0.000 1.163 446 L HN 0.887 nan 8.230 nan 0.000 0.497 447 S N -2.740 112.556 115.700 -0.673 0.000 2.549 447 S HA -0.002 4.468 4.470 -0.000 0.000 0.225 447 S C 1.766 176.085 174.600 -0.469 0.000 1.039 447 S CA -0.167 57.578 58.200 -0.759 0.000 0.942 447 S CB -0.235 62.146 63.200 -1.365 0.000 0.881 447 S HN 0.285 nan 8.310 nan 0.000 0.503 448 C N 2.916 121.887 119.300 -0.549 0.000 2.401 448 C HA -0.098 4.361 4.460 -0.000 0.000 0.276 448 C C 2.413 177.218 174.990 -0.308 0.000 1.233 448 C CA 1.272 59.924 59.018 -0.609 0.000 1.753 448 C CB -1.023 26.055 27.740 -1.103 0.000 2.029 448 C HN 0.587 nan 8.230 nan 0.000 0.478 449 D N 0.743 120.996 120.400 -0.245 0.000 2.084 449 D HA -0.038 4.602 4.640 -0.000 0.000 0.199 449 D C 2.098 178.374 176.300 -0.040 0.000 0.981 449 D CA 0.686 54.620 54.000 -0.110 0.000 0.841 449 D CB -0.826 39.913 40.800 -0.102 0.000 0.997 449 D HN 0.379 nan 8.370 nan 0.000 0.454 450 L N -0.361 120.834 121.223 -0.045 0.000 2.412 450 L HA -0.331 4.008 4.340 -0.000 0.000 0.242 450 L C 0.370 177.278 176.870 0.064 0.000 1.139 450 L CA 2.027 56.883 54.840 0.027 0.000 0.818 450 L CB -0.881 41.207 42.059 0.049 0.000 0.998 450 L HN 0.093 nan 8.230 nan 0.000 0.421 451 N N -1.482 117.279 118.700 0.103 0.000 2.664 451 N HA 0.144 4.884 4.740 -0.000 0.000 0.287 451 N C -1.859 173.696 175.510 0.074 0.000 1.869 451 N CA -0.649 52.444 53.050 0.072 0.000 0.832 451 N CB 0.791 39.312 38.487 0.057 0.000 1.293 451 N HN 0.153 nan 8.380 nan 0.000 0.498 452 P HA -0.286 nan 4.420 nan 0.000 0.219 452 P C 0.410 177.756 177.300 0.078 0.000 1.151 452 P CA 1.691 64.859 63.100 0.114 0.000 0.850 452 P CB 0.513 32.286 31.700 0.120 0.000 0.784 453 E N 0.141 120.368 120.200 0.044 0.000 2.021 453 E HA -0.087 4.262 4.350 -0.000 0.000 0.189 453 E C 2.450 179.051 176.600 0.000 0.000 0.980 453 E CA 0.708 57.121 56.400 0.022 0.000 0.803 453 E CB -1.046 28.660 29.700 0.009 0.000 0.766 453 E HN 0.133 nan 8.360 nan 0.000 0.449 454 R N -0.064 120.425 120.500 -0.018 0.000 2.100 454 R HA 0.133 4.473 4.340 -0.000 0.000 0.220 454 R C -0.184 176.064 176.300 -0.086 0.000 1.091 454 R CA 0.856 56.922 56.100 -0.058 0.000 0.986 454 R CB 0.107 30.364 30.300 -0.072 0.000 0.888 454 R HN 0.248 nan 8.270 nan 0.000 0.444 455 c N 1.129 119.677 118.600 -0.086 0.000 2.271 455 c HA 0.428 4.997 4.570 -0.000 0.000 0.323 455 c C 0.388 174.397 174.090 -0.135 0.000 1.245 455 c CA -0.698 55.494 56.329 -0.229 0.000 1.548 455 c CB 1.148 43.434 42.510 -0.373 0.000 2.214 455 c HN 0.488 nan 8.230 nan 0.000 0.477 456 Q N 0.305 120.037 119.800 -0.114 0.000 2.113 456 Q HA 0.171 4.511 4.340 -0.000 0.000 0.225 456 Q C -0.973 175.072 176.000 0.075 0.000 0.786 456 Q CA 0.100 55.932 55.803 0.048 0.000 0.989 456 Q CB 1.269 30.061 28.738 0.090 0.000 1.174 456 Q HN 0.821 nan 8.270 nan 0.000 0.470 457 Y N 0.461 120.628 120.300 -0.222 0.000 2.373 457 Y HA 0.361 4.910 4.550 -0.000 0.000 0.327 457 Y C -1.454 174.300 175.900 -0.244 0.000 1.036 457 Y CA -0.938 57.080 58.100 -0.137 0.000 1.265 457 Y CB 0.756 39.162 38.460 -0.090 0.000 1.108 457 Y HN -0.072 nan 8.280 nan 0.000 0.471 458 Y N 2.049 122.273 120.300 -0.126 0.000 2.496 458 Y HA 0.614 5.164 4.550 -0.000 0.000 0.331 458 Y C 0.226 176.077 175.900 -0.082 0.000 1.140 458 Y CA -0.602 57.453 58.100 -0.075 0.000 1.166 458 Y CB 2.154 40.555 38.460 -0.098 0.000 1.249 458 Y HN 0.477 nan 8.280 nan 0.000 0.479 459 S N 1.227 117.051 115.700 0.208 0.000 2.542 459 S HA 0.810 5.279 4.470 -0.000 0.000 0.293 459 S C -1.576 173.133 174.600 0.181 0.000 1.089 459 S CA -0.615 57.685 58.200 0.166 0.000 0.961 459 S CB 1.664 64.990 63.200 0.210 0.000 1.062 459 S HN 0.617 nan 8.310 nan 0.000 0.483 460 V N 1.394 121.392 119.914 0.141 0.000 3.158 460 V HA 0.958 5.078 4.120 -0.000 0.000 0.315 460 V C -0.867 175.336 176.094 0.183 0.000 1.148 460 V CA -0.176 62.203 62.300 0.132 0.000 1.042 460 V CB 2.294 34.124 31.823 0.012 0.000 1.101 460 V HN 1.297 nan 8.190 nan 0.000 0.448 461 S N 2.617 118.454 115.700 0.229 0.000 2.333 461 S HA 0.450 4.920 4.470 -0.000 0.000 0.208 461 S C -1.496 173.364 174.600 0.434 0.000 0.911 461 S CA -0.524 57.870 58.200 0.323 0.000 1.075 461 S CB 0.183 63.592 63.200 0.348 0.000 1.293 461 S HN 0.592 nan 8.310 nan 0.000 0.396 462 L N 3.739 125.064 121.223 0.170 0.000 2.399 462 L HA 0.599 4.939 4.340 -0.000 0.000 0.266 462 L C 1.205 177.767 176.870 -0.514 0.000 1.114 462 L CA -0.150 54.641 54.840 -0.083 0.000 0.804 462 L CB 1.288 43.193 42.059 -0.258 0.000 1.146 462 L HN 0.741 nan 8.230 nan 0.000 0.451 463 S N 0.888 115.922 115.700 -1.110 0.000 2.606 463 S HA 0.137 4.607 4.470 -0.000 0.000 0.257 463 S C 1.078 175.360 174.600 -0.531 0.000 1.327 463 S CA -0.571 56.689 58.200 -1.568 0.000 0.984 463 S CB 0.397 62.723 63.200 -1.457 0.000 0.941 463 S HN 0.481 nan 8.310 nan 0.000 0.576 464 K N 0.657 120.899 120.400 -0.264 0.000 2.293 464 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 464 K C 0.659 177.229 176.600 -0.049 0.000 1.045 464 K CA 1.652 57.906 56.287 -0.056 0.000 0.933 464 K CB -0.419 32.100 32.500 0.031 0.000 0.736 464 K HN 0.798 nan 8.250 nan 0.000 0.463 465 E N -1.759 118.382 120.200 -0.098 0.000 3.067 465 E HA 0.269 4.619 4.350 -0.000 0.000 0.188 465 E C -0.606 175.947 176.600 -0.078 0.000 0.964 465 E CA 0.282 56.653 56.400 -0.047 0.000 1.286 465 E CB 0.837 30.534 29.700 -0.006 0.000 1.051 465 E HN 0.178 nan 8.360 nan 0.000 0.465 466 A N 1.282 123.996 122.820 -0.177 0.000 2.872 466 A HA -0.322 3.998 4.320 -0.000 0.000 0.273 466 A C 1.366 178.857 177.584 -0.155 0.000 1.442 466 A CA 1.638 53.534 52.037 -0.236 0.000 0.801 466 A CB -1.813 17.038 19.000 -0.248 0.000 1.031 466 A HN 0.310 nan 8.150 nan 0.000 0.582 467 K N -1.828 118.463 120.400 -0.181 0.000 2.167 467 K HA 0.118 4.438 4.320 -0.000 0.000 0.203 467 K C 0.273 176.543 176.600 -0.549 0.000 1.052 467 K CA 1.393 57.513 56.287 -0.278 0.000 0.956 467 K CB 0.027 32.401 32.500 -0.209 0.000 0.735 467 K HN 0.674 nan 8.250 nan 0.000 0.451 468 Y N -1.238 118.951 120.300 -0.184 0.000 2.665 468 Y HA 0.344 4.894 4.550 -0.001 0.000 0.336 468 Y C -1.073 174.796 175.900 -0.052 0.000 1.085 468 Y CA -1.273 56.756 58.100 -0.118 0.000 1.096 468 Y CB 1.647 40.085 38.460 -0.037 0.000 1.301 468 Y HN -0.005 nan 8.280 nan 0.000 0.493 469 Y N -0.892 119.545 120.300 0.227 0.000 2.424 469 Y HA 0.375 4.925 4.550 -0.000 0.000 0.323 469 Y C -1.437 174.655 175.900 0.321 0.000 1.174 469 Y CA -1.427 56.785 58.100 0.187 0.000 1.060 469 Y CB 0.956 39.394 38.460 -0.037 0.000 1.314 469 Y HN 0.601 nan 8.280 nan 0.000 0.439 470 Q N 4.592 124.725 119.800 0.555 0.000 2.230 470 Q HA 0.602 4.941 4.340 -0.000 0.000 0.253 470 Q C -1.726 174.511 176.000 0.394 0.000 0.919 470 Q CA -0.711 55.326 55.803 0.391 0.000 0.908 470 Q CB 1.607 30.486 28.738 0.236 0.000 1.245 470 Q HN 1.004 nan 8.270 nan 0.000 0.437 471 L N 2.061 123.499 121.223 0.358 0.000 2.329 471 L HA 0.570 4.910 4.340 -0.000 0.000 0.279 471 L C 0.228 177.266 176.870 0.281 0.000 1.014 471 L CA -0.900 54.119 54.840 0.298 0.000 0.814 471 L CB 2.052 44.239 42.059 0.213 0.000 1.257 471 L HN 0.812 nan 8.230 nan 0.000 0.424 472 G N 1.491 110.445 108.800 0.256 0.000 2.603 472 G HA2 0.290 4.250 3.960 -0.000 0.000 0.324 472 G HA3 0.290 4.250 3.960 -0.000 0.000 0.324 472 G C -0.546 174.284 174.900 -0.117 0.000 1.178 472 G CA -0.293 44.807 45.100 0.001 0.000 1.023 472 G HN 0.683 nan 8.290 nan 0.000 0.482 473 c N 5.101 123.483 118.600 -0.365 0.000 2.442 473 c HA 0.491 5.061 4.570 -0.000 0.000 0.362 473 c C 1.227 175.110 174.090 -0.345 0.000 1.242 473 c CA -0.790 55.259 56.329 -0.466 0.000 1.741 473 c CB -0.288 41.987 42.510 -0.392 0.000 2.378 473 c HN 0.727 nan 8.230 nan 0.000 0.549 474 R N 3.973 124.373 120.500 -0.166 0.000 2.334 474 R HA 0.211 4.551 4.340 -0.000 0.000 0.212 474 R C 1.430 177.733 176.300 0.005 0.000 0.897 474 R CA 0.417 56.526 56.100 0.015 0.000 1.056 474 R CB -1.014 29.402 30.300 0.193 0.000 1.046 474 R HN 0.909 nan 8.270 nan 0.000 0.513 475 G N 2.848 111.590 108.800 -0.097 0.000 3.168 475 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.238 475 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.238 475 G C -1.478 173.409 174.900 -0.022 0.000 1.256 475 G CA -0.600 44.450 45.100 -0.083 0.000 0.872 475 G HN 0.009 nan 8.290 nan 0.000 0.609 476 P HA -0.184 nan 4.420 nan 0.000 0.221 476 P C 1.572 178.884 177.300 0.020 0.000 1.160 476 P CA 1.955 65.073 63.100 0.031 0.000 0.933 476 P CB -0.222 31.486 31.700 0.014 0.000 0.793 477 G N -1.200 107.549 108.800 -0.085 0.000 2.570 477 G HA2 0.262 4.222 3.960 -0.000 0.000 0.276 477 G HA3 0.262 4.222 3.960 -0.000 0.000 0.276 477 G C -0.423 174.211 174.900 -0.443 0.000 1.346 477 G CA -0.619 44.350 45.100 -0.218 0.000 1.034 477 G HN 0.085 nan 8.290 nan 0.000 0.512 478 L N 2.113 122.978 121.223 -0.597 0.000 2.490 478 L HA 0.144 4.484 4.340 -0.000 0.000 0.274 478 L C -1.469 175.204 176.870 -0.328 0.000 1.201 478 L CA -1.248 53.158 54.840 -0.723 0.000 0.869 478 L CB 0.417 42.188 42.059 -0.480 0.000 1.123 478 L HN 0.344 nan 8.230 nan 0.000 0.484 479 P HA -0.037 nan 4.420 nan 0.000 0.263 479 P C -0.874 176.333 177.300 -0.155 0.000 1.175 479 P CA -0.036 62.996 63.100 -0.114 0.000 0.761 479 P CB 0.969 32.725 31.700 0.093 0.000 0.794 480 L N 4.981 126.003 121.223 -0.334 0.000 2.406 480 L HA 0.467 4.807 4.340 -0.000 0.000 0.272 480 L C -1.557 175.075 176.870 -0.396 0.000 0.980 480 L CA -0.868 53.833 54.840 -0.232 0.000 0.831 480 L CB 1.240 43.221 42.059 -0.130 0.000 1.253 480 L HN 0.175 nan 8.230 nan 0.000 0.406 481 Y N 2.743 123.056 120.300 0.022 0.000 2.335 481 Y HA 0.734 5.284 4.550 -0.000 0.000 0.338 481 Y C 0.325 176.191 175.900 -0.056 0.000 0.977 481 Y CA -0.526 57.584 58.100 0.018 0.000 1.114 481 Y CB 2.107 40.574 38.460 0.012 0.000 1.182 481 Y HN 0.653 nan 8.280 nan 0.000 0.463 482 T N 2.260 116.883 114.554 0.115 0.000 2.912 482 T HA 0.704 5.054 4.350 -0.000 0.000 0.299 482 T C -1.039 173.702 174.700 0.069 0.000 1.052 482 T CA -0.961 61.148 62.100 0.016 0.000 0.996 482 T CB 1.310 70.201 68.868 0.038 0.000 1.070 482 T HN 0.697 nan 8.240 nan 0.000 0.465 483 L N 1.286 122.450 121.223 -0.099 0.000 2.334 483 L HA 0.920 5.260 4.340 -0.000 0.000 0.276 483 L C -1.347 175.409 176.870 -0.189 0.000 1.014 483 L CA -0.884 53.972 54.840 0.026 0.000 0.815 483 L CB 1.324 43.407 42.059 0.041 0.000 1.268 483 L HN 0.796 nan 8.230 nan 0.000 0.428 484 H N 1.107 119.995 119.070 -0.303 0.000 2.834 484 H HA 0.554 5.110 4.556 -0.000 0.000 0.369 484 H C -0.876 174.232 175.328 -0.367 0.000 1.174 484 H CA -0.886 54.901 56.048 -0.436 0.000 1.165 484 H CB 1.327 30.605 29.762 -0.806 0.000 1.820 484 H HN 0.683 nan 8.280 nan 0.000 0.558 485 R N 0.370 120.799 120.500 -0.118 0.000 2.202 485 R HA 0.352 4.692 4.340 -0.000 0.000 0.334 485 R C 0.424 176.613 176.300 -0.184 0.000 1.036 485 R CA -0.224 55.759 56.100 -0.195 0.000 0.878 485 R CB 1.027 31.249 30.300 -0.130 0.000 1.067 485 R HN 0.542 nan 8.270 nan 0.000 0.457 486 S N 2.662 118.256 115.700 -0.176 0.000 2.392 486 S HA -0.212 4.258 4.470 -0.000 0.000 0.232 486 S C 1.122 175.797 174.600 0.124 0.000 1.041 486 S CA 2.311 60.588 58.200 0.129 0.000 1.026 486 S CB -0.257 63.002 63.200 0.100 0.000 0.845 486 S HN 0.869 nan 8.310 nan 0.000 0.465 487 T N 1.518 116.076 114.554 0.008 0.000 2.570 487 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 487 T C 1.307 176.038 174.700 0.051 0.000 1.071 487 T CA 1.914 64.036 