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 1c82_1_A DATA FIRST_RESID 171 DATA SEQUENCE KDTYTDRLDD WNGIIAGNQY YDSKNDQMAK LNQELEGKVA DSLSSISSQA DATA SEQUENCE DRIYLWEKFS NYKTSANLTA TYRKLEEMAK QVTNPSSRYY QDETVVRTVR DATA SEQUENCE DSMEWMHKHV YNSEKSIVGN WWDYEIGTPR AINNTLSLMK EYFSDEEIKK DATA SEQUENCE YTDVIEKFVP DPEHFRKTTD NPFKALGGNL VDMGRVKVIA GLLRKDDQEI DATA SEQUENCE SSTIRSIEQV FKLVDQGEGF YQDGSYIDHT NVAYTGAYGN VLIDGLSQLL DATA SEQUENCE PVIQKTKNPI DKDKMQTMYH WIDKSFAPLL VNGELMDMSR GRSISRANSE DATA SEQUENCE GHVAAVEVLR GIHRIADMSE GETKQRLQSL VKTIVQSDSY YDVFKNLKTY DATA SEQUENCE KDISLMQSLL SDAGVASVPR TSYLSAFNKM DKTAMYNAEK GFGFGLSLFS DATA SEQUENCE SRTLNYEHMN KENKRGWYTS DGMFYLYNGD LSHYSDGYWP TVNPYKMPGT DATA SEQUENCE TETDAKRADS DTGKVLPSAF VGTSKLDDAN ATATMDFTNW NQTLTAHKSW DATA SEQUENCE FMLKDKIAFL GSNIQNTSTD TAATTIDQRK LESSNPYKVY VNDKEASLTE DATA SEQUENCE QEKDYPETQS VFLESSDSKK NIGYFFFKKS SISMSKALQK GAWKDINEGQ DATA SEQUENCE SDKEVENEFL TISQAHKQNG DSYGYMLIPN VDRATFNQMI KELESSLIEN DATA SEQUENCE NETLQSVYDA KQGVWGIVKY DDSVSTISNQ FQVLKRGVYT IRKEGDEYKI DATA SEQUENCE AYYNPETQES APDQEVFKK 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 171 K HA 0.000 nan 4.320 nan 0.000 0.191 171 K C 0.000 176.638 176.600 0.063 0.000 0.988 171 K CA 0.000 56.318 56.287 0.052 0.000 0.838 171 K CB 0.000 32.539 32.500 0.065 0.000 1.064 172 D N -1.517 118.933 120.400 0.084 0.000 2.921 172 D HA 0.080 4.595 4.640 -0.208 0.000 0.329 172 D C 0.656 176.976 176.300 0.033 0.000 1.293 172 D CA 0.181 54.228 54.000 0.078 0.000 0.964 172 D CB 0.145 41.047 40.800 0.169 0.000 1.435 172 D HN 0.147 nan 8.370 nan 0.000 0.548 173 T N -2.927 111.581 114.554 -0.076 0.000 2.915 173 T HA -0.136 4.089 4.350 -0.208 0.000 0.269 173 T C 1.488 176.092 174.700 -0.160 0.000 1.071 173 T CA 1.097 63.099 62.100 -0.164 0.000 1.132 173 T CB -0.752 67.942 68.868 -0.290 0.000 0.878 173 T HN 0.401 nan 8.240 nan 0.000 0.479 174 Y N 2.048 122.355 120.300 0.013 0.000 2.200 174 Y HA 0.001 4.424 4.550 -0.211 0.000 0.290 174 Y C 3.136 179.050 175.900 0.024 0.000 1.137 174 Y CA 1.225 59.331 58.100 0.010 0.000 1.163 174 Y CB -1.144 37.318 38.460 0.003 0.000 0.988 174 Y HN 0.180 nan 8.280 nan 0.000 0.518 175 T N -0.339 114.331 114.554 0.192 0.000 2.867 175 T HA -0.146 4.079 4.350 -0.208 0.000 0.268 175 T C 1.224 175.983 174.700 0.098 0.000 1.057 175 T CA 1.521 63.699 62.100 0.130 0.000 1.136 175 T CB -0.323 68.608 68.868 0.105 0.000 0.874 175 T HN 0.285 nan 8.240 nan 0.000 0.466 176 D N 0.928 121.369 120.400 0.069 0.000 2.097 176 D HA -0.026 4.489 4.640 -0.208 0.000 0.197 176 D C 2.453 178.796 176.300 0.072 0.000 