62.100 0.037 0.000 1.172 487 T CB -0.595 68.266 68.868 -0.012 0.000 0.864 487 T HN 0.831 nan 8.240 nan 0.000 0.421 488 D N -0.516 119.899 120.400 0.024 0.000 2.469 488 D HA 0.256 4.895 4.640 -0.000 0.000 0.213 488 D C 0.602 176.919 176.300 0.029 0.000 1.135 488 D CA -0.147 53.865 54.000 0.021 0.000 0.834 488 D CB -0.083 40.723 40.800 0.009 0.000 1.009 488 D HN 0.255 nan 8.370 nan 0.000 0.507 489 Q N -0.661 119.172 119.800 0.054 0.000 2.385 489 Q HA -0.231 4.109 4.340 -0.000 0.000 0.215 489 Q C -0.142 175.917 176.000 0.097 0.000 0.671 489 Q CA 1.139 56.995 55.803 0.088 0.000 1.335 489 Q CB -1.959 26.827 28.738 0.079 0.000 1.425 489 Q HN 0.506 nan 8.270 nan 0.000 0.781 490 K N 1.897 122.316 120.400 0.033 0.000 2.466 490 K HA -0.052 4.267 4.320 -0.000 0.000 0.278 490 K C -0.148 176.425 176.600 -0.044 0.000 1.048 490 K CA 0.404 56.695 56.287 0.008 0.000 1.088 490 K CB 0.307 32.801 32.500 -0.010 0.000 0.884 490 K HN 0.245 nan 8.250 nan 0.000 0.478 491 E N 6.126 126.266 120.200 -0.100 0.000 1.985 491 E HA -0.035 4.315 4.350 -0.000 0.000 0.268 491 E C 0.837 177.280 176.600 -0.261 0.000 1.219 491 E CA -0.221 55.934 56.400 -0.410 0.000 0.942 491 E CB 0.187 29.676 29.700 -0.353 0.000 1.045 491 E HN 0.665 nan 8.360 nan 0.000 0.413 492 L N 4.325 125.413 121.223 -0.225 0.000 2.043 492 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 492 L C 1.302 178.106 176.870 -0.111 0.000 1.075 492 L CA 1.409 56.184 54.840 -0.108 0.000 0.752 492 L CB -0.815 41.219 42.059 -0.041 0.000 0.891 492 L HN 0.618 nan 8.230 nan 0.000 0.432 493 R N -2.542 117.857 120.500 -0.168 0.000 2.780 493 R HA 0.436 4.775 4.340 -0.000 0.000 0.280 493 R C -1.669 174.527 176.300 -0.174 0.000 1.016 493 R CA -0.959 55.059 56.100 -0.136 0.000 0.854 493 R CB 1.372 31.621 30.300 -0.086 0.000 1.293 493 R HN -0.280 nan 8.270 nan 0.000 0.483 494 V N 2.539 122.370 119.914 -0.138 0.000 2.383 494 V HA 0.224 4.343 4.120 -0.000 0.000 0.275 494 V C 1.235 177.209 176.094 -0.199 0.000 1.036 494 V CA -0.498 61.720 62.300 -0.137 0.000 0.889 494 V CB 1.226 33.000 31.823 -0.083 0.000 0.985 494 V HN 0.629 nan 8.190 nan 0.000 0.459 495 L N 2.863 123.902 121.223 -0.307 0.000 2.162 495 L HA 0.232 4.572 4.340 -0.000 0.000 0.205 495 L C 0.725 177.336 176.870 -0.431 0.000 1.086 495 L CA 0.836 55.284 54.840 -0.653 0.000 0.778 495 L CB 0.180 41.521 42.059 -1.197 0.000 0.928 495 L HN 0.690 nan 8.230 nan 0.000 0.446 496 E N 0.620 120.742 120.200 -0.129 0.000 2.406 496 E HA 0.152 4.502 4.350 -0.000 0.000 0.297 496 E C -1.990 174.681 176.600 0.119 0.000 0.917 496 E CA -0.673 55.758 56.400 0.050 0.000 0.795 496 E CB 1.016 30.812 29.700 0.160 0.000 1.285 496 E HN 0.141 nan 8.360 nan 0.000 0.400 497 D N 2.953 123.391 120.400 0.064 0.000 2.549 497 D HA 0.228 4.868 4.640 -0.000 0.000 0.251 497 D C -0.702 175.621 176.300 0.038 0.000 1.153 497 D CA -0.734 53.285 54.000 0.033 0.000 0.861 497 D CB 0.819 41.618 40.800 -0.001 0.000 1.207 497 D HN 0.386 nan 8.370 nan 0.000 0.543 498 N N 0.972 119.693 118.700 0.035 0.000 2.991 498 N HA -0.050 4.690 4.740 -0.000 0.000 0.324 498 N C 1.390 176.906 175.510 0.009 0.000 1.208 498 N CA 0.137 53.208 53.050 0.036 0.000 1.190 498 N CB 0.167 38.674 38.487 0.034 0.000 1.443 498 N HN 0.446 nan 8.380 nan 0.000 0.542 499 S N -0.276 115.434 115.700 0.017 0.000 2.355 499 S HA -0.197 4.273 4.470 -0.000 0.000 0.222 499 S C 2.169 176.784 174.600 0.025 0.000 1.031 499 S CA 0.665 58.871 58.200 0.010 0.000 0.993 499 S CB -0.383 62.825 63.200 0.013 0.000 0.859 499 S HN 0.460 nan 8.310 nan 0.000 0.453 500 A N 2.418 125.266 122.820 0.046 0.000 1.873 500 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 500 A C 2.297 179.927 177.584 0.076 0.000 1.193 500 A CA 1.922 53.997 52.037 0.064 0.000 0.629 500 A CB -1.144 17.904 19.000 0.078 0.000 0.826 500 A HN 0.546 nan 8.150 nan 0.000 0.447 501 L N 0.295 121.566 121.223 0.081 0.000 2.017 501 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 501 L C 2.066 178.948 176.870 0.020 0.000 1.073 501 L CA 2.794 57.689 54.840 0.091 0.000 0.745 501 L CB -0.755 41.363 42.059 0.098 0.000 0.894 501 L HN 0.545 nan 8.230 nan 0.000 0.432 502 D N -0.181 120.211 120.400 -0.013 0.000 2.133 502 D HA -0.271 4.368 4.640 -0.000 0.000 0.195 502 D C 2.083 178.364 176.300 -0.031 0.000 0.997 502 D CA 2.137 56.108 54.000 -0.048 0.000 0.840 502 D CB 0.342 41.112 40.800 -0.050 0.000 0.947 502 D HN 0.472 nan 8.370 nan 0.000 0.452 503 K N 0.580 120.981 120.400 0.001 0.000 2.147 503 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 503 K C 2.278 178.892 176.600 0.023 0.000 1.049 503 K CA 1.431 57.726 56.287 0.015 0.000 0.936 503 K CB -0.735 31.784 32.500 0.031 0.000 0.722 503 K HN 0.300 nan 8.250 nan 0.000 0.446 504 M N 0.054 119.678 119.600 0.039 0.000 2.160 504 M HA 0.115 4.595 4.480 -0.000 0.000 0.264 504 M C 2.285 178.528 176.300 -0.095 0.000 1.073 504 M CA 1.100 56.441 55.300 0.068 0.000 1.142 504 M CB -0.278 32.457 32.600 0.224 0.000 1.358 504 M HN 0.161 nan 8.290 nan 0.000 0.422 505 L N 0.446 121.543 121.223 -0.209 0.000 2.549 505 L HA -0.180 4.160 4.340 -0.000 0.000 0.230 505 L C 2.534 179.315 176.870 -0.149 0.000 1.162 505 L CA 0.429 55.089 54.840 -0.300 0.000 0.834 505 L CB -0.684 41.224 42.059 -0.251 0.000 0.947 505 L HN 0.408 nan 8.230 nan 0.000 0.452 506 Q N 0.176 119.929 119.800 -0.078 0.000 2.050 506 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 506 Q C 1.282 177.275 176.000 -0.011 0.000 0.980 506 Q CA 1.346 57.129 55.803 -0.033 0.000 0.840 506 Q CB -0.210 28.522 28.738 -0.010 0.000 0.898 506 Q HN 0.559 nan 8.270 nan 0.000 0.424 507 D N 0.323 120.726 120.400 0.006 0.000 2.324 507 D HA 0.039 4.679 4.640 -0.000 0.000 0.235 507 D C -0.047 176.281 176.300 0.046 0.000 1.095 507 D CA 0.177 54.201 54.000 0.041 0.000 0.871 507 D CB 0.559 41.403 40.800 0.073 0.000 0.906 507 D HN -0.022 nan 8.370 nan 0.000 0.522 508 V N 0.624 120.537 119.914 -0.001 0.000 2.735 508 V HA 0.184 4.304 4.120 -0.000 0.000 0.310 508 V C 0.070 176.160 176.094 -0.007 0.000 1.061 508 V CA -0.974 61.333 62.300 0.012 0.000 0.913 508 V CB 2.460 34.253 31.823 -0.050 0.000 1.005 508 V HN -0.168 nan 8.190 nan 0.000 0.428 509 Q N 3.908 123.719 119.800 0.019 0.000 2.678 509 Q HA 0.383 4.723 4.340 -0.000 0.000 0.222 509 Q C -0.481 175.482 176.000 -0.061 0.000 1.281 509 Q CA -0.243 55.538 55.803 -0.037 0.000 0.994 509 Q CB 0.525 29.241 28.738 -0.037 0.000 1.452 509 Q HN 0.554 nan 8.270 nan 0.000 0.570 510 M N 3.433 122.982 119.600 -0.085 0.000 2.242 510 M HA 0.309 4.789 4.480 -0.000 0.000 0.344 510 M C -1.888 174.343 176.300 -0.114 0.000 1.140 510 M CA -1.969 53.269 55.300 -0.102 0.000 1.160 510 M CB -0.084 32.450 32.600 -0.110 0.000 1.491 510 M HN 0.292 nan 8.290 nan 0.000 0.459 511 P HA 0.266 nan 4.420 nan 0.000 0.279 511 P C -0.713 176.521 177.300 -0.110 0.000 1.282 511 P CA -0.307 62.715 63.100 -0.130 0.000 0.788 511 P CB 0.695 32.311 31.700 -0.140 0.000 1.139 512 S N -1.092 114.533 115.700 -0.125 0.000 2.776 512 S HA 0.644 5.113 4.470 -0.000 0.000 0.306 512 S C -0.493 174.043 174.600 -0.107 0.000 1.114 512 S CA -0.701 57.441 58.200 -0.095 0.000 0.973 512 S CB 1.315 64.462 63.200 -0.090 0.000 1.250 512 S HN 0.567 nan 8.310 nan 0.000 0.549 513 K N 0.543 120.895 120.400 -0.080 0.000 2.695 513 K HA 0.277 4.596 4.320 -0.000 0.000 0.255 513 K C -1.615 174.949 176.600 -0.060 0.000 1.016 513 K CA -0.305 55.938 56.287 -0.073 0.000 0.928 513 K CB 1.249 33.727 32.500 -0.035 0.000 1.235 513 K HN 0.658 nan 8.250 nan 0.000 0.467 514 K N 4.531 124.880 120.400 -0.086 0.000 2.201 514 K HA 0.239 4.559 4.320 -0.000 0.000 0.278 514 K C -1.099 175.452 176.600 -0.082 0.000 1.027 514 K CA -0.658 55.586 56.287 -0.071 0.000 0.909 514 K CB 0.772 33.226 32.500 -0.077 0.000 1.062 514 K HN 0.467 nan 8.250 nan 0.000 0.465 515 L N 5.108 126.305 121.223 -0.044 0.000 2.384 515 L HA 0.410 4.749 4.340 -0.000 0.000 0.261 515 L C -1.070 175.830 176.870 0.049 0.000 1.024 515 L CA 0.024 54.871 54.840 0.013 0.000 0.899 515 L CB 0.724 42.858 42.059 0.126 0.000 1.243 515 L HN 0.688 nan 8.230 nan 0.000 0.449 516 D N 2.545 122.738 120.400 -0.345 0.000 2.801 516 D HA 0.519 5.159 4.640 -0.000 0.000 0.277 516 D C -1.446 174.463 176.300 -0.652 0.000 1.125 516 D CA -0.163 53.577 54.000 -0.433 0.000 1.102 516 D CB 2.311 42.887 40.800 -0.373 0.000 1.400 516 D HN 0.224 nan 8.370 nan 0.000 0.601 517 F N 0.052 119.599 119.950 -0.673 0.000 2.578 517 F HA 0.562 5.088 4.527 -0.000 0.000 0.311 517 F C -1.229 174.628 175.800 0.095 0.000 1.094 517 F CA -1.008 56.729 58.000 -0.437 0.000 0.923 517 F CB 1.088 39.282 39.000 -1.343 0.000 1.230 517 F HN 0.052 nan 8.300 nan 0.000 0.450 518 I N 3.127 123.951 120.570 0.423 0.000 2.924 518 I HA 0.669 4.838 4.170 -0.000 0.000 0.316 518 I C -1.131 175.216 176.117 0.383 0.000 1.014 518 I CA -1.206 60.242 61.300 0.246 0.000 1.106 518 I CB 2.097 40.206 38.000 0.181 0.000 1.311 518 I HN 0.719 nan 8.210 nan 0.000 0.502 519 V N 7.072 127.150 119.914 0.274 0.000 2.531 519 V HA 0.553 4.673 4.120 -0.000 0.000 0.301 519 V C -1.225 175.030 176.094 0.268 0.000 1.034 519 V CA -0.429 62.063 62.300 0.321 0.000 0.865 519 V CB 1.730 33.716 31.823 0.271 0.000 0.995 519 V HN 0.556 nan 8.190 nan 0.000 0.424 520 L N 5.504 126.958 121.223 0.386 0.000 2.354 520 L HA 0.649 4.989 4.340 -0.000 0.000 0.269 520 L C 0.707 177.746 176.870 0.282 0.000 1.005 520 L CA -1.095 53.920 54.840 0.291 0.000 0.819 520 L CB 1.865 44.083 42.059 0.266 0.000 1.311 520 L HN 0.674 nan 8.230 nan 0.000 0.423 521 N N 2.236 121.037 118.700 0.169 0.000 2.685 521 N HA -0.242 4.498 4.740 -0.000 0.000 0.251 521 N C -0.253 175.339 175.510 0.136 0.000 1.020 521 N CA 1.499 54.632 53.050 0.137 0.000 0.762 521 N CB -0.734 37.839 38.487 0.143 0.000 0.958 521 N HN 0.846 nan 8.380 nan 0.000 0.539 522 E N -3.793 116.484 120.200 0.128 0.000 2.957 522 E HA -0.183 4.166 4.350 -0.000 0.000 0.287 522 E C -0.618 176.025 176.600 0.073 0.000 0.976 522 E CA 0.977 57.434 56.400 0.094 0.000 0.907 522 E CB -1.916 27.824 29.700 0.066 0.000 1.456 522 E HN 0.406 nan 8.360 nan 0.000 0.421 523 T N 0.149 114.757 114.554 0.089 0.000 2.900 523 T HA 0.424 4.774 4.350 -0.000 0.000 0.295 523 T C -0.100 174.497 174.700 -0.170 0.000 1.044 523 T CA -0.840 61.210 62.100 -0.083 0.000 0.995 523 T CB 1.866 70.628 68.868 -0.178 0.000 1.072 523 T HN 0.033 nan 8.240 nan 0.000 0.473 524 R N 1.304 121.632 120.500 -0.287 0.000 2.340 524 R HA 0.424 4.764 4.340 -0.000 0.000 0.300 524 R C -1.127 174.938 176.300 -0.392 0.000 1.069 524 R CA -0.069 55.898 56.100 -0.222 0.000 0.984 524 R CB 0.460 30.513 30.300 -0.412 0.000 1.003 524 R HN 0.502 nan 8.270 nan 0.000 0.459 525 F N 2.587 122.704 119.950 0.279 0.000 2.610 525 F HA 0.235 4.762 4.527 -0.000 0.000 0.355 525 F C -0.469 175.561 175.800 0.383 0.000 1.140 525 F CA -0.851 57.319 58.000 0.284 0.000 1.037 525 F CB 0.880 40.086 39.000 0.343 0.000 1.287 525 F HN 0.419 nan 8.300 nan 0.000 0.457 526 W N 3.670 125.157 121.300 0.311 0.000 2.126 526 W HA 0.382 5.042 4.660 -0.000 0.000 0.346 526 W C -0.233 176.529 176.519 0.406 0.000 1.279 526 W CA -0.269 57.285 57.345 0.348 0.000 1.259 526 W CB 0.227 29.794 29.460 0.179 0.000 1.133 526 W HN 0.457 nan 8.180 nan 0.000 0.592 527 Y N -0.903 119.748 120.300 0.586 0.000 2.670 527 Y HA 0.649 5.199 4.550 -0.000 0.000 0.334 527 Y C -1.106 175.033 175.900 0.398 0.000 1.185 527 Y CA -1.871 56.560 58.100 0.551 0.000 1.053 527 Y CB 1.060 40.009 38.460 0.816 0.000 1.298 527 Y HN 0.553 nan 8.280 nan 0.000 0.459 528 Q N 1.575 121.574 119.800 0.333 0.000 2.416 528 Q HA 0.782 5.122 4.340 -0.000 0.000 0.281 528 Q C -1.923 174.176 176.000 0.164 0.000 1.067 528 Q CA -1.160 54.712 55.803 0.115 0.000 0.809 528 Q CB 3.386 32.190 28.738 0.111 0.000 1.418 528 Q HN 0.839 nan 8.270 nan 0.000 0.411 529 M N 1.911 121.532 119.600 0.034 0.000 2.386 529 M HA 0.457 4.936 4.480 -0.000 0.000 0.293 529 M C -1.305 174.928 176.300 -0.112 0.000 1.120 529 M CA -0.935 54.335 55.300 -0.050 0.000 0.909 529 M CB 2.360 34.890 32.600 -0.117 0.000 1.661 529 M HN 0.593 nan 8.290 nan 0.000 0.452 530 I N 4.856 125.351 120.570 -0.124 0.000 2.313 530 I HA 0.319 4.489 4.170 -0.000 0.000 0.286 530 I C -0.433 175.536 176.117 -0.247 0.000 1.091 530 I CA -0.364 60.847 61.300 -0.148 0.000 1.216 530 I CB -0.131 37.809 38.000 -0.100 0.000 1.434 530 I HN 0.628 nan 8.210 nan 0.000 0.487 531 L N 8.307 129.322 121.223 -0.348 0.000 2.360 531 L HA 0.315 4.655 4.340 -0.000 0.000 0.276 531 L C -1.766 174.889 176.870 -0.358 0.000 1.121 531 L CA -1.607 52.902 54.840 -0.552 0.000 0.845 531 L CB 0.292 41.857 42.059 -0.823 0.000 1.143 531 L HN 0.266 nan 8.230 nan 0.000 0.452 532 P HA 0.075 nan 4.420 nan 0.000 0.269 532 P C -2.366 174.860 177.300 -0.124 0.000 1.217 532 P CA -0.951 62.045 63.100 -0.173 0.000 0.783 532 P CB 0.017 31.658 31.700 -0.097 0.000 0.898 533 P HA -0.227 nan 4.420 nan 0.000 0.224 533 P C 0.813 178.003 177.300 -0.184 0.000 1.094 533 P CA 1.333 64.281 63.100 -0.253 0.000 0.964 533 P CB -0.724 30.741 31.700 -0.392 0.000 0.595 534 H N -1.057 118.051 119.070 0.063 0.000 5.425 534 H HA -0.083 4.472 4.556 -0.000 0.000 0.146 534 H C 0.393 175.774 175.328 0.088 0.000 0.553 534 H CA -0.019 56.064 56.048 0.059 0.000 1.270 534 H CB -2.150 27.638 29.762 0.042 0.000 1.385 534 H HN 0.131 nan 8.280 nan 0.000 1.007 535 F N 2.909 122.839 119.950 -0.033 0.000 2.514 535 F HA -0.083 4.443 4.527 -0.000 0.000 0.399 535 F C 0.362 176.148 175.800 -0.023 0.000 1.011 535 F CA -0.707 57.224 58.000 -0.115 0.000 1.109 535 F CB 0.129 38.938 39.000 -0.318 0.000 0.980 535 F HN 0.120 nan 8.300 nan 0.000 0.538 536 D N 5.545 125.708 120.400 -0.395 0.000 2.412 536 D HA 0.111 4.750 4.640 -0.000 0.000 0.224 536 D C 0.994 176.873 176.300 -0.702 0.000 1.093 536 D CA -0.395 53.340 54.000 -0.443 0.000 0.850 536 D CB 1.077 41.806 40.800 -0.117 0.000 1.046 536 D HN 0.648 nan 8.370 nan 0.000 0.507 537 K N 1.965 121.803 120.400 -0.936 0.000 2.444 537 K HA -0.189 4.131 4.320 -0.000 0.000 0.200 537 K C 1.487 178.018 176.600 -0.116 0.000 1.045 537 K CA 1.560 57.464 56.287 -0.637 0.000 0.934 537 K CB 0.144 32.412 32.500 -0.386 0.000 0.756 537 K HN 0.458 nan 8.250 nan 0.000 0.477 538 S N -0.620 115.013 115.700 -0.111 0.000 2.441 538 S HA 0.040 4.510 4.470 -0.000 0.000 0.224 538 S C 0.666 175.271 174.600 0.007 0.000 1.043 538 S CA -0.148 58.039 58.200 -0.021 0.000 0.948 538 S CB 0.083 63.254 63.200 -0.049 0.000 0.810 538 S HN 0.114 nan 8.310 nan 0.000 0.504 539 K N 1.189 121.574 120.400 -0.025 0.000 2.143 539 K HA 0.268 4.588 4.320 -0.000 0.000 0.239 539 K C -0.371 176.218 176.600 -0.019 0.000 1.048 539 K CA 0.150 56.380 56.287 -0.095 0.000 0.867 539 K CB 0.251 32.592 32.500 -0.265 0.000 1.088 539 K HN 0.179 nan 8.250 nan 0.000 0.510 540 K N 1.970 122.273 120.400 -0.161 0.000 2.483 540 K HA 0.237 4.557 4.320 -0.000 0.000 0.256 540 K C -1.333 175.174 176.600 -0.155 0.000 0.961 540 K CA -0.466 55.799 56.287 -0.037 0.000 0.873 540 K CB 1.002 33.474 32.500 -0.046 0.000 1.107 540 K HN 0.351 nan 8.250 nan 0.000 0.432 541 Y N 2.451 122.799 120.300 0.080 0.000 2.453 541 Y HA 0.315 4.865 4.550 -0.000 0.000 0.326 541 Y C -1.937 173.899 175.900 -0.107 0.000 1.186 541 Y CA -2.724 55.383 58.100 0.012 0.000 1.200 541 Y CB 0.392 38.914 38.460 0.103 0.000 1.247 541 Y HN 0.437 nan 8.280 nan 0.000 0.482 542 P HA 0.156 nan 4.420 nan 0.000 0.278 542 P C -1.144 176.034 177.300 -0.204 0.000 1.238 542 P CA -0.216 62.633 63.100 -0.417 0.000 0.794 542 P CB 1.640 32.739 31.700 -1.001 0.000 0.955 543 L N 4.086 125.231 121.223 -0.130 0.000 2.317 543 L HA 0.547 4.886 4.340 -0.000 0.000 0.281 543 L C -1.076 175.946 176.870 0.253 0.000 1.024 543 L CA -0.827 54.047 54.840 0.057 0.000 0.810 543 L CB 1.298 43.389 42.059 0.053 0.000 1.240 543 L HN 0.190 nan 8.230 nan 0.000 0.427 544 L N 6.297 127.683 121.223 0.270 0.000 2.345 544 L HA 0.546 4.885 4.340 -0.000 0.000 0.274 544 L C -1.017 176.084 176.870 0.385 0.000 0.999 544 L CA -0.258 54.804 54.840 0.370 0.000 0.849 544 L CB 0.948 43.175 42.059 0.280 0.000 1.220 544 L HN 0.421 nan 8.230 nan 0.000 0.422 545 I N 3.746 124.598 120.570 0.471 0.000 2.496 545 I HA 0.197 4.367 4.170 -0.000 0.000 0.285 545 I C 0.161 176.561 176.117 0.472 0.000 1.080 545 I CA 0.133 61.713 61.300 0.466 0.000 1.404 545 I CB 0.945 39.246 38.000 0.502 0.000 1.403 545 I HN 0.620 nan 8.210 nan 0.000 0.539 546 D N 6.574 127.217 120.400 0.405 0.000 2.303 546 D HA 0.490 5.129 4.640 -0.000 0.000 0.236 546 D C -0.899 175.516 176.300 0.191 0.000 1.068 546 D CA -0.184 54.003 54.000 0.312 0.000 0.830 546 D CB 1.602 42.627 40.800 0.376 0.000 1.109 546 D HN 0.195 nan 8.370 nan 0.000 0.496 547 V N 3.283 123.217 119.914 0.034 0.000 2.914 547 V HA 0.472 4.592 4.120 -0.000 0.000 0.314 547 V C -0.381 175.825 176.094 0.186 0.000 1.084 547 V CA -0.778 61.604 62.300 0.137 0.000 0.963 547 V CB 1.740 33.653 31.823 0.150 0.000 1.025 547 V HN 0.621 nan 8.190 nan 0.000 0.432 548 Y N 2.184 122.560 120.300 0.127 0.000 3.141 548 Y HA 0.571 5.121 4.550 -0.000 0.000 0.143 548 Y C 1.479 177.509 175.900 0.217 0.000 0.894 548 Y CA 0.967 59.164 58.100 0.161 0.000 1.894 548 Y CB -0.117 38.410 38.460 0.112 0.000 1.324 548 Y HN 1.292 nan 8.280 nan 0.000 0.280 549 A N 1.206 124.092 122.820 0.111 0.000 2.847 549 A HA -0.099 4.221 4.320 -0.000 0.000 0.263 549 A C 0.876 178.273 177.584 -0.312 0.000 1.391 549 A CA 1.280 53.297 52.037 -0.033 0.000 0.866 549 A CB -2.332 16.783 19.000 0.192 0.000 1.057 549 A HN 1.125 nan 8.150 nan 0.000 0.673 550 G N -1.225 107.052 108.800 -0.872 0.000 2.580 550 G HA2 0.544 4.504 3.960 -0.000 0.000 0.278 550 G HA3 0.544 4.504 3.960 -0.000 0.000 0.278 550 G C -2.475 171.886 174.900 -0.898 0.000 1.212 550 G CA -1.262 42.913 45.100 -1.541 0.000 0.939 550 G HN 0.260 nan 8.290 nan 0.000 0.513 551 P HA 0.103 nan 4.420 nan 0.000 0.265 551 P C 0.484 177.451 177.300 -0.554 0.000 1.193 551 P CA 0.191 62.835 63.100 -0.760 0.000 0.765 551 P CB 0.771 31.560 31.700 -1.518 0.000 0.823 552 C N 2.733 121.827 119.300 -0.343 0.000 4.365 552 C HA -0.129 4.331 4.460 -0.000 0.000 0.299 552 C C 0.729 175.608 174.990 -0.186 0.000 1.409 552 C CA 1.008 59.851 59.018 -0.292 0.000 2.007 552 C CB -2.805 24.747 27.740 -0.314 0.000 1.264 552 C HN 0.761 nan 8.230 nan 0.000 0.777 553 S N 0.026 115.549 115.700 -0.296 0.000 2.690 553 S HA 0.704 5.174 4.470 -0.000 0.000 0.291 553 S C -0.732 173.829 174.600 -0.064 0.000 1.138 553 S CA -0.236 57.767 58.200 -0.329 0.000 1.013 553 S CB 1.866 64.368 63.200 -1.163 0.000 1.053 553 S HN 0.796 nan 8.310 nan 0.000 0.539 554 Q N 0.269 120.126 119.800 0.094 0.000 2.483 554 Q HA 0.315 4.654 4.340 -0.000 0.000 0.245 554 Q C -0.567 175.538 176.000 0.174 0.000 0.902 554 Q CA -0.589 55.318 55.803 0.174 0.000 0.767 554 Q CB 0.911 29.834 28.738 0.309 0.000 1.341 554 Q HN 0.675 nan 8.270 nan 0.000 0.453 555 K N 0.594 121.089 120.400 0.158 0.000 2.379 555 K HA 0.253 4.573 4.320 -0.000 0.000 0.194 555 K C 0.071 176.775 176.600 0.173 0.000 1.031 555 K CA 0.365 56.764 56.287 0.187 0.000 1.037 555 K CB 1.007 33.639 32.500 0.219 0.000 0.824 555 K HN 0.467 nan 8.250 nan 0.000 0.516 556 A N 3.035 125.959 122.820 0.174 0.000 2.444 556 A HA 0.336 4.656 4.320 -0.000 0.000 0.332 556 A C -0.770 176.881 177.584 0.112 0.000 1.430 556 A CA -0.585 51.560 52.037 0.180 0.000 0.975 556 A CB -0.156 19.009 19.000 0.274 0.000 1.147 556 A HN 0.238 nan 8.150 nan 0.000 0.524 557 D N 0.365 120.798 120.400 0.055 0.000 2.636 557 D HA 0.554 5.193 4.640 -0.000 0.000 0.275 557 D C 0.106 176.382 176.300 -0.040 0.000 1.130 557 D CA -0.032 53.969 54.000 0.003 0.000 1.031 557 D CB 1.272 42.047 40.800 -0.042 0.000 1.451 557 D HN 0.192 nan 8.370 nan 0.000 0.505 558 A N -0.597 122.207 122.820 -0.026 0.000 2.476 558 A HA 0.623 4.942 4.320 -0.000 0.000 0.263 558 A C 0.471 177.986 177.584 -0.115 0.000 1.342 558 A CA 0.114 52.149 52.037 -0.003 0.000 0.926 558 A CB -1.087 17.980 19.000 0.111 0.000 1.019 558 A HN 0.708 nan 8.150 nan 0.000 0.515 559 A N -0.395 122.223 122.820 -0.337 0.000 2.306 559 A HA 0.638 4.958 4.320 -0.000 0.000 0.314 559 A C -0.453 177.070 177.584 -0.102 0.000 1.164 559 A CA -0.555 51.279 52.037 -0.339 0.000 0.822 559 A CB 0.273 18.856 19.000 -0.695 0.000 1.130 559 A HN 0.532 nan 8.150 nan 0.000 0.496 560 F N 1.918 121.788 119.950 -0.133 0.000 2.429 560 F HA 0.629 5.156 4.527 -0.000 0.000 0.348 560 F C 0.553 176.325 175.800 -0.046 0.000 1.109 560 F CA 0.251 58.204 58.000 -0.078 0.000 1.232 560 F CB 0.573 39.537 39.000 -0.060 0.000 1.157 560 F HN 0.645 nan 8.300 nan 0.000 0.564 561 R N 4.945 124.780 120.500 -1.108 0.000 2.710 561 R HA 0.565 4.905 4.340 -0.000 0.000 0.270 561 R C -1.855 173.959 176.300 -0.810 0.000 1.021 561 R CA -0.997 54.650 56.100 -0.754 0.000 0.889 561 R CB 1.947 32.069 30.300 -0.296 0.000 1.243 561 R HN 0.690 nan 8.270 nan 0.000 0.464 562 L N 3.636 124.630 121.223 -0.381 0.000 2.454 562 L HA 0.400 4.740 4.340 -0.000 0.000 0.258 562 L C -0.991 175.962 176.870 0.139 0.000 1.025 562 L CA -0.726 54.016 54.840 -0.164 0.000 0.901 562 L CB 0.914 42.974 42.059 0.001 0.000 1.210 562 L HN 0.722 nan 8.230 nan 0.000 0.457 563 N N -0.394 118.361 118.700 0.093 0.000 3.294 563 N HA 0.228 4.968 4.740 -0.000 0.000 0.355 563 N C 0.251 175.587 175.510 -0.290 0.000 1.497 563 N CA -0.860 52.235 53.050 0.075 0.000 0.707 563 N CB 0.215 38.768 38.487 0.109 0.000 1.732 563 N HN 0.295 nan 8.380 nan 0.000 0.640 564 W N 0.234 120.995 121.300 -0.899 0.000 2.425 564 W HA 0.269 4.929 4.660 -0.000 0.000 0.277 564 W C 1.854 178.296 176.519 -0.128 0.000 1.231 564 W CA 1.923 58.831 57.345 -0.729 0.000 1.248 564 W CB -0.783 28.284 29.460 -0.655 0.000 1.117 564 W HN 0.666 nan 8.180 nan 0.000 0.568 565 A N -0.525 122.293 122.820 -0.005 0.000 1.969 565 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 565 A C 1.943 179.469 177.584 -0.097 0.000 1.169 565 A CA 2.224 54.215 52.037 -0.076 0.000 0.635 565 A CB -1.144 17.888 19.000 0.053 0.000 0.810 565 A HN 0.262 nan 8.150 nan 0.000 0.445 566 T N -1.215 113.318 114.554 -0.035 0.000 2.674 566 T HA -0.185 4.165 4.350 -0.000 0.000 0.265 566 T C 1.815 176.595 174.700 0.134 0.000 1.039 566 T CA 1.701 63.782 62.100 -0.031 0.000 1.150 566 T CB -0.513 68.263 68.868 -0.153 0.000 0.864 566 T HN 0.649 nan 8.240 nan 0.000 0.427 567 Y N 2.251 122.665 120.300 0.191 0.000 2.097 567 Y HA -0.111 4.438 4.550 -0.000 0.000 0.282 567 Y C 2.032 177.907 175.900 -0.043 0.000 1.152 567 Y CA 1.114 59.312 58.100 0.164 0.000 1.136 567 Y CB -0.812 37.681 38.460 0.054 0.000 0.975 567 Y HN 0.100 nan 8.280 nan 0.000 0.498 568 L N 0.090 121.009 121.223 -0.507 0.000 2.129 568 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 568 L C 2.710 179.340 176.870 -0.399 0.000 1.087 568 L CA 1.433 55.885 54.840 -0.646 0.000 0.757 568 L CB -0.977 40.721 42.059 -0.602 0.000 0.896 568 L HN 0.489 nan 8.230 nan 0.000 