0.984 176 D CA 0.774 54.805 54.000 0.052 0.000 0.826 176 D CB -0.091 40.719 40.800 0.017 0.000 0.973 176 D HN 0.164 nan 8.370 nan 0.000 0.460 177 R N 0.306 120.846 120.500 0.067 0.000 2.092 177 R HA 0.007 4.222 4.340 -0.208 0.000 0.231 177 R C 2.507 178.898 176.300 0.151 0.000 1.119 177 R CA 0.309 56.462 56.100 0.088 0.000 0.970 177 R CB -0.829 29.501 30.300 0.050 0.000 0.864 177 R HN 0.307 nan 8.270 nan 0.000 0.440 178 L N 0.776 122.090 121.223 0.151 0.000 2.275 178 L HA -0.147 4.068 4.340 -0.208 0.000 0.215 178 L C 1.713 178.722 176.870 0.232 0.000 1.119 178 L CA 0.895 55.859 54.840 0.207 0.000 0.790 178 L CB -0.313 41.843 42.059 0.162 0.000 0.919 178 L HN 0.046 nan 8.230 nan 0.000 0.443 179 D N -0.029 120.470 120.400 0.165 0.000 2.123 179 D HA -0.150 4.365 4.640 -0.208 0.000 0.200 179 D C 1.733 178.121 176.300 0.147 0.000 0.976 179 D CA 1.027 55.106 54.000 0.132 0.000 0.831 179 D CB -0.019 40.834 40.800 0.088 0.000 0.974 179 D HN 0.227 nan 8.370 nan 0.000 0.469 180 D N -0.102 120.397 120.400 0.165 0.000 2.117 180 D HA -0.155 4.360 4.640 -0.208 0.000 0.197 180 D C 1.853 178.295 176.300 0.237 0.000 0.987 180 D CA 0.470 54.577 54.000 0.177 0.000 0.829 180 D CB -0.421 40.480 40.800 0.168 0.000 0.961 180 D HN 0.405 nan 8.370 nan 0.000 0.460 181 W N 1.615 122.954 121.300 0.066 0.000 2.355 181 W HA -0.182 4.349 4.660 -0.216 0.000 0.309 181 W C 1.464 178.024 176.519 0.069 0.000 1.206 181 W CA 0.764 58.147 57.345 0.063 0.000 1.284 181 W CB -0.055 29.438 29.460 0.056 0.000 1.145 181 W HN -0.060 nan 8.180 nan 0.000 0.502 182 N N 0.423 119.196 118.700 0.121 0.000 2.223 182 N HA -0.124 4.491 4.740 -0.208 0.000 0.185 182 N C 1.869 177.371 175.510 -0.013 0.000 1.016 182 N CA 1.845 54.900 53.050 0.008 0.000 0.863 182 N CB -1.257 37.288 38.487 0.097 0.000 0.983 182 N HN 0.268 nan 8.380 nan 0.000 0.429 183 G N 0.266 109.099 108.800 0.055 0.000 2.443 183 G HA2 -0.092 3.743 3.960 -0.208 0.000 0.219 183 G HA3 -0.092 3.743 3.960 -0.208 0.000 0.219 183 G C 1.591 176.577 174.900 0.143 0.000 1.131 183 G CA 0.234 45.419 45.100 0.143 0.000 0.775 183 G HN 0.271 nan 8.290 nan 0.000 0.547 184 I N 0.707 121.253 120.570 -0.039 0.000 2.494 184 I HA 0.090 4.135 4.170 -0.208 0.000 0.250 184 I C 2.427 178.362 176.117 -0.303 0.000 1.112 184 I CA 0.500 61.707 61.300 -0.154 0.000 1.438 184 I CB 0.034 37.916 38.000 -0.197 0.000 1.111 184 I HN 0.259 nan 8.210 nan 0.000 0.431 185 I N -2.020 118.251 120.570 -0.498 0.000 3.419 185 I HA 0.243 4.288 4.170 -0.208 0.000 0.286 185 I C 1.804 177.757 176.117 -0.273 0.000 1.268 185 I CA 0.933 61.942 61.300 -0.486 0.000 1.414 185 I