0.434 569 A N -1.418 121.248 122.820 -0.257 0.000 1.887 569 A HA -0.129 4.191 4.320 -0.000 0.000 0.212 569 A C 2.458 179.960 177.584 -0.137 0.000 1.198 569 A CA 1.269 53.198 52.037 -0.180 0.000 0.628 569 A CB -0.493 18.407 19.000 -0.166 0.000 0.847 569 A HN 0.292 nan 8.150 nan 0.000 0.449 570 S N -1.120 114.523 115.700 -0.094 0.000 2.423 570 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 570 S C 1.617 176.203 174.600 -0.024 0.000 1.014 570 S CA 2.197 60.383 58.200 -0.024 0.000 0.965 570 S CB -0.196 63.062 63.200 0.096 0.000 0.785 570 S HN 0.572 nan 8.310 nan 0.000 0.495 571 T N 0.161 114.635 114.554 -0.132 0.000 3.028 571 T HA 0.244 4.593 4.350 -0.000 0.000 0.250 571 T C 1.111 175.706 174.700 -0.176 0.000 0.979 571 T CA -0.073 61.952 62.100 -0.125 0.000 1.004 571 T CB 0.107 68.917 68.868 -0.096 0.000 1.120 571 T HN 0.212 nan 8.240 nan 0.000 0.482 572 E N 1.794 121.800 120.200 -0.322 0.000 2.474 572 E HA 0.190 4.540 4.350 -0.000 0.000 0.195 572 E C 0.156 176.711 176.600 -0.076 0.000 1.039 572 E CA -0.087 56.195 56.400 -0.198 0.000 0.881 572 E CB -0.043 29.487 29.700 -0.284 0.000 0.970 572 E HN 0.289 nan 8.360 nan 0.000 0.486 573 N N 0.789 119.456 118.700 -0.054 0.000 2.693 573 N HA -0.210 4.529 4.740 -0.000 0.000 0.249 573 N C -0.379 175.188 175.510 0.095 0.000 1.119 573 N CA 0.746 53.837 53.050 0.068 0.000 0.717 573 N CB -1.433 37.151 38.487 0.162 0.000 1.071 573 N HN 0.314 nan 8.380 nan 0.000 0.555 574 I N 1.032 121.588 120.570 -0.024 0.000 2.428 574 I HA 0.287 4.457 4.170 -0.000 0.000 0.296 574 I C 1.058 177.132 176.117 -0.070 0.000 0.985 574 I CA -0.577 60.713 61.300 -0.016 0.000 1.260 574 I CB 1.184 39.184 38.000 0.000 0.000 1.389 574 I HN -0.091 nan 8.210 nan 0.000 0.484 575 I N 6.183 126.719 120.570 -0.057 0.000 2.325 575 I HA 0.201 4.371 4.170 -0.000 0.000 0.291 575 I C -0.458 175.632 176.117 -0.045 0.000 1.019 575 I CA -0.507 60.718 61.300 -0.125 0.000 1.302 575 I CB 1.267 39.183 38.000 -0.140 0.000 1.401 575 I HN 0.206 nan 8.210 nan 0.000 0.485 576 V N 6.598 126.482 119.914 -0.051 0.000 2.347 576 V HA 0.655 4.775 4.120 -0.000 0.000 0.280 576 V C 0.265 176.393 176.094 0.057 0.000 1.021 576 V CA -0.406 61.920 62.300 0.044 0.000 0.847 576 V CB 1.182 33.026 31.823 0.035 0.000 0.990 576 V HN 0.839 nan 8.190 nan 0.000 0.444 577 A N 3.935 126.829 122.820 0.123 0.000 2.413 577 A HA 0.934 5.254 4.320 -0.000 0.000 0.307 577 A C -0.303 177.472 177.584 0.319 0.000 1.087 577 A CA -0.546 51.573 52.037 0.136 0.000 0.750 577 A CB 1.909 20.841 19.000 -0.114 0.000 1.296 577 A HN 0.673 nan 8.150 nan 0.000 0.423 578 S N 0.106 116.032 115.700 0.378 0.000 2.542 578 S HA 0.752 5.222 4.470 -0.000 0.000 0.293 578 S C -1.378 173.583 174.600 0.602 0.000 1.089 578 S CA -0.295 58.162 58.200 0.429 0.000 0.961 578 S CB 1.273 64.663 63.200 0.316 0.000 1.062 578 S HN 0.770 nan 8.310 nan 0.000 0.483 579 F N 2.302 122.485 119.950 0.388 0.000 2.539 579 F HA 0.377 4.903 4.527 -0.000 0.000 0.328 579 F C -1.317 174.659 175.800 0.294 0.000 1.148 579 F CA -0.889 57.351 58.000 0.399 0.000 0.940 579 F CB 1.099 40.287 39.000 0.314 0.000 1.194 579 F HN 0.401 nan 8.300 nan 0.000 0.438 580 D N 5.256 125.477 120.400 -0.299 0.000 2.402 580 D HA 0.283 4.923 4.640 -0.000 0.000 0.235 580 D C 0.545 176.498 176.300 -0.578 0.000 1.226 580 D CA 0.294 54.138 54.000 -0.262 0.000 0.918 580 D CB 1.352 42.145 40.800 -0.012 0.000 1.043 580 D HN 0.759 nan 8.370 nan 0.000 0.506 581 G N 1.799 110.323 108.800 -0.459 0.000 2.773 581 G HA2 0.247 4.207 3.960 -0.000 0.000 0.186 581 G HA3 0.247 4.207 3.960 -0.000 0.000 0.186 581 G C 0.266 175.134 174.900 -0.052 0.000 1.411 581 G CA -0.633 44.261 45.100 -0.344 0.000 1.054 581 G HN 0.291 nan 8.290 nan 0.000 0.579 582 R N -0.748 119.708 120.500 -0.074 0.000 2.594 582 R HA 0.405 4.744 4.340 -0.000 0.000 0.272 582 R C 1.140 177.451 176.300 0.019 0.000 1.074 582 R CA 1.085 57.215 56.100 0.050 0.000 1.105 582 R CB 0.608 30.922 30.300 0.023 0.000 1.008 582 R HN 1.023 nan 8.270 nan 0.000 0.472 583 G N 0.796 109.610 108.800 0.024 0.000 2.159 583 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.256 583 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.256 583 G C 0.201 175.049 174.900 -0.086 0.000 0.977 583 G CA 0.502 45.594 45.100 -0.014 0.000 0.652 583 G HN 0.715 nan 8.290 nan 0.000 0.531 584 S N -0.233 115.427 115.700 -0.066 0.000 2.666 584 S HA 0.806 5.276 4.470 -0.000 0.000 0.279 584 S C 1.735 176.262 174.600 -0.122 0.000 1.149 584 S CA 0.479 58.614 58.200 -0.109 0.000 1.020 584 S CB 1.001 64.165 63.200 -0.061 0.000 1.127 584 S HN 2.011 nan 8.310 nan 0.000 0.537 585 G N 0.142 108.887 108.800 -0.091 0.000 2.448 585 G HA2 -0.219 3.741 3.960 -0.000 0.000 1.023 585 G HA3 -0.219 3.741 3.960 -0.000 0.000 1.023 585 G C -0.593 174.164 174.900 -0.238 0.000 1.373 585 G CA 0.883 45.951 45.100 -0.053 0.000 0.841 585 G HN 0.845 nan 8.290 nan 0.000 0.583 586 Y N 0.509 120.803 120.300 -0.010 0.000 2.888 586 Y HA 0.505 5.055 4.550 -0.000 0.000 0.341 586 Y C 1.164 177.036 175.900 -0.047 0.000 1.241 586 Y CA -0.357 57.728 58.100 -0.025 0.000 1.440 586 Y CB 0.335 38.809 38.460 0.024 0.000 1.517 586 Y HN 0.391 nan 8.280 nan 0.000 0.518 587 Q N 0.801 120.586 119.800 -0.024 0.000 2.089 587 Q HA 0.459 4.799 4.340 -0.000 0.000 0.248 587 Q C 0.340 176.166 176.000 -0.289 0.000 0.828 587 Q CA -0.210 55.570 55.803 -0.039 0.000 1.102 587 Q CB 1.506 30.233 28.738 -0.017 0.000 1.221 587 Q HN 0.683 nan 8.270 nan 0.000 0.455 588 G N 0.684 109.171 108.800 -0.521 0.000 2.675 588 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 588 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 588 G C -0.489 174.018 174.900 -0.654 0.000 1.215 588 G CA -0.658 43.867 45.100 -0.958 0.000 0.777 588 G HN 0.131 nan 8.290 nan 0.000 0.638 589 D N 0.088 120.060 120.400 -0.714 0.000 2.264 589 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 589 D C 2.174 178.140 176.300 -0.557 0.000 0.966 589 D CA 1.181 54.696 54.000 -0.809 0.000 0.864 589 D CB 0.079 40.308 40.800 -0.952 0.000 0.933 589 D HN 0.585 nan 8.370 nan 0.000 0.499 590 K N 0.671 120.833 120.400 -0.396 0.000 2.057 590 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 590 K C 2.048 178.566 176.600 -0.137 0.000 1.049 590 K CA 0.817 56.977 56.287 -0.212 0.000 0.931 590 K CB -0.039 32.366 32.500 -0.158 0.000 0.714 590 K HN 0.122 nan 8.250 nan 0.000 0.440 591 I N 0.443 120.915 120.570 -0.162 0.000 2.333 591 I HA -0.221 3.948 4.170 -0.000 0.000 0.246 591 I C 2.641 178.722 176.117 -0.060 0.000 1.106 591 I CA 0.761 62.032 61.300 -0.048 0.000 1.411 591 I CB -0.082 37.897 38.000 -0.036 0.000 1.082 591 I HN 0.307 nan 8.210 nan 0.000 0.420 592 M N 0.093 119.588 119.600 -0.175 0.000 2.123 592 M HA -0.211 4.269 4.480 -0.000 0.000 0.263 592 M C 2.229 178.527 176.300 -0.004 0.000 1.069 592 M CA 1.847 57.068 55.300 -0.132 0.000 1.133 592 M CB -0.248 32.198 32.600 -0.256 0.000 1.356 592 M HN 0.218 nan 8.290 nan 0.000 0.415 593 H N 0.144 119.050 119.070 -0.274 0.000 2.546 593 H HA 0.168 4.724 4.556 -0.000 0.000 0.277 593 H C 1.989 177.277 175.328 -0.067 0.000 1.004 593 H CA 0.889 56.765 56.048 -0.287 0.000 1.231 593 H CB -0.698 28.830 29.762 -0.391 0.000 1.382 593 H HN 0.514 nan 8.280 nan 0.000 0.580 594 A N 0.673 123.536 122.820 0.071 0.000 2.042 594 A HA -0.182 4.137 4.320 -0.000 0.000 0.222 594 A C 2.347 179.975 177.584 0.074 0.000 1.167 594 A CA 1.416 53.491 52.037 0.063 0.000 0.649 594 A CB -0.764 18.271 19.000 0.058 0.000 0.809 594 A HN 0.423 nan 8.150 nan 0.000 0.457 595 I N -0.939 119.689 120.570 0.097 0.000 3.419 595 I HA -0.051 4.118 4.170 -0.000 0.000 0.286 595 I C 0.688 176.869 176.117 0.106 0.000 1.268 595 I CA -0.257 61.091 61.300 0.080 0.000 1.414 595 I CB -0.295 37.730 38.000 0.041 0.000 1.074 595 I HN 0.330 nan 8.210 nan 0.000 0.457 596 N N 2.421 121.235 118.700 0.189 0.000 2.138 596 N HA -0.213 4.527 4.740 -0.000 0.000 0.271 596 N C 0.573 176.159 175.510 0.125 0.000 1.272 596 N CA 0.969 54.147 53.050 0.213 0.000 0.819 596 N CB 0.319 38.893 38.487 0.145 0.000 1.052 596 N HN 0.022 nan 8.380 nan 0.000 0.479 597 K N -0.308 120.152 120.400 0.101 0.000 3.495 597 K HA -0.251 4.069 4.320 -0.000 0.000 0.315 597 K C -0.711 176.005 176.600 0.193 0.000 1.301 597 K CA 1.567 57.920 56.287 0.111 0.000 0.985 597 K CB -1.303 31.277 32.500 0.133 0.000 1.244 597 K HN 0.884 nan 8.250 nan 0.000 0.433 598 R N -0.358 120.185 120.500 0.072 0.000 2.924 598 R HA 0.413 4.753 4.340 -0.000 0.000 0.233 598 R C -0.019 176.265 176.300 -0.025 0.000 1.685 598 R CA -0.489 55.606 56.100 -0.008 0.000 1.462 598 R CB -0.321 29.904 30.300 -0.126 0.000 1.542 598 R HN -0.071 nan 8.270 nan 0.000 0.667 599 L N 0.924 122.115 121.223 -0.054 0.000 2.476 599 L HA 0.514 4.854 4.340 -0.000 0.000 0.255 599 L C 1.303 178.307 176.870 0.223 0.000 1.218 599 L CA 0.429 55.299 54.840 0.049 0.000 0.819 599 L CB 0.437 42.400 42.059 -0.160 0.000 1.119 599 L HN 0.871 nan 8.230 nan 0.000 0.485 600 G N 0.250 109.278 108.800 0.380 0.000 2.179 600 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.257 600 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.257 600 G C 0.326 175.272 174.900 0.077 0.000 1.010 600 G CA 0.528 45.785 45.100 0.262 0.000 0.736 600 G HN 0.706 nan 8.290 nan 0.000 0.513 601 T N -0.523 114.069 114.554 0.065 0.000 2.233 601 T HA 0.364 4.714 4.350 -0.000 0.000 0.172 601 T C 2.335 177.041 174.700 0.011 0.000 0.740 601 T CA 0.269 62.374 62.100 0.009 0.000 1.172 601 T CB -0.182 68.674 68.868 -0.020 0.000 2.941 601 T HN 0.082 nan 8.240 nan 0.000 0.398 602 L N 2.100 123.330 121.223 0.012 0.000 2.043 602 L HA -0.139 4.200 4.340 -0.000 0.000 0.212 602 L C 2.862 179.743 176.870 0.019 0.000 1.075 602 L CA 1.767 56.611 54.840 0.007 0.000 0.752 602 L CB -0.910 41.154 42.059 0.009 0.000 0.891 602 L HN 0.589 nan 8.230 nan 0.000 0.432 603 E N 0.694 120.926 120.200 0.053 0.000 2.204 603 E HA -0.146 4.203 4.350 -0.000 0.000 0.195 603 E C 2.040 178.695 176.600 0.091 0.000 0.990 603 E CA 1.435 57.884 56.400 0.082 0.000 0.821 603 E CB -0.538 29.241 29.700 0.131 0.000 0.750 603 E HN 0.400 nan 8.360 nan 0.000 0.477 604 V N 1.575 121.521 119.914 0.054 0.000 2.302 604 V HA -0.183 3.937 4.120 -0.000 0.000 0.243 604 V C 2.336 178.425 176.094 -0.008 0.000 1.036 604 V CA 1.852 64.153 62.300 0.003 0.000 1.020 604 V CB -0.549 31.235 31.823 -0.064 0.000 0.657 604 V HN 0.187 nan 8.190 nan 0.000 0.453 605 E N 0.525 120.716 120.200 -0.016 0.000 2.035 605 E HA -0.300 4.050 4.350 -0.000 0.000 0.204 605 E C 1.942 178.522 176.600 -0.034 0.000 1.025 605 E CA 1.852 58.235 56.400 -0.029 0.000 0.835 605 E CB -0.367 29.313 29.700 -0.033 0.000 0.764 605 E HN 0.559 nan 8.360 nan 0.000 0.457 606 D N 0.236 120.623 120.400 -0.023 0.000 2.203 606 D HA -0.211 4.429 4.640 -0.000 0.000 0.199 606 D C 1.946 178.246 176.300 -0.000 0.000 0.997 606 D CA 1.206 55.197 54.000 -0.015 0.000 0.863 606 D CB -0.288 40.541 40.800 0.049 0.000 0.928 606 D HN 0.084 nan 8.370 nan 0.000 0.458 607 Q N -0.029 119.819 119.800 0.081 0.000 2.079 607 Q HA -0.008 4.332 4.340 -0.000 0.000 0.200 607 Q C 2.156 178.164 176.000 0.013 0.000 0.974 607 Q CA 0.848 56.718 55.803 0.111 0.000 0.840 607 Q CB -0.129 28.687 28.738 0.129 0.000 0.898 607 Q HN 0.360 nan 8.270 nan 0.000 0.430 608 I N 0.020 120.601 120.570 0.019 0.000 2.202 608 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 608 I C 2.188 178.240 176.117 -0.108 0.000 1.091 608 I CA 0.868 62.220 61.300 0.087 0.000 1.368 608 I CB -0.331 37.719 38.000 0.083 0.000 1.058 608 I HN 0.202 nan 8.210 nan 0.000 0.410 609 E N 1.257 121.343 120.200 -0.190 0.000 2.097 609 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 609 E C 2.261 178.551 176.600 -0.517 0.000 1.000 609 E CA 1.765 57.991 56.400 -0.291 0.000 0.804 609 E CB -0.260 29.281 29.700 -0.266 0.000 0.740 609 E HN 0.489 nan 8.360 nan 0.000 0.454 610 A N 0.843 123.182 122.820 -0.802 0.000 1.933 610 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 610 A C 2.407 179.173 177.584 -1.364 0.000 1.175 610 A CA 2.250 53.452 52.037 -1.392 0.000 0.628 610 A CB -0.613 17.230 19.000 -1.929 0.000 0.814 610 A HN 0.298 nan 8.150 nan 0.000 0.444 611 A N -0.178 122.230 122.820 -0.686 0.000 1.902 611 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 611 A C 2.255 179.618 177.584 -0.368 0.000 1.181 611 A CA 1.385 53.191 52.037 -0.385 0.000 0.623 611 A CB -0.463 18.422 19.000 -0.190 0.000 0.818 611 A HN 0.529 nan 8.150 nan 0.000 0.443 612 R N -0.768 119.516 120.500 -0.360 0.000 2.070 612 R HA -0.141 4.199 4.340 -0.000 0.000 0.233 612 R C 2.274 178.408 176.300 -0.277 0.000 1.137 612 R CA 1.449 57.386 56.100 -0.272 0.000 0.945 612 R CB -0.508 29.657 30.300 -0.226 0.000 0.845 612 R HN 0.525 nan 8.270 nan 0.000 0.430 613 Q N 0.197 119.764 119.800 -0.388 0.000 2.152 613 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 613 Q C 2.093 177.967 176.000 -0.209 0.000 0.985 613 Q CA 1.555 57.156 55.803 -0.337 0.000 0.863 613 Q CB -0.413 28.041 28.738 -0.473 0.000 0.904 613 Q HN 0.463 nan 8.270 nan 0.000 0.422 614 F N 0.267 120.023 119.950 -0.323 0.000 2.146 614 F HA -0.178 4.348 4.527 -0.000 0.000 0.298 614 F C 2.299 177.873 175.800 -0.378 0.000 1.096 614 F CA 0.204 57.995 58.000 -0.348 0.000 1.275 614 F CB -0.211 38.616 39.000 -0.288 0.000 1.008 614 F HN 0.032 nan 8.300 nan 0.000 0.480 615 L N 0.257 121.410 121.223 -0.116 0.000 2.079 615 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 615 L C 2.188 178.947 176.870 -0.185 0.000 1.081 615 L CA 1.489 56.223 54.840 -0.177 0.000 0.752 615 L CB -0.606 41.357 42.059 -0.160 0.000 0.896 615 L HN 0.079 nan 8.230 nan 0.000 0.433 616 K N -0.290 120.016 120.400 -0.156 0.000 2.362 616 K HA -0.088 4.231 4.320 -0.000 0.000 0.200 616 K C 1.829 178.355 176.600 -0.123 0.000 1.046 616 K CA 0.986 57.199 56.287 -0.123 0.000 0.952 616 K CB -0.081 32.356 32.500 -0.105 0.000 0.753 616 K HN 0.324 nan 8.250 nan 0.000 0.466 617 M N -0.311 119.176 119.600 -0.188 0.000 2.686 617 M HA -0.015 4.465 4.480 -0.000 0.000 0.246 617 M C 1.294 177.434 176.300 -0.265 0.000 1.096 617 M CA 0.739 55.926 55.300 -0.188 0.000 1.076 617 M CB 0.062 32.514 32.600 -0.247 0.000 1.504 617 M HN 0.476 nan 8.290 nan 0.000 0.524 618 G N 1.490 110.141 108.800 -0.249 0.000 4.039 618 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.220 618 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.220 618 G C 0.486 175.309 174.900 -0.128 0.000 1.391 618 G CA 0.425 45.451 45.100 -0.125 0.000 0.920 618 G HN 0.626 nan 8.290 nan 0.000 0.599 619 F N 1.895 121.912 119.950 0.112 0.000 2.708 619 F HA 0.637 5.164 4.527 -0.000 0.000 0.299 619 F C 0.286 176.213 175.800 0.213 0.000 1.289 619 F CA -0.289 57.831 58.000 0.199 0.000 1.444 619 F CB -0.303 38.914 39.000 0.360 0.000 1.086 619 F HN 0.175 nan 8.300 nan 0.000 0.528 620 V N 1.090 120.923 119.914 -0.136 0.000 2.409 620 V HA 0.121 4.240 4.120 -0.000 0.000 0.291 620 V C -0.316 175.733 176.094 -0.075 0.000 1.020 620 V CA -1.016 61.235 62.300 -0.082 0.000 0.848 620 V CB 1.540 33.252 31.823 -0.185 0.000 0.990 620 V HN 0.124 nan 8.190 nan 0.000 0.430 621 D N 3.630 123.994 120.400 -0.061 0.000 2.398 621 D HA 0.001 4.641 4.640 -0.000 0.000 0.250 621 D C 1.613 177.847 176.300 -0.109 0.000 1.287 621 D CA 0.594 54.538 54.000 -0.093 0.000 0.992 621 D CB 1.054 41.781 40.800 -0.121 0.000 1.071 621 D HN 0.728 nan 8.370 nan 0.000 0.514 622 S N 3.752 119.391 115.700 -0.101 0.000 2.428 622 S HA -0.215 4.255 4.470 -0.000 0.000 0.240 622 S C 1.428 175.974 174.600 -0.090 0.000 1.036 622 S CA 0.859 58.994 58.200 -0.108 0.000 1.009 622 S CB -0.037 63.103 63.200 -0.100 0.000 0.803 622 S HN 0.288 nan 8.310 nan 0.000 0.486 623 K N 0.783 121.138 120.400 -0.074 0.000 2.505 623 K HA 0.258 4.577 4.320 -0.000 0.000 0.192 623 K C 0.231 176.816 176.600 -0.026 0.000 1.025 623 K CA 0.199 56.460 56.287 -0.043 0.000 1.086 623 K CB -0.025 32.453 32.500 -0.037 0.000 0.840 623 K HN 0.427 nan 8.250 nan 0.000 0.514 624 R N 0.138 120.590 120.500 -0.079 0.000 2.754 624 R HA 0.218 4.558 4.340 -0.000 0.000 0.255 624 R C -1.507 174.698 176.300 -0.158 0.000 1.723 624 R CA -0.119 55.905 56.100 -0.126 0.000 1.596 624 R CB 1.086 31.144 30.300 -0.403 0.000 1.424 624 R HN -0.223 nan 8.270 nan 0.000 0.662 625 V N 1.204 121.191 119.914 0.121 0.000 2.487 625 V HA 0.844 4.964 4.120 -0.000 0.000 0.298 625 V C -0.104 176.243 176.094 0.422 0.000 1.028 625 V CA -0.749 61.647 62.300 0.159 0.000 0.860 625 V CB 1.644 33.382 31.823 -0.143 0.000 0.991 625 V HN 0.572 nan 8.190 nan 0.000 0.427 626 A N 5.010 128.189 122.820 0.598 0.000 2.387 626 A HA 1.005 5.325 4.320 -0.000 0.000 0.298 626 A C -1.025 176.929 177.584 0.617 0.000 1.165 626 A CA -0.787 51.584 52.037 0.558 0.000 0.814 626 A CB 1.845 21.032 19.000 0.310 0.000 1.357 626 A HN 0.930 nan 8.150 nan 0.000 0.443 627 I N 0.598 121.456 120.570 0.480 0.000 2.680 627 I HA 0.587 4.756 4.170 -0.000 0.000 0.291 627 I C -1.932 174.432 176.117 0.413 0.000 1.244 627 I CA -0.525 61.007 61.300 0.386 0.000 1.042 627 I CB 1.346 39.353 38.000 0.012 0.000 1.277 627 I HN 0.933 nan 8.210 nan 0.000 0.423 628 W N 7.353 128.785 121.300 0.219 0.000 3.031 628 W HA 0.920 5.580 4.660 -0.000 0.000 0.337 628 W C -1.315 175.342 176.519 0.229 0.000 1.187 628 W CA -1.367 56.108 57.345 0.216 0.000 1.166 628 W CB 1.266 30.898 29.460 0.286 0.000 1.437 628 W HN 0.795 nan 8.180 nan 0.000 0.551 629 G N 0.786 109.516 108.800 -0.117 0.000 2.667 629 G HA2 0.406 4.365 3.960 -0.000 0.000 0.294 629 G HA3 0.406 4.365 3.960 -0.000 0.000 0.294 629 G C -2.605 172.189 174.900 -0.178 0.000 1.467 629 G CA -0.755 44.124 45.100 -0.368 0.000 0.852 629 G HN 0.600 nan 8.290 nan 0.000 0.521 630 W N 1.401 122.488 121.300 -0.356 0.000 2.578 630 W HA 0.537 5.197 4.660 -0.000 0.000 0.346 630 W C 1.084 177.531 176.519 -0.120 0.000 1.075 630 W CA 0.624 57.838 57.345 -0.217 0.000 1.233 630 W CB 1.640 30.945 29.460 -0.258 0.000 1.358 630 W HN 1.003 nan 8.180 nan 0.000 0.574 631 S N 1.665 117.547 115.700 0.304 0.000 4.155 631 S HA -0.440 4.030 4.470 -0.000 0.000 0.539 631 S C 0.950 175.658 174.600 0.179 0.000 1.841 631 S CA 1.943 60.304 58.200 0.268 0.000 4.215 631 S CB -1.616 61.772 63.200 0.312 0.000 0.531 631 S HN 0.756 nan 8.310 nan 0.000 0.461 632 Y N 3.047 123.417 120.300 0.117 0.000 2.242 632 Y HA 0.063 4.613 4.550 -0.000 0.000 0.291 632 Y C 2.537 178.614 175.900 0.296 0.000 1.137 632 Y CA 1.882 60.145 58.100 0.272 0.000 1.181 632 Y CB -0.935 37.792 38.460 0.444 0.000 0.989 632 Y HN 0.512 nan 8.280 nan 0.000 0.527 633 G N -0.724 108.325 108.800 0.415 0.000 2.432 633 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 633 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 633 G C 1.845 176.824 174.900 0.132 0.000 1.135 633 G CA 0.784 46.043 45.100 0.265 0.000 0.767 633 G HN 0.565 nan 8.290 nan 0.000 0.550 634 G N -0.288 108.572 108.800 0.101 0.000 2.408 634 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.217 634 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.217 634 G C 1.577 176.527 174.900 0.084 0.000 1.150 634 G CA 1.062 46.197 45.100 0.058 0.000 0.776 634 G HN 0.419 nan 8.290 nan 0.000 0.542 635 Y N 1.541 121.790 120.300 -0.083 0.000 2.089 635 Y HA -0.151 4.399 4.550 -0.000 0.000 0.282 635 Y C 2.785 178.621 175.900 -0.105 0.000 1.139 635 Y CA 1.705 59.702 58.100 -0.172 0.000 1.123 635 Y CB -0.594 37.638 38.460 -0.379 0.000 0.980 635 Y HN 0.025 nan 8.280 nan 0.000 0.493 636 V N -0.237 119.595 119.914 -0.136 0.000 2.332 636 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 636 V C 2.364 178.354 176.094 -0.174 0.000 1.055 636 V CA 2.438 64.623 62.300 -0.192 0.000 1.038 636 V CB -1.331 30.532 31.823 0.068 0.000 0.651 636 V HN 0.498 nan 8.190 nan 0.000 0.450 637 T N -0.031 114.480 114.554 -0.070 0.000 2.665 637 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 637 T C 2.151 176.768 174.700 -0.138 0.000 1.035 637 T CA 2.153 64.207 62.100 -0.077 0.000 1.151 637 T CB -0.302 68.602 68.868 0.060 0.000 0.862 637 T HN 0.535 nan 8.240 nan 0.000 0.438 638 S N 0.849 116.504 115.700 -0.075 0.000 2.368 638 S HA -0.004 4.466 4.470 -0.000 0.000 0.225 638 S C 2.125 176.638 174.600 -0.145 0.000 1.030 638 S CA 0.935 59.104 58.200 -0.051 0.000 0.999 638 S CB -0.265 62.971 63.200 0.060 0.000 0.844 638 S HN 0.346 nan 8.310 nan 0.000 0.459 639 M N 0.772 120.200 119.600 -0.288 0.000 2.229 639 M HA -0.024 4.456 4.480 -0.000 0.000 0.264 639 M C 2.133 178.266 176.300 -0.279 0.000 1.063 639 M CA 1.015 56.126 55.300 -0.314 0.000 1.114 639 M CB -1.137 31.163 32.600 -0.500 0.000 1.387 639 M HN 0.193 nan 8.290 nan 0.000 0.420 640 V N 0.600 120.326 119.914 -0.314 0.000 2.283 640 V HA -0.220 3.900 4.120 -0.000 0.000 0.243 640 V C 2.479 178.330 176.094 -0.405 0.000 1.039 640 V CA 1.281 63.372 62.300 -0.348 0.000 1.016 640 V CB -0.615 30.922 31.823 -0.476 0.000 0.650 640 V HN 0.386 nan 8.190 nan 0.000 0.449 641 L N 0.608 121.528 121.223 -0.504 0.000 2.129 641 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 641 L C 2.176 178.527 176.870 -0.866 0.000 1.087 641 L CA 1.655 56.118 54.840 -0.629 0.000 0.757 641 L CB -0.810 40.797 42.059 -0.754 0.000 0.896 641 L HN 0.514 nan 8.230 nan 0.000 0.434 642 G N -1.455 106.843 108.800 -0.836 0.000 3.233 642 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.227 642 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.227 642 G C 1.407 176.173 174.900 -0.224 0.000 1.175 642 G CA 0.558 45.307 45.100 -0.585 0.000 0.781 642 G HN 0.444 nan 8.290 nan 0.000 0.542 643 S N -0.721 114.848 115.700 -0.220 0.000 2.528 643 S HA 0.303 4.773 4.470 -0.000 0.000 0.219 643 S C 1.820 176.370 174.600 -0.083 0.000 0.985 643 S CA 0.849 58.977 58.200 -0.120 0.000 0.914 643 S CB -0.066 63.069 63.200 -0.108 0.000 0.776 643 S HN 1.305 nan 8.310 nan 0.000 0.526 644 G N 1.857 110.595 108.800 -0.104 0.000 2.305 644 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.287 644 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.287 644 G C 0.730 175.613 174.900 -0.028 0.000 1.036 644 G CA 0.717 45.782 45.100 -0.059 0.000 0.887 644 G HN 1.264 nan 8.290 nan 0.000 0.505 645 S N -1.322 114.371 115.700 -0.013 0.000 2.527 645 S HA 0.371 4.841 4.470 -0.000 0.000 0.222 645 S C 2.439 177.048 174.600 0.015 0.000 0.985 645 S CA 1.375 59.581 58.200 0.010 0.000 0.921 645 S CB 0.117 63.345 63.200 0.045 0.000 0.772 645 S HN 2.373 nan 8.310 nan 0.000 0.529 646 G N 0.685 109.499 108.800 0.023 0.000 2.347 646 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.247 646 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.247 646 G C 0.946 175.850 174.900 0.006 0.000 1.037 646 G CA 0.420 45.527 45.100 0.012 0.000 0.622 646 G HN 0.795 nan 8.290 nan 0.000 0.521 647 V N 0.121 120.035 119.914 0.001 0.000 2.568 647 V HA 0.110 4.230 4.120 -0.000 0.000 0.253 647 V C 1.241 177.134 176.094 -0.335 0.000 1.072 647 