CB -0.028 37.532 38.000 -0.734 0.000 1.074 185 I HN 0.046 nan 8.210 nan 0.000 0.457 186 A N 0.977 123.687 122.820 -0.183 0.000 1.773 186 A HA 0.557 4.752 4.320 -0.208 0.000 0.210 186 A C 1.770 179.322 177.584 -0.053 0.000 1.775 186 A CA 0.589 52.543 52.037 -0.138 0.000 1.157 186 A CB -0.301 18.663 19.000 -0.061 0.000 1.119 186 A HN 0.732 nan 8.150 nan 0.000 0.501 187 G N 0.830 109.700 108.800 0.117 0.000 2.198 187 G HA2 -0.274 3.561 3.960 -0.208 0.000 0.257 187 G HA3 -0.274 3.561 3.960 -0.208 0.000 0.257 187 G C 0.448 175.650 174.900 0.502 0.000 1.042 187 G CA 0.666 46.001 45.100 0.392 0.000 0.791 187 G HN 0.354 nan 8.290 nan 0.000 0.502 188 N N 0.444 119.336 118.700 0.321 0.000 2.149 188 N HA -0.126 4.489 4.740 -0.208 0.000 0.188 188 N C 2.486 178.060 175.510 0.107 0.000 1.019 188 N CA 1.716 54.934 53.050 0.281 0.000 0.857 188 N CB -0.289 38.289 38.487 0.152 0.000 0.997 188 N HN 0.938 nan 8.380 nan 0.000 0.426 189 Q N -0.461 119.301 119.800 -0.063 0.000 2.297 189 Q HA -0.159 4.056 4.340 -0.208 0.000 0.208 189 Q C 0.649 176.498 176.000 -0.252 0.000 0.981 189 Q CA 1.309 56.972 55.803 -0.233 0.000 0.876 189 Q CB -0.375 28.105 28.738 -0.430 0.000 0.921 189 Q HN 0.459 nan 8.270 nan 0.000 0.446 190 Y N -0.978 119.380 120.300 0.098 0.000 2.466 190 Y HA 0.168 4.595 4.550 -0.205 0.000 0.272 190 Y C 0.326 176.216 175.900 -0.017 0.000 1.169 190 Y CA -0.929 57.206 58.100 0.059 0.000 1.285 190 Y CB -0.196 38.327 38.460 0.104 0.000 1.078 190 Y HN 0.126 nan 8.280 nan 0.000 0.523 191 Y N 2.348 122.587 120.300 -0.103 0.000 2.578 191 Y HA 0.221 4.648 4.550 -0.206 0.000 0.339 191 Y C -0.115 175.642 175.900 -0.238 0.000 1.231 191 Y CA -0.228 57.626 58.100 -0.409 0.000 1.461 191 Y CB 0.486 38.575 38.460 -0.619 0.000 1.323 191 Y HN 0.107 nan 8.280 nan 0.000 0.590 192 D N 2.477 122.218 120.400 -1.098 0.000 2.763 192 D HA 0.117 4.632 4.640 -0.208 0.000 0.235 192 D C 0.170 175.893 176.300 -0.962 0.000 1.334 192 D CA 0.011 53.593 54.000 -0.698 0.000 0.950 192 D CB 1.167 41.736 40.800 -0.384 0.000 1.433 192 D HN 0.503 nan 8.370 nan 0.000 0.580 193 S N 3.424 118.775 115.700 -0.581 0.000 2.423 193 S HA -0.136 4.209 4.470 -0.208 0.000 0.231 193 S C 1.387 175.852 174.600 -0.225 0.000 1.014 193 S CA 0.664 58.683 58.200 -0.301 0.000 0.965 193 S CB -0.119 63.068 63.200 -0.022 0.000 0.785 193 S HN 0.497 nan 8.310 nan 0.000 0.495 194 K N 1.340 121.610 120.400 -0.216 0.000 2.486 194 K HA 0.143 4.338 4.320 -0.208 0.000 0.194 194 K C 0.468 176.963 176.600 -0.175 0.000 1.033 194 K CA 0.061 56.256 56.287 -0.154 0.000 1.004 194 K CB -0.125 32.302 32.500 -0.121 0.000 0.798 194 