V CA 1.874 64.071 62.300 -0.172 0.000 1.084 647 V CB -0.585 31.093 31.823 -0.242 0.000 0.676 647 V HN 0.348 nan 8.190 nan 0.000 0.469 648 F N -0.891 119.056 119.950 -0.005 0.000 2.508 648 F HA 0.460 4.987 4.527 -0.000 0.000 0.325 648 F C 0.927 176.751 175.800 0.041 0.000 1.090 648 F CA -0.975 57.045 58.000 0.035 0.000 0.945 648 F CB 1.716 40.734 39.000 0.031 0.000 1.156 648 F HN -0.339 nan 8.300 nan 0.000 0.463 649 K N 0.975 121.530 120.400 0.259 0.000 2.141 649 K HA 0.176 4.495 4.320 -0.000 0.000 0.202 649 K C -0.108 176.609 176.600 0.195 0.000 1.045 649 K CA 0.877 57.277 56.287 0.188 0.000 0.971 649 K CB 0.307 32.923 32.500 0.193 0.000 0.795 649 K HN 0.792 nan 8.250 nan 0.000 0.459 650 c N -2.205 116.544 118.600 0.248 0.000 3.318 650 c HA 0.942 5.512 4.570 -0.000 0.000 0.329 650 c C -0.036 174.260 174.090 0.344 0.000 1.449 650 c CA -0.629 55.872 56.329 0.287 0.000 1.397 650 c CB 1.010 43.638 42.510 0.197 0.000 1.810 650 c HN 0.423 nan 8.230 nan 0.000 0.449 651 G N -0.370 108.699 108.800 0.447 0.000 2.579 651 G HA2 0.659 4.619 3.960 -0.000 0.000 0.292 651 G HA3 0.659 4.619 3.960 -0.000 0.000 0.292 651 G C -2.054 173.062 174.900 0.361 0.000 1.484 651 G CA -0.627 44.699 45.100 0.376 0.000 0.813 651 G HN 0.946 nan 8.290 nan 0.000 0.515 652 I N 0.607 121.370 120.570 0.323 0.000 2.499 652 I HA 0.624 4.794 4.170 -0.000 0.000 0.288 652 I C 0.071 176.336 176.117 0.246 0.000 1.048 652 I CA -1.012 60.387 61.300 0.165 0.000 1.062 652 I CB 2.278 40.344 38.000 0.111 0.000 1.238 652 I HN 0.706 nan 8.210 nan 0.000 0.426 653 A N 6.419 129.311 122.820 0.120 0.000 2.304 653 A HA 0.770 5.089 4.320 -0.000 0.000 0.314 653 A C -0.782 176.725 177.584 -0.129 0.000 1.187 653 A CA -0.513 51.569 52.037 0.074 0.000 0.810 653 A CB 1.180 20.301 19.000 0.202 0.000 1.183 653 A HN 0.434 nan 8.150 nan 0.000 0.487 654 V N 2.241 121.990 119.914 -0.275 0.000 2.370 654 V HA 0.552 4.672 4.120 -0.000 0.000 0.283 654 V C 0.980 176.683 176.094 -0.651 0.000 1.023 654 V CA 0.392 62.315 62.300 -0.628 0.000 0.857 654 V CB 0.786 31.860 31.823 -1.250 0.000 0.985 654 V HN 2.081 nan 8.190 nan 0.000 0.443 655 A N 5.828 128.289 122.820 -0.599 0.000 2.511 655 A HA -0.106 4.213 4.320 -0.000 0.000 0.297 655 A C -1.593 175.895 177.584 -0.161 0.000 1.476 655 A CA 0.457 52.107 52.037 -0.646 0.000 0.757 655 A CB -1.582 17.091 19.000 -0.545 0.000 1.072 655 A HN 0.630 nan 8.150 nan 0.000 0.413 656 P HA 0.427 nan 4.420 nan 0.000 0.274 656 P C -0.032 177.254 177.300 -0.024 0.000 1.256 656 P CA -0.246 62.850 63.100 -0.008 0.000 0.795 656 P CB 1.166 32.885 31.700 0.030 0.000 1.038 657 V N 1.407 121.231 119.914 -0.150 0.000 2.472 657 V HA 0.128 4.248 4.120 -0.000 0.000 0.290 657 V C 1.564 177.485 176.094 -0.289 0.000 1.037 657 V CA 0.358 62.435 62.300 -0.372 0.000 0.908 657 V CB 1.106 32.374 31.823 -0.925 0.000 0.985 657 V HN 0.759 nan 8.190 nan 0.000 0.454 658 S N 4.225 119.800 115.700 -0.208 0.000 2.506 658 S HA 0.239 4.709 4.470 -0.000 0.000 0.219 658 S C 0.494 174.929 174.600 -0.275 0.000 1.031 658 S CA -0.376 57.750 58.200 -0.123 0.000 0.911 658 S CB 0.217 63.415 63.200 -0.004 0.000 0.812 658 S HN 0.841 nan 8.310 nan 0.000 0.497 659 R N -1.324 118.849 120.500 -0.545 0.000 2.579 659 R HA 0.330 4.670 4.340 -0.000 0.000 0.260 659 R C -1.198 174.731 176.300 -0.619 0.000 1.103 659 R CA -0.926 54.822 56.100 -0.587 0.000 0.942 659 R CB -0.208 29.750 30.300 -0.571 0.000 1.251 659 R HN 0.150 nan 8.270 nan 0.000 0.450 660 W N 1.428 122.658 121.300 -0.117 0.000 2.538 660 W HA 0.009 4.669 4.660 -0.000 0.000 0.254 660 W C 0.994 177.686 176.519 0.289 0.000 1.249 660 W CA 0.532 57.902 57.345 0.042 0.000 1.253 660 W CB 0.191 29.561 29.460 -0.151 0.000 1.130 660 W HN 0.729 nan 8.180 nan 0.000 0.618 661 E N -1.225 119.172 120.200 0.327 0.000 2.427 661 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 661 E C 1.356 178.192 176.600 0.394 0.000 1.028 661 E CA 0.784 57.368 56.400 0.307 0.000 0.864 661 E CB -0.278 29.505 29.700 0.138 0.000 0.813 661 E HN 0.315 nan 8.360 nan 0.000 0.514 662 Y N -1.156 119.269 120.300 0.209 0.000 2.420 662 Y HA 0.038 4.587 4.550 -0.000 0.000 0.292 662 Y C 0.823 176.895 175.900 0.287 0.000 1.119 662 Y CA -0.237 57.968 58.100 0.174 0.000 1.229 662 Y CB -0.553 37.947 38.460 0.067 0.000 1.026 662 Y HN 0.033 nan 8.280 nan 0.000 0.554 663 Y N 2.159 122.669 120.300 0.351 0.000 2.334 663 Y HA 0.239 4.789 4.550 -0.000 0.000 0.325 663 Y C 0.580 176.746 175.900 0.443 0.000 1.308 663 Y CA -1.937 56.385 58.100 0.370 0.000 1.389 663 Y CB 0.188 38.906 38.460 0.430 0.000 1.328 663 Y HN 0.220 nan 8.280 nan 0.000 0.532 664 D N -0.614 119.595 120.400 -0.320 0.000 2.354 664 D HA 0.040 4.680 4.640 -0.000 0.000 0.238 664 D C 0.854 177.133 176.300 -0.035 0.000 1.250 664 D CA 0.517 54.352 54.000 -0.276 0.000 0.911 664 D CB 0.551 40.975 40.800 -0.626 0.000 1.163 664 D HN 0.450 nan 8.370 nan 0.000 0.456 665 S N 0.145 115.825 115.700 -0.035 0.000 2.335 665 S HA -0.148 4.322 4.470 -0.000 0.000 0.217 665 S C 2.068 176.670 174.600 0.004 0.000 1.032 665 S CA 0.863 59.092 58.200 0.047 0.000 0.985 665 S CB -1.002 62.240 63.200 0.071 0.000 0.896 665 S HN 0.417 nan 8.310 nan 0.000 0.445 666 V N 1.181 121.037 119.914 -0.097 0.000 2.250 666 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 666 V C 2.284 178.248 176.094 -0.216 0.000 1.060 666 V CA 2.422 64.555 62.300 -0.280 0.000 1.030 666 V CB -1.073 30.453 31.823 -0.494 0.000 0.643 666 V HN 0.544 nan 8.190 nan 0.000 0.445 667 Y N 1.279 121.472 120.300 -0.178 0.000 2.092 667 Y HA -0.239 4.310 4.550 -0.000 0.000 0.282 667 Y C 2.791 178.628 175.900 -0.104 0.000 1.126 667 Y CA 2.383 60.446 58.100 -0.063 0.000 1.111 667 Y CB -0.849 37.764 38.460 0.255 0.000 0.987 667 Y HN 0.222 nan 8.280 nan 0.000 0.489 668 T N 0.453 115.115 114.554 0.179 0.000 2.607 668 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 668 T C 1.637 176.226 174.700 -0.185 0.000 1.049 668 T CA 2.107 64.236 62.100 0.049 0.000 1.162 668 T CB -0.496 68.608 68.868 0.392 0.000 0.863 668 T HN 0.427 nan 8.240 nan 0.000 0.424 669 E N 0.385 120.541 120.200 -0.073 0.000 2.171 669 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 669 E C 2.337 178.770 176.600 -0.279 0.000 0.997 669 E CA 0.818 57.171 56.400 -0.077 0.000 0.810 669 E CB -0.170 29.540 29.700 0.018 0.000 0.738 669 E HN 0.334 nan 8.360 nan 0.000 0.467 670 R N -0.085 120.072 120.500 -0.573 0.000 2.117 670 R HA -0.202 4.137 4.340 -0.000 0.000 0.243 670 R C 1.250 176.950 176.300 -0.999 0.000 1.143 670 R CA 1.722 57.280 56.100 -0.902 0.000 0.968 670 R CB -0.037 29.362 30.300 -1.501 0.000 0.863 670 R HN 0.318 nan 8.270 nan 0.000 0.444 671 Y N -2.865 117.067 120.300 -0.613 0.000 2.498 671 Y HA 0.238 4.788 4.550 -0.000 0.000 0.259 671 Y C 1.613 177.303 175.900 -0.351 0.000 1.086 671 Y CA -0.457 57.292 58.100 -0.584 0.000 1.287 671 Y CB 0.563 38.525 38.460 -0.830 0.000 1.146 671 Y HN -0.042 nan 8.280 nan 0.000 0.523 672 M N -0.097 119.363 119.600 -0.233 0.000 2.308 672 M HA 0.366 4.845 4.480 -0.000 0.000 0.269 672 M C 1.059 177.389 176.300 0.050 0.000 1.040 672 M CA 0.743 55.928 55.300 -0.192 0.000 1.024 672 M CB -0.105 32.166 32.600 -0.549 0.000 1.465 672 M HN 0.359 nan 8.290 nan 0.000 0.517 673 G N 1.834 110.661 108.800 0.045 0.000 2.598 673 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 673 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 673 G C -0.526 174.486 174.900 0.188 0.000 1.302 673 G CA -0.742 44.417 45.100 0.098 0.000 0.903 673 G HN 0.346 nan 8.290 nan 0.000 0.575 674 L N 2.062 123.355 121.223 0.117 0.000 2.307 674 L HA 0.401 4.741 4.340 -0.000 0.000 0.282 674 L C -1.224 175.602 176.870 -0.075 0.000 1.051 674 L CA -1.756 53.107 54.840 0.039 0.000 0.804 674 L CB 1.952 44.011 42.059 -0.000 0.000 1.197 674 L HN 0.469 nan 8.230 nan 0.000 0.431 675 P HA 0.002 nan 4.420 nan 0.000 0.269 675 P C -0.042 177.070 177.300 -0.314 0.000 1.601 675 P CA 0.001 62.627 63.100 -0.791 0.000 0.831 675 P CB -0.610 30.420 31.700 -1.117 0.000 1.688 676 T N -3.412 111.049 114.554 -0.155 0.000 2.945 676 T HA 0.404 4.754 4.350 -0.000 0.000 0.286 676 T C -1.707 172.964 174.700 -0.050 0.000 1.025 676 T CA -2.278 59.771 62.100 -0.084 0.000 1.039 676 T CB 1.800 70.635 68.868 -0.054 0.000 1.068 676 T HN -0.187 nan 8.240 nan 0.000 0.497 677 P HA -0.034 nan 4.420 nan 0.000 0.223 677 P C 0.753 178.042 177.300 -0.018 0.000 1.151 677 P CA 0.925 64.014 63.100 -0.019 0.000 0.787 677 P CB 0.159 31.851 31.700 -0.013 0.000 0.788 678 E N -0.805 119.382 120.200 -0.020 0.000 2.502 678 E HA -0.041 4.308 4.350 -0.000 0.000 0.194 678 E C 0.913 177.503 176.600 -0.017 0.000 1.062 678 E CA 0.350 56.739 56.400 -0.017 0.000 0.867 678 E CB 0.090 29.780 29.700 -0.017 0.000 0.888 678 E HN 0.317 nan 8.360 nan 0.000 0.510 679 D N 0.517 120.907 120.400 -0.017 0.000 3.029 679 D HA 0.036 4.675 4.640 -0.000 0.000 0.181 679 D C 0.270 176.563 176.300 -0.012 0.000 1.356 679 D CA -0.080 53.914 54.000 -0.009 0.000 1.532 679 D CB -0.087 40.717 40.800 0.007 0.000 1.204 679 D HN -0.056 nan 8.370 nan 0.000 0.184 680 N N 0.116 118.838 118.700 0.036 0.000 2.241 680 N HA 0.059 4.799 4.740 -0.000 0.000 0.238 680 N C 1.385 177.015 175.510 0.201 0.000 1.244 680 N CA -0.082 53.012 53.050 0.073 0.000 0.880 680 N CB 0.956 39.540 38.487 0.161 0.000 1.179 680 N HN 0.013 nan 8.380 nan 0.000 0.513 681 L N 1.243 122.513 121.223 0.079 0.000 2.103 681 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 681 L C 1.272 178.242 176.870 0.168 0.000 1.080 681 L CA 2.034 56.911 54.840 0.061 0.000 0.764 681 L CB -0.464 41.585 42.059 -0.016 0.000 0.890 681 L HN 0.149 nan 8.230 nan 0.000 0.435 682 D N -1.373 119.097 120.400 0.117 0.000 2.097 682 D HA -0.184 4.456 4.640 -0.000 0.000 0.195 682 D C 2.089 178.559 176.300 0.284 0.000 0.989 682 D CA 1.529 55.618 54.000 0.149 0.000 0.827 682 D CB -0.278 40.575 40.800 0.088 0.000 0.966 682 D HN 0.481 nan 8.370 nan 0.000 0.456 683 H N -0.929 118.235 119.070 0.156 0.000 2.457 683 H HA -0.039 4.517 4.556 -0.000 0.000 0.294 683 H C 1.753 177.177 175.328 0.159 0.000 1.064 683 H CA 0.574 56.696 56.048 0.124 0.000 1.330 683 H CB -0.514 29.291 29.762 0.071 0.000 1.395 683 H HN 0.302 nan 8.280 nan 0.000 0.541 684 Y N 0.945 121.376 120.300 0.218 0.000 2.114 684 Y HA -0.151 4.398 4.550 -0.000 0.000 0.284 684 Y C 2.604 178.592 175.900 0.145 0.000 1.143 684 Y CA 1.384 59.602 58.100 0.197 0.000 1.135 684 Y CB 0.023 38.568 38.460 0.142 0.000 0.980 684 Y HN 0.050 nan 8.280 nan 0.000 0.499 685 R N -0.306 120.365 120.500 0.286 0.000 2.148 685 R HA -0.137 4.203 4.340 -0.000 0.000 0.227 685 R C 1.771 178.147 176.300 0.128 0.000 1.103 685 R CA 1.046 57.242 56.100 0.160 0.000 0.983 685 R CB -0.374 29.997 30.300 0.120 0.000 0.874 685 R HN 0.370 nan 8.270 nan 0.000 0.451 686 N N 0.920 119.711 118.700 0.152 0.000 2.409 686 N HA -0.067 4.673 4.740 -0.000 0.000 0.179 686 N C 0.653 176.221 175.510 0.096 0.000 1.032 686 N CA 0.962 54.079 53.050 0.110 0.000 0.898 686 N CB 0.243 38.800 38.487 0.116 0.000 0.971 686 N HN 0.133 nan 8.380 nan 0.000 0.441 687 S N -0.653 115.131 115.700 0.140 0.000 2.602 687 S HA 0.190 4.660 4.470 -0.000 0.000 0.246 687 S C 0.428 175.138 174.600 0.182 0.000 1.009 687 S CA -0.599 57.708 58.200 0.179 0.000 1.052 687 S CB -0.005 63.367 63.200 0.286 0.000 0.778 687 S HN -0.109 nan 8.310 nan 0.000 0.455 688 T N 1.344 115.953 114.554 0.091 0.000 2.910 688 T HA 0.311 4.660 4.350 -0.000 0.000 0.293 688 T C 1.352 176.066 174.700 0.023 0.000 1.015 688 T CA -0.387 61.732 62.100 0.033 0.000 1.094 688 T CB 1.493 70.360 68.868 -0.003 0.000 0.968 688 T HN 0.110 nan 8.240 nan 0.000 0.521 689 V N 3.677 123.592 119.914 0.002 0.000 2.446 689 V HA -0.104 4.016 4.120 -0.000 0.000 0.244 689 V C 2.527 178.585 176.094 -0.060 0.000 1.039 689 V CA 1.096 63.381 62.300 -0.025 0.000 1.045 689 V CB -0.389 31.415 31.823 -0.032 0.000 0.681 689 V HN 0.835 nan 8.190 nan 0.000 0.459 690 M N 1.020 120.575 119.600 -0.074 0.000 2.446 690 M HA -0.070 4.409 4.480 -0.000 0.000 0.263 690 M C 2.108 178.379 176.300 -0.049 0.000 1.066 690 M CA 1.929 57.175 55.300 -0.090 0.000 1.087 690 M CB -1.950 30.613 32.600 -0.062 0.000 1.406 690 M HN 0.526 nan 8.290 nan 0.000 0.459 691 S N 0.542 116.232 115.700 -0.018 0.000 2.561 691 S HA 0.051 4.520 4.470 -0.000 0.000 0.225 691 S C 1.663 176.275 174.600 0.020 0.000 0.977 691 S CA 0.077 58.279 58.200 0.005 0.000 0.926 691 S CB -0.298 62.911 63.200 0.015 0.000 0.769 691 S HN 0.642 nan 8.310 nan 0.000 0.533 692 R N 0.217 120.738 120.500 0.035 0.000 2.472 692 R HA 0.467 4.807 4.340 -0.000 0.000 0.279 692 R C 2.054 178.464 176.300 0.184 0.000 0.953 692 R CA 0.411 56.568 56.100 0.095 0.000 1.088 692 R CB -0.105 30.262 30.300 0.110 0.000 1.197 692 R HN 0.417 nan 8.270 nan 0.000 0.536 693 A N 2.019 124.869 122.820 0.050 0.000 1.896 693 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 693 A C 1.893 179.565 177.584 0.147 0.000 1.206 693 A CA 1.634 53.663 52.037 -0.014 0.000 0.647 693 A CB -0.267 18.685 19.000 -0.080 0.000 0.828 693 A HN 0.218 nan 8.150 nan 0.000 0.455 694 E N 0.108 120.371 120.200 0.105 0.000 2.068 694 E HA -0.233 4.116 4.350 -0.000 0.000 0.207 694 E C 1.660 178.340 176.600 0.133 0.000 1.032 694 E CA 1.608 58.070 56.400 0.103 0.000 0.839 694 E CB -0.595 29.145 29.700 0.065 0.000 0.758 694 E HN 0.637 nan 8.360 nan 0.000 0.457 695 N N 0.175 118.946 118.700 0.119 0.000 2.586 695 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 695 N C 1.380 176.896 175.510 0.009 0.000 1.085 695 N CA 0.531 53.608 53.050 0.044 0.000 0.921 695 N CB -0.393 38.079 38.487 -0.026 0.000 0.954 695 N HN 0.140 nan 8.380 nan 0.000 0.448 696 F N 1.361 121.287 119.950 -0.040 0.000 2.661 696 F HA 0.069 4.596 4.527 -0.000 0.000 0.298 696 F C 1.868 177.690 175.800 0.035 0.000 1.137 696 F CA 0.461 58.438 58.000 -0.038 0.000 1.454 696 F CB 0.098 39.053 39.000 -0.074 0.000 1.103 696 F HN -0.011 nan 8.300 nan 0.000 0.577 697 K N 0.158 120.668 120.400 0.183 0.000 2.147 697 K HA -0.179 4.141 4.320 -0.000 0.000 0.205 697 K C 0.911 177.573 176.600 0.102 0.000 1.049 697 K CA 1.139 57.511 56.287 0.142 0.000 0.936 697 K CB -0.420 32.143 32.500 0.105 0.000 0.722 697 K HN 0.408 nan 8.250 nan 0.000 0.446 698 Q N 1.103 120.939 119.800 0.060 0.000 2.247 698 Q HA 0.183 4.523 4.340 -0.000 0.000 0.234 698 Q C -0.784 175.237 176.000 0.034 0.000 0.899 698 Q CA -0.131 55.694 55.803 0.038 0.000 0.951 698 Q CB 0.443 29.189 28.738 0.012 0.000 1.057 698 Q HN -0.072 nan 8.270 nan 0.000 0.444 699 V N 0.248 120.204 119.914 0.069 0.000 3.098 699 V HA 0.118 4.237 4.120 -0.000 0.000 0.294 699 V C -1.111 175.105 176.094 0.205 0.000 1.351 699 V CA -0.973 61.380 62.300 0.088 0.000 0.999 699 V CB 2.786 34.579 31.823 -0.050 0.000 1.104 699 V HN 0.232 nan 8.190 nan 0.000 0.438 700 E N 2.696 123.045 120.200 0.249 0.000 2.229 700 E HA 0.446 4.796 4.350 -0.000 0.000 0.283 700 E C -1.698 175.253 176.600 0.585 0.000 1.030 700 E CA -0.362 56.264 56.400 0.377 0.000 0.836 700 E CB 1.562 31.427 29.700 0.275 0.000 1.068 700 E HN 0.493 nan 8.360 nan 0.000 0.401 701 Y N 3.382 123.937 120.300 0.424 0.000 2.425 701 Y HA 0.429 4.978 4.550 -0.000 0.000 0.344 701 Y C -1.738 174.241 175.900 0.132 0.000 0.969 701 Y CA -1.580 56.706 58.100 0.310 0.000 1.052 701 Y CB 1.108 39.805 38.460 0.394 0.000 1.215 701 Y HN 0.400 nan 8.280 nan 0.000 0.451 702 L N 7.840 128.829 121.223 -0.391 0.000 2.316 702 L HA 0.552 4.892 4.340 -0.000 0.000 0.280 702 L C -2.081 174.390 176.870 -0.664 0.000 1.006 702 L CA -0.738 53.711 54.840 -0.652 0.000 0.836 702 L CB 1.084 42.435 42.059 -1.181 0.000 1.221 702 L HN 0.641 nan 8.230 nan 0.000 0.418 703 L N 6.675 127.537 121.223 -0.602 0.000 2.265 703 L HA 0.627 4.967 4.340 -0.000 0.000 0.289 703 L C -0.845 175.901 176.870 -0.208 0.000 1.033 703 L CA 0.116 54.653 54.840 -0.505 0.000 0.814 703 L CB 0.744 42.474 42.059 -0.548 0.000 1.203 703 L HN 0.560 nan 8.230 nan 0.000 0.423 704 I N 4.405 124.868 120.570 -0.178 0.000 2.562 704 I HA 0.494 4.664 4.170 -0.000 0.000 0.301 704 I C -0.861 175.248 176.117 -0.014 0.000 1.003 704 I CA -0.782 60.475 61.300 -0.073 0.000 1.127 704 I CB 1.841 39.759 38.000 -0.136 0.000 1.304 704 I HN 0.660 nan 8.210 nan 0.000 0.446 705 H N 1.701 120.832 119.070 0.101 0.000 3.112 705 H HA 0.434 4.990 4.556 -0.000 0.000 0.347 705 H C -0.464 175.078 175.328 0.356 0.000 1.188 705 H CA -0.604 55.550 56.048 0.177 0.000 1.240 705 H CB 1.786 31.632 29.762 0.140 0.000 1.920 705 H HN 0.748 nan 8.280 nan 0.000 0.535 706 G N 1.646 110.784 108.800 0.564 0.000 2.390 706 G HA2 0.162 4.122 3.960 -0.000 0.000 0.270 706 G HA3 0.162 4.122 3.960 -0.000 0.000 0.270 706 G C 0.783 175.951 174.900 0.446 0.000 1.211 706 G CA 0.012 45.398 45.100 0.477 0.000 0.842 706 G HN 0.702 nan 8.290 nan 0.000 0.519 707 T N 1.822 116.508 114.554 0.220 0.000 2.788 707 T HA -0.030 4.319 4.350 -0.000 0.000 0.268 707 T C 2.030 176.666 174.700 -0.107 0.000 1.044 707 T CA 1.809 63.883 62.100 -0.042 0.000 1.139 707 T CB -0.048 68.819 68.868 -0.003 0.000 0.867 707 T HN 0.646 nan 8.240 nan 0.000 0.454 708 A N 1.110 123.880 122.820 -0.084 0.000 2.827 708 A HA 0.270 4.590 4.320 -0.000 0.000 0.300 708 A C 0.077 177.395 177.584 -0.444 0.000 1.237 708 A CA -0.453 51.298 52.037 -0.476 0.000 0.964 708 A CB -0.006 18.995 19.000 0.002 0.000 1.143 708 A HN 0.223 nan 8.150 nan 0.000 0.554 709 D N 1.497 121.816 120.400 -0.134 0.000 2.344 709 D HA 0.006 4.646 4.640 -0.000 0.000 0.253 709 D C 0.167 176.503 176.300 0.060 0.000 1.255 709 D CA 0.086 54.158 54.000 0.121 0.000 0.894 709 D CB 0.744 41.798 40.800 0.424 0.000 1.067 709 D HN 0.573 nan 8.370 nan 0.000 0.492 710 D N 2.409 122.860 120.400 0.085 0.000 2.349 710 D HA -0.120 4.520 4.640 -0.000 0.000 0.215 710 D C 0.907 177.191 176.300 -0.027 0.000 1.016 710 D CA -0.159 53.894 54.000 0.089 0.000 0.870 710 D CB 0.429 41.229 40.800 0.001 0.000 0.917 710 D HN 0.226 nan 8.370 nan 0.000 0.524 711 N N 0.792 119.537 118.700 0.075 0.000 2.319 711 N HA -0.038 4.702 4.740 -0.000 0.000 0.189 711 N C -0.060 175.380 175.510 -0.118 0.000 1.042 711 N CA 0.561 53.675 53.050 0.107 0.000 0.879 711 N CB 0.598 39.060 38.487 -0.042 0.000 1.052 711 N HN -0.081 nan 8.380 nan 0.000 0.446 712 V N 3.151 122.972 119.914 -0.154 0.000 2.311 712 V HA 0.187 4.306 4.120 -0.000 0.000 0.275 712 V C 0.187 176.363 176.094 0.137 0.000 1.022 712 V CA -0.603 61.695 62.300 -0.003 0.000 0.830 712 V CB 0.874 32.744 31.823 0.079 0.000 1.012 712 V HN 0.345 nan 8.190 nan 0.000 0.452 713 H N 4.807 123.919 119.070 0.070 0.000 2.571 713 H HA -0.057 4.499 4.556 -0.000 0.000 0.283 713 H C 1.414 176.720 175.328 -0.036 0.000 1.075 713 H CA 0.591 56.622 56.048 -0.027 0.000 1.191 713 H CB -0.519 29.128 29.762 -0.190 0.000 1.309 713 H HN 0.815 nan 8.280 nan 0.000 0.628 714 F N 0.595 120.314 119.950 -0.384 0.000 2.619 714 F HA -0.498 4.028 4.527 -0.000 0.000 0.604 714 F C 2.145 177.702 175.800 -0.406 0.000 0.498 714 F CA 2.251 59.729 58.000 -0.871 0.000 0.749 714 F CB -0.739 37.974 39.000 -0.478 0.000 1.621 714 F HN 0.360 nan 8.300 nan 0.000 0.256 715 Q N 0.571 120.284 119.800 -0.145 0.000 2.197 715 Q HA -0.271 4.068 4.340 -0.000 0.000 0.207 715 Q C 1.812 177.612 176.000 -0.334 0.000 0.984 715 Q CA 2.091 57.753 55.803 -0.234 0.000 0.869 715 Q CB -0.267 28.297 28.738 -0.290 0.000 0.906 715 Q HN 0.819 nan 8.270 nan 0.000 0.426 716 Q N -0.290 119.370 119.800 -0.234 0.000 2.046 716 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 716 Q C 2.260 178.186 176.000 -0.124 0.000 0.975 716 Q CA 1.642 57.421 55.803 -0.040 0.000 0.836 716 Q CB -0.039 28.747 28.738 0.080 0.000 0.896 716 Q HN 0.311 nan 8.270 nan 0.000 0.428 717 S N 1.006 116.526 115.700 -0.300 0.000 2.371 717 S HA -0.038 4.431 4.470 -0.000 0.000 0.224 717 S C 2.114 176.463 174.600 -0.417 0.000 1.029 717 S CA 0.815 58.821 58.200 -0.325 0.000 0.978 717 S CB -0.175 62.820 63.200 -0.343 0.000 0.833 717 S HN 0.474 nan 8.310 nan 0.000 0.466 718 A N 0.982 123.433 122.820 -0.615 0.000 1.978 718 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 718 A C 2.089 179.560 177.584 -0.188 0.000 1.170 718 A CA 1.645 53.447 52.037 -0.390 0.000 0.636 718 A CB -0.561 18.254 19.000 -0.308 0.000 0.810 718 A HN 0.384 nan 8.150 nan 0.000 0.448 719 Q N -0.181 119.523 119.800 -0.160 0.000 2.123 719 Q HA 0.044 4.383 4.340 -0.000 0.000 0.199 719 Q C 1.818 177.772 176.000 -0.075 0.000 0.966 719 Q CA 1.275 57.045 55.803 -0.054 0.000 0.845 719 Q CB -0.347 28.438 28.738 0.079 0.000 0.907 719 Q HN 0.717 nan 8.270 nan 0.000 0.439 720 I N -0.058 120.436 120.570 -0.126 0.000 2.113 720 I HA -0.319 3.850 4.170 -0.000 0.000 0.238 720 I C 2.262 178.217 176.117 -0.270 0.000 1.070 720 I CA 1.488 62.669 61.300 -0.198 0.000 1.332 720 I CB -0.625 37.253 38.000 -0.204 0.000 1.044 720 I HN 0.284 nan 8.210 nan 0.000 0.402 721 S N 0.749 116.289 115.700 -0.267 0.000 2.387 721 S HA -0.302 4.168 4.470 -0.000 0.000 0.230 721 S C 2.047 176.628 174.600 -0.032 0.000 1.035 721 S CA 1.591 59.668 58.200 -0.205 0.000 1.014 721 S CB -0.491 62.725 63.200 0.026 0.000 0.836 721 S HN 0.381 nan 8.310 nan 0.000 0.466 722 K N 1.324 121.700 120.400 -0.040 0.000 2.057 722 K HA 0.045 4.365 4.320 -0.000 0.000 0.206 722 K C 2.433 179.025 176.600 -0.014 0.000 1.050 722 K CA 1.044 57.330 56.287 -0.001 0.000 0.935 722 K CB -0.601 31.893 32.500 -0.009 0.000 0.715 722 K HN 0.482 nan 8.250 nan 0.000 0.439 723 A N 1.314 124.097 122.820 -0.063 0.000 1.877 723 A HA -0.146 4.173 4.320 -0.000 0.000 0.216 723 A C 2.082 179.623 177.584 -0.072 0.000 1.186 723 A CA 1.271 53.266 52.037 -0.070 0.000 0.620 723 A CB -0.631 18.302 19.000 -0.112 0.000 0.822 723 A HN 0.282 nan 8.150 nan 0.000 0.443 724 L N -0.470 120.675 121.223 -0.129 0.000 2.083 724 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 724 L C 2.489 179.421 176.870 0.104 0.000 1.083 724 L CA 1.042 55.841 54.840 -0.069 0.000 0.752 724 L CB -0.547 41.372 42.059 -0.234 0.000 0.899 724 L HN 0.259 nan 8.230 nan 0.000 0.433 725 V N -0.455 119.542 119.914 0.139 0.000 2.427 725 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 725 V C 2.006 178.147 176.094 0.077 0.000 1.051 725 V CA 1.674 64.057 62.300 0.139 0.000 1.048 725 V CB -0.487 31.414 31.823 0.129 0.000 0.666 725 V HN 0.425 nan 8.190 nan 0.000 0.456 726 D N 0.644 121.074 120.400 0.050 0.000 2.183 726 D HA -0.048 4.592 4.640 -0.000 0.000 0.203 726 D C 2.127 178.449 176.300 0.037 0.000 0.969 726 D CA 1.488 55.510 54.000 0.035 0.000 0.842 726 D CB -0.102 40.711 40.800 0.022 0.000 0.957 726 D HN 0.464 nan 8.370 nan 0.000 0.484 727 A N 0.105 122.948 122.820 0.039 0.000 2.167 727 A HA 0.319 4.639 4.320 -0.000 0.000 0.214 727 A C 1.662 179.284 177.584 0.062 0.000 1.151 727 A CA 1.135 53.198 52.037 0.045 0.000 0.735 727 A CB -0.278 18.744 19.000 0.038 0.000 0.802 727 A HN 0.246 nan 8.150 nan 0.000 0.467 728 G N -1.082 