K HN 0.312 nan 8.250 nan 0.000 0.495 195 N N 1.971 120.519 118.700 -0.254 0.000 2.415 195 N HA -0.029 4.586 4.740 -0.208 0.000 0.246 195 N C -0.443 174.938 175.510 -0.215 0.000 1.078 195 N CA 0.142 53.048 53.050 -0.241 0.000 0.942 195 N CB 1.056 39.365 38.487 -0.296 0.000 1.140 195 N HN 0.021 nan 8.380 nan 0.000 0.501 196 D N 2.224 122.521 120.400 -0.172 0.000 2.106 196 D HA -0.224 4.291 4.640 -0.208 0.000 0.191 196 D C 1.484 177.692 176.300 -0.153 0.000 0.997 196 D CA 1.501 55.415 54.000 -0.144 0.000 0.834 196 D CB 0.160 40.877 40.800 -0.138 0.000 0.956 196 D HN 0.521 nan 8.370 nan 0.000 0.448 197 Q N -0.231 119.423 119.800 -0.244 0.000 2.084 197 Q HA -0.072 4.143 4.340 -0.208 0.000 0.202 197 Q C 2.326 178.276 176.000 -0.083 0.000 0.978 197 Q CA 1.034 56.670 55.803 -0.277 0.000 0.844 197 Q CB -0.354 27.989 28.738 -0.658 0.000 0.898 197 Q HN 0.472 nan 8.270 nan 0.000 0.426 198 M N -0.328 119.231 119.600 -0.068 0.000 2.099 198 M HA -0.117 4.238 4.480 -0.208 0.000 0.262 198 M C 2.233 178.677 176.300 0.240 0.000 1.067 198 M CA 1.527 56.883 55.300 0.093 0.000 1.124 198 M CB -0.456 32.004 32.600 -0.234 0.000 1.353 198 M HN 0.162 nan 8.290 nan 0.000 0.410 199 A N 0.188 123.047 122.820 0.064 0.000 2.024 199 A HA -0.213 3.983 4.320 -0.208 0.000 0.220 199 A C 2.133 179.809 177.584 0.152 0.000 1.164 199 A CA 1.893 54.037 52.037 0.177 0.000 0.643 199 A CB -0.656 18.369 19.000 0.042 0.000 0.806 199 A HN 0.461 nan 8.150 nan 0.000 0.451 200 K N -0.907 119.548 120.400 0.091 0.000 2.097 200 K HA -0.078 4.117 4.320 -0.208 0.000 0.205 200 K C 1.870 178.532 176.600 0.104 0.000 1.050 200 K CA 1.323 57.650 56.287 0.067 0.000 0.938 200 K CB -0.214 32.297 32.500 0.017 0.000 0.718 200 K HN 0.382 nan 8.250 nan 0.000 0.442 201 L N 1.792 123.115 121.223 0.168 0.000 2.109 201 L HA -0.116 4.099 4.340 -0.208 0.000 0.207 201 L C 1.891 178.873 176.870 0.187 0.000 1.086 201 L CA 1.668 56.605 54.840 0.162 0.000 0.760 201 L CB -0.810 41.359 42.059 0.183 0.000 0.910 201 L HN 0.274 nan 8.230 nan 0.000 0.437 202 N N -0.785 118.097 118.700 0.304 0.000 2.084 202 N HA -0.287 4.328 4.740 -0.208 0.000 0.190 202 N C 1.913 177.480 175.510 0.095 0.000 1.030 202 N CA 1.583 54.745 53.050 0.187 0.000 0.849 202 N CB -0.141 38.374 38.487 0.047 0.000 1.012 202 N HN 0.614 nan 8.380 nan 0.000 0.423 203 Q N 0.835 120.692 119.800 0.095 0.000 2.170 203 Q HA -0.193 4.022 4.340 -0.208 0.000 0.203 203 Q C 1.851 177.884 176.000 0.055 0.000 0.976 203 Q CA 1.381 57.220 55.803 0.061 0.000 0.858 203 Q CB -0.065 28.704 28.738 0.051 0.000 0.907 203 Q HN 0.528 nan 8.270 nan 0.000 0.433 204 E N 0.028 