107.763 108.800 0.074 0.000 2.248 728 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.263 728 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.263 728 G C -0.168 174.796 174.900 0.105 0.000 1.082 728 G CA 0.134 45.282 45.100 0.079 0.000 0.863 728 G HN 0.899 nan 8.290 nan 0.000 0.495 729 V N 0.506 120.509 119.914 0.148 0.000 2.357 729 V HA 0.473 4.593 4.120 -0.000 0.000 0.284 729 V C 0.335 176.602 176.094 0.289 0.000 1.018 729 V CA -0.742 61.680 62.300 0.203 0.000 0.841 729 V CB 1.728 33.681 31.823 0.217 0.000 0.991 729 V HN 0.448 nan 8.190 nan 0.000 0.437 730 D N 4.042 124.573 120.400 0.218 0.000 2.339 730 D HA 0.576 5.216 4.640 -0.000 0.000 0.245 730 D C -0.510 175.977 176.300 0.310 0.000 1.115 730 D CA 0.339 54.432 54.000 0.155 0.000 0.917 730 D CB 0.804 41.649 40.800 0.076 0.000 1.192 730 D HN 0.398 nan 8.370 nan 0.000 0.428 731 F N -1.086 118.943 119.950 0.132 0.000 2.858 731 F HA 0.421 4.948 4.527 -0.000 0.000 0.319 731 F C -1.639 174.216 175.800 0.091 0.000 1.166 731 F CA -1.087 57.013 58.000 0.167 0.000 0.899 731 F CB 0.758 39.889 39.000 0.218 0.000 1.332 731 F HN 0.214 nan 8.300 nan 0.000 0.461 732 Q N 1.259 121.188 119.800 0.214 0.000 2.309 732 Q HA 0.845 5.184 4.340 -0.000 0.000 0.264 732 Q C -1.041 175.029 176.000 0.117 0.000 1.008 732 Q CA -1.142 54.689 55.803 0.048 0.000 0.853 732 Q CB 2.348 31.151 28.738 0.109 0.000 1.314 732 Q HN 0.962 nan 8.270 nan 0.000 0.448 733 A N 1.980 124.822 122.820 0.037 0.000 2.479 733 A HA 0.920 5.240 4.320 -0.000 0.000 0.296 733 A C -1.435 176.121 177.584 -0.048 0.000 1.121 733 A CA -0.609 51.471 52.037 0.072 0.000 0.743 733 A CB 1.921 21.053 19.000 0.219 0.000 1.323 733 A HN 0.630 nan 8.150 nan 0.000 0.415 734 M N 0.961 120.520 119.600 -0.069 0.000 2.296 734 M HA 0.529 5.008 4.480 -0.000 0.000 0.268 734 M C -2.120 174.095 176.300 -0.141 0.000 1.048 734 M CA -0.564 54.559 55.300 -0.295 0.000 0.966 734 M CB 1.067 33.420 32.600 -0.412 0.000 1.912 734 M HN 0.960 nan 8.290 nan 0.000 0.484 735 W N 4.336 125.502 121.300 -0.223 0.000 2.578 735 W HA 0.799 5.458 4.660 -0.000 0.000 0.346 735 W C -2.030 174.245 176.519 -0.405 0.000 1.075 735 W CA -0.955 56.334 57.345 -0.094 0.000 1.233 735 W CB 0.429 29.888 29.460 -0.002 0.000 1.358 735 W HN 0.624 nan 8.180 nan 0.000 0.574 736 Y N 2.214 122.673 120.300 0.265 0.000 2.376 736 Y HA 0.300 4.850 4.550 -0.000 0.000 0.326 736 Y C 0.492 176.503 175.900 0.186 0.000 0.970 736 Y CA -1.005 57.163 58.100 0.112 0.000 1.248 736 Y CB 1.489 39.971 38.460 0.036 0.000 1.117 736 Y HN 0.423 nan 8.280 nan 0.000 0.476 737 T N 4.491 119.193 114.554 0.247 0.000 2.822 737 T HA -0.047 4.303 4.350 -0.000 0.000 0.288 737 T C 0.180 174.935 174.700 0.092 0.000 0.991 737 T CA 0.649 62.824 62.100 0.125 0.000 1.176 737 T CB -0.162 68.717 68.868 0.018 0.000 0.951 737 T HN 0.694 nan 8.240 nan 0.000 0.526 738 D N 1.028 121.467 120.400 0.064 0.000 3.059 738 D HA -0.124 4.516 4.640 -0.000 0.000 0.220 738 D C 0.301 176.696 176.300 0.159 0.000 1.169 738 D CA 1.112 55.106 54.000 -0.011 0.000 0.902 738 D CB -0.354 40.265 40.800 -0.302 0.000 1.116 738 D HN 0.537 nan 8.370 nan 0.000 0.417 739 E N 0.477 120.790 120.200 0.189 0.000 2.319 739 E HA 0.235 4.585 4.350 -0.000 0.000 0.268 739 E C 0.654 177.382 176.600 0.214 0.000 1.050 739 E CA -0.399 56.127 56.400 0.211 0.000 0.878 739 E CB 1.126 30.958 29.700 0.220 0.000 1.066 739 E HN 0.076 nan 8.360 nan 0.000 0.406 740 D N -0.099 120.434 120.400 0.222 0.000 2.289 740 D HA -0.066 4.574 4.640 -0.000 0.000 0.266 740 D C 0.952 177.427 176.300 0.291 0.000 1.243 740 D CA 0.078 54.228 54.000 0.251 0.000 1.019 740 D CB 0.432 41.379 40.800 0.244 0.000 1.126 740 D HN 0.458 nan 8.370 nan 0.000 0.541 741 H N -1.536 117.667 119.070 0.221 0.000 2.535 741 H HA 0.204 4.760 4.556 -0.000 0.000 0.273 741 H C 1.425 176.952 175.328 0.331 0.000 0.983 741 H CA 1.567 57.765 56.048 0.250 0.000 1.238 741 H CB 0.023 29.927 29.762 0.237 0.000 1.412 741 H HN 0.299 nan 8.280 nan 0.000 0.562 742 G N -0.293 108.611 108.800 0.174 0.000 3.020 742 G HA2 0.106 4.066 3.960 -0.000 0.000 0.217 742 G HA3 0.106 4.066 3.960 -0.000 0.000 0.217 742 G C 0.509 175.541 174.900 0.219 0.000 1.144 742 G CA 0.116 45.249 45.100 0.055 0.000 0.760 742 G HN 0.464 nan 8.290 nan 0.000 0.548 743 I N 0.151 120.852 120.570 0.219 0.000 5.158 743 I HA -0.340 3.830 4.170 -0.000 0.000 0.126 743 I C 1.618 177.809 176.117 0.122 0.000 1.344 743 I CA 0.203 61.581 61.300 0.129 0.000 2.637 743 I CB -1.134 36.875 38.000 0.014 0.000 2.338 743 I HN 0.258 nan 8.210 nan 0.000 0.320 744 A N 1.012 123.885 122.820 0.088 0.000 2.348 744 A HA 0.270 4.590 4.320 -0.000 0.000 0.224 744 A C 1.191 178.793 177.584 0.031 0.000 1.227 744 A CA 0.543 52.593 52.037 0.023 0.000 0.885 744 A CB 0.071 19.036 19.000 -0.058 0.000 0.933 744 A HN 0.628 nan 8.150 nan 0.000 0.506 745 S N -0.317 115.427 115.700 0.073 0.000 2.560 745 S HA 0.181 4.651 4.470 -0.000 0.000 0.284 745 S C 1.176 175.830 174.600 0.089 0.000 1.327 745 S CA 0.307 58.550 58.200 0.072 0.000 1.055 745 S CB 1.113 64.368 63.200 0.093 0.000 0.868 745 S HN 0.449 nan 8.310 nan 0.000 0.506 746 S N 2.869 118.610 115.700 0.068 0.000 2.401 746 S HA -0.268 4.202 4.470 -0.000 0.000 0.236 746 S C 2.208 176.874 174.600 0.111 0.000 1.058 746 S CA 2.803 61.054 58.200 0.085 0.000 1.151 746 S CB -1.702 61.526 63.200 0.046 0.000 1.049 746 S HN 1.110 nan 8.310 nan 0.000 0.432 747 T N 0.283 114.889 114.554 0.088 0.000 2.684 747 T HA 0.001 4.351 4.350 -0.000 0.000 0.267 747 T C 1.978 176.749 174.700 0.120 0.000 1.036 747 T CA 1.844 64.001 62.100 0.094 0.000 1.148 747 T CB -1.201 67.715 68.868 0.079 0.000 0.863 747 T HN 0.560 nan 8.240 nan 0.000 0.436 748 A N 1.759 124.640 122.820 0.101 0.000 1.908 748 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 748 A C 2.250 179.830 177.584 -0.007 0.000 1.181 748 A CA 2.331 54.392 52.037 0.040 0.000 0.627 748 A CB -1.388 17.613 19.000 0.001 0.000 0.818 748 A HN 0.794 nan 8.150 nan 0.000 0.445 749 H N -0.006 119.058 119.070 -0.010 0.000 2.319 749 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 749 H C 2.087 177.491 175.328 0.126 0.000 1.092 749 H CA 2.412 58.495 56.048 0.058 0.000 1.302 749 H CB -0.317 29.484 29.762 0.065 0.000 1.373 749 H HN 0.622 nan 8.280 nan 0.000 0.497 750 Q N -1.111 118.651 119.800 -0.064 0.000 2.079 750 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 750 Q C 2.239 178.219 176.000 -0.033 0.000 0.974 750 Q CA 1.271 57.002 55.803 -0.121 0.000 0.840 750 Q CB -0.216 28.498 28.738 -0.039 0.000 0.898 750 Q HN 0.625 nan 8.270 nan 0.000 0.430 751 H N 0.884 119.933 119.070 -0.035 0.000 2.389 751 H HA -0.052 4.504 4.556 -0.000 0.000 0.299 751 H C 1.929 177.268 175.328 0.019 0.000 1.081 751 H CA 1.183 57.251 56.048 0.033 0.000 1.345 751 H CB 0.038 29.882 29.762 0.138 0.000 1.393 751 H HN 0.285 nan 8.280 nan 0.000 0.520 752 I N -0.115 120.464 120.570 0.016 0.000 2.439 752 I HA -0.272 3.898 4.170 -0.000 0.000 0.251 752 I C 1.501 177.404 176.117 -0.358 0.000 1.139 752 I CA 1.018 62.210 61.300 -0.179 0.000 1.438 752 I CB -0.211 37.453 38.000 -0.561 0.000 1.085 752 I HN 0.129 nan 8.210 nan 0.000 0.427 753 Y N 0.092 120.180 120.300 -0.353 0.000 2.475 753 Y HA -0.070 4.480 4.550 -0.000 0.000 0.289 753 Y C 2.727 178.360 175.900 -0.445 0.000 1.121 753 Y CA 1.047 58.783 58.100 -0.607 0.000 1.257 753 Y CB 0.057 38.128 38.460 -0.648 0.000 1.026 753 Y HN 0.124 nan 8.280 nan 0.000 0.555 754 S N -1.271 114.316 115.700 -0.189 0.000 2.371 754 S HA -0.200 4.269 4.470 -0.000 0.000 0.224 754 S C 1.629 176.024 174.600 -0.342 0.000 1.029 754 S CA 1.239 59.260 58.200 -0.298 0.000 0.978 754 S CB -0.367 62.692 63.200 -0.234 0.000 0.833 754 S HN 0.529 nan 8.310 nan 0.000 0.466 755 H N 1.143 120.066 119.070 -0.245 0.000 2.423 755 H HA 0.164 4.720 4.556 -0.000 0.000 0.297 755 H C 1.916 177.214 175.328 -0.050 0.000 1.075 755 H CA 1.467 57.456 56.048 -0.098 0.000 1.342 755 H CB -0.102 29.640 29.762 -0.033 0.000 1.395 755 H HN 0.290 nan 8.280 nan 0.000 0.530 756 M N -1.188 118.349 119.600 -0.105 0.000 2.288 756 M HA -0.090 4.390 4.480 -0.000 0.000 0.266 756 M C 2.338 178.750 176.300 0.186 0.000 1.072 756 M CA 1.014 56.272 55.300 -0.071 0.000 1.132 756 M CB 0.265 32.607 32.600 -0.430 0.000 1.386 756 M HN 0.161 nan 8.290 nan 0.000 0.432 757 S N -0.528 115.269 115.700 0.163 0.000 2.355 757 S HA -0.136 4.334 4.470 -0.000 0.000 0.222 757 S C 1.709 176.388 174.600 0.132 0.000 1.031 757 S CA 1.025 59.407 58.200 0.303 0.000 0.993 757 S CB -0.512 62.815 63.200 0.211 0.000 0.859 757 S HN 0.462 nan 8.310 nan 0.000 0.453 758 H N -0.082 119.046 119.070 0.097 0.000 2.421 758 H HA -0.014 4.542 4.556 -0.000 0.000 0.298 758 H C 1.895 177.220 175.328 -0.005 0.000 1.087 758 H CA 0.986 57.045 56.048 0.018 0.000 1.330 758 H CB -0.693 29.037 29.762 -0.054 0.000 1.388 758 H HN 0.438 nan 8.280 nan 0.000 0.526 759 F N 1.296 121.223 119.950 -0.039 0.000 2.102 759 F HA -0.147 4.379 4.527 -0.000 0.000 0.298 759 F C 2.293 178.048 175.800 -0.075 0.000 1.105 759 F CA 0.963 58.916 58.000 -0.079 0.000 1.239 759 F CB -0.501 38.439 39.000 -0.100 0.000 0.991 759 F HN -0.016 nan 8.300 nan 0.000 0.474 760 L N -0.139 121.067 121.223 -0.029 0.000 2.017 760 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 760 L C 2.541 179.258 176.870 -0.254 0.000 1.073 760 L CA 1.583 56.247 54.840 -0.294 0.000 0.745 760 L CB -0.926 41.039 42.059 -0.157 0.000 0.894 760 L HN 0.220 nan 8.230 nan 0.000 0.432 761 Q N -0.375 119.406 119.800 -0.031 0.000 2.077 761 Q HA -0.294 4.046 4.340 -0.000 0.000 0.206 761 Q C 2.243 178.232 176.000 -0.018 0.000 0.989 761 Q CA 1.782 57.612 55.803 0.045 0.000 0.853 761 Q CB -0.199 28.612 28.738 0.120 0.000 0.907 761 Q HN 0.575 nan 8.270 nan 0.000 0.418 762 Q N -0.262 119.480 119.800 -0.096 0.000 2.050 762 Q HA -0.187 4.152 4.340 -0.000 0.000 0.202 762 Q C 2.426 178.316 176.000 -0.184 0.000 0.980 762 Q CA 1.417 57.141 55.803 -0.132 0.000 0.840 762 Q CB -0.368 28.266 28.738 -0.173 0.000 0.898 762 Q HN 0.455 nan 8.270 nan 0.000 0.424 763 c N -0.086 118.291 118.600 -0.372 0.000 2.435 763 c HA -0.077 4.493 4.570 -0.000 0.000 0.279 763 c C 1.926 175.993 174.090 -0.038 0.000 1.321 763 c CA 0.420 56.539 56.329 -0.349 0.000 1.752 763 c CB -0.908 41.208 42.510 -0.656 0.000 1.959 763 c HN 0.481 nan 8.230 nan 0.000 0.500 764 F N 1.019 120.919 119.950 -0.084 0.000 2.660 764 F HA 0.129 4.656 4.527 -0.000 0.000 0.302 764 F C 1.453 177.232 175.800 -0.035 0.000 1.103 764 F CA 0.077 58.052 58.000 -0.041 0.000 1.340 764 F CB -0.070 38.916 39.000 -0.024 0.000 1.048 764 F HN 0.178 nan 8.300 nan 0.000 0.551 765 S N 0.723 116.500 115.700 0.128 0.000 3.533 765 S HA -0.225 4.245 4.470 -0.000 0.000 0.347 765 S C 0.590 175.228 174.600 0.064 0.000 1.101 765 S CA 0.401 58.639 58.200 0.064 0.000 1.009 765 S CB -2.187 61.041 63.200 0.047 0.000 0.916 765 S HN 0.369 nan 8.310 nan 0.000 0.496 766 L N -0.149 121.127 121.223 0.089 0.000 2.657 766 L HA 0.554 4.894 4.340 -0.000 0.000 0.152 766 L C 1.388 178.293 176.870 0.058 0.000 1.773 766 L CA -0.657 54.228 54.840 0.075 0.000 3.024 766 L CB -0.318 41.804 42.059 0.105 0.000 3.023 766 L HN 0.496 nan 8.230 nan 0.000 0.780 767 R N 0.000 120.543 120.500 0.071 0.000 2.786 767 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 767 R CA 0.000 56.141 56.100 0.068 0.000 0.921 767 R CB 0.000 30.343 30.300 0.072 0.000 0.687 767 R HN 0.000 nan 8.270 nan 0.000 0.535