120.261 120.200 0.055 0.000 2.107 204 E HA -0.160 4.065 4.350 -0.208 0.000 0.191 204 E C 2.068 178.687 176.600 0.033 0.000 0.982 204 E CA 0.598 57.020 56.400 0.036 0.000 0.809 204 E CB -0.096 29.620 29.700 0.027 0.000 0.756 204 E HN 0.407 nan 8.360 nan 0.000 0.459 205 L N 0.917 122.164 121.223 0.040 0.000 2.141 205 L HA -0.127 4.088 4.340 -0.208 0.000 0.209 205 L C 2.611 179.525 176.870 0.072 0.000 1.094 205 L CA 0.828 55.688 54.840 0.033 0.000 0.763 205 L CB -0.279 41.798 42.059 0.030 0.000 0.908 205 L HN 0.155 nan 8.230 nan 0.000 0.437 206 E N 0.199 120.460 120.200 0.102 0.000 2.051 206 E HA -0.176 4.049 4.350 -0.208 0.000 0.192 206 E C 2.178 178.879 176.600 0.169 0.000 0.991 206 E CA 1.457 57.965 56.400 0.180 0.000 0.799 206 E CB -0.425 29.336 29.700 0.102 0.000 0.748 206 E HN 0.508 nan 8.360 nan 0.000 0.449 207 G N 1.411 110.267 108.800 0.093 0.000 2.450 207 G HA2 -0.276 3.559 3.960 -0.208 0.000 0.220 207 G HA3 -0.276 3.559 3.960 -0.208 0.000 0.220 207 G C 1.661 176.590 174.900 0.047 0.000 1.130 207 G CA 0.807 45.949 45.100 0.069 0.000 0.760 207 G HN 0.208 nan 8.290 nan 0.000 0.557 208 K N -0.314 120.100 120.400 0.024 0.000 2.062 208 K HA 0.043 4.238 4.320 -0.208 0.000 0.205 208 K C 2.591 179.164 176.600 -0.045 0.000 1.051 208 K CA 0.862 57.136 56.287 -0.021 0.000 0.941 208 K CB -0.152 32.323 32.500 -0.042 0.000 0.719 208 K HN 0.199 nan 8.250 nan 0.000 0.440 209 V N 1.113 121.002 119.914 -0.042 0.000 2.427 209 V HA -0.201 3.794 4.120 -0.208 0.000 0.248 209 V C 2.225 178.236 176.094 -0.139 0.000 1.051 209 V CA 1.925 64.134 62.300 -0.153 0.000 1.048 209 V CB -0.483 31.147 31.823 -0.322 0.000 0.666 209 V HN 0.337 nan 8.190 nan 0.000 0.456 210 A N -0.022 122.809 122.820 0.017 0.000 1.969 210 A HA -0.211 3.984 4.320 -0.208 0.000 0.218 210 A C 1.929 179.555 177.584 0.070 0.000 1.169 210 A CA 1.891 53.994 52.037 0.109 0.000 0.635 210 A CB -0.468 18.654 19.000 0.203 0.000 0.810 210 A HN 0.543 nan 8.150 nan 0.000 0.445 211 D N -0.352 120.075 120.400 0.046 0.000 2.194 211 D HA -0.026 4.489 4.640 -0.208 0.000 0.204 211 D C 2.204 178.555 176.300 0.084 0.000 0.964 211 D CA 1.349 55.378 54.000 0.049 0.000 0.846 211 D CB -0.247 40.563 40.800 0.017 0.000 0.962 211 D HN 0.369 nan 8.370 nan 0.000 0.490 212 S N 0.488 116.221 115.700 0.054 0.000 2.345 212 S HA -0.004 4.341 4.470 -0.208 0.000 0.219 212 S C 2.183 177.043 174.600 0.434 0.000 1.031 212 S CA 0.425 58.730 58.200 0.174 0.000 0.984 212 S CB -0.217 62.953 63.200 -0.050 0.000 0.874 212 S HN 0.207 nan 8.310 nan 0.000 0.451 213 L N 1.790 123.124 121.223 0.185 0.000 2.131 213 L HA -0.092 4.123 4.340 -0.208 0.000 0.210 213 L C 2.613 179.541 176.870 0.096 0.000 1.092 213 L CA 1.364 56.269 54.840 0.109 0.000 0.759 213 L CB -0.558 41.491 42.059 -0.015 0.000 0.903 213 L HN 0.434 nan 8.230 nan 0.000 0.435 214 S N -1.574 114.194 115.700 0.113 0.000 2.501 214 S HA -0.065 4.280 4.470 -0.208 0.000 0.220 214 S C 1.878 176.536 174.600 0.097 0.000 0.997 214 S CA 0.672 58.923 58.200 0.086 0.000 0.919 214 S CB 0.048 63.294 63.200 0.078 0.000 0.778 214 S HN 0.473 nan 8.310 nan 0.000 0.523 215 S N 0.082 115.892 115.700 0.184 0.000 2.526 215 S HA 0.373 4.718 4.470 -0.208 0.000 0.220 215 S C 0.502 175.173 174.600 0.120 0.000 1.017 215 S CA -0.562 57.757 58.200 0.199 0.000 0.930 215 S CB -0.662 62.714 63.200 0.292 0.000 0.856 215 S HN 0.567 nan 8.310 nan 0.000 0.497 216 I N 3.479 124.075 120.570 0.044 0.000 2.775 216 I HA 0.059 4.104 4.170 -0.208 0.000 0.290 216 I C -0.485 175.406 176.117 -0.377 0.000 1.203 216 I CA 0.051 61.012 61.300 -0.565 0.000 1.433 216 I CB 0.811 38.488 38.000 -0.538 0.000 1.354 216 I HN 0.192 nan 8.210 nan 0.000 0.579 217 S N 5.777 121.197 115.700 -0.466 0.000 2.465 217 S HA -0.013 4.332 4.470 -0.208 0.000 0.280 217 S C 0.662 175.068 174.600 -0.322 0.000 1.232 217 S CA -0.342 57.660 58.200 -0.331 0.000 1.066 217 S CB 0.983 63.957 63.200 -0.377 0.000 0.929 217 S HN 0.707 nan 8.310 nan 0.000 0.494 218 S N 3.329 118.899 115.700 -0.217 0.000 2.930 218 S HA 0.040 4.385 4.470 -0.208 0.000 0.257 218 S C 0.565 175.063 174.600 -0.170 0.000 1.208 218 S CA -0.829 57.265 58.200 -0.177 0.000 1.233 218 S CB -0.589 62.541 63.200 -0.116 0.000 0.900 218 S HN 0.713 nan 8.310 nan 0.000 0.472 219 Q N 0.660 120.322 119.800 -0.230 0.000 2.479 219 Q HA 0.334 4.549 4.340 -0.208 0.000 0.267 219 Q C 0.345 176.261 176.000 -0.141 0.000 1.071 219 Q CA 0.379 56.057 55.803 -0.209 0.000 0.935 219 Q CB 0.321 28.879 28.738 -0.300 0.000 1.295 219 Q HN 0.332 nan 8.270 nan 0.000 0.476 220 A N 2.074 124.833 122.820 -0.101 0.000 3.258 220 A HA 0.243 4.438 4.320 -0.208 0.000 0.275 220 A C -0.657 176.910 177.584 -0.028 0.000 1.452 220 A CA -0.359 51.647 52.037 -0.052 0.000 1.120 220 A CB -0.564 18.412 19.000 -0.041 0.000 1.107 220 A HN 0.723 nan 8.150 nan 0.000 0.651 221 D N -0.272 120.109 120.400 -0.032 0.000 3.061 221 D HA -0.132 4.383 4.640 -0.208 0.000 0.252 221 D C 0.370 176.681 176.300 0.018 0.000 1.080 221 D CA 1.276 55.315 54.000 0.064 0.000 0.871 221 D CB -0.812 40.066 40.800 0.131 0.000 1.018 221 D HN 0.944 nan 8.370 nan 0.000 0.425 222 R N 0.529 120.962 120.500 -0.111 0.000 2.668 222 R HA 0.389 4.604 4.340 -0.208 0.000 0.268 222 R C 1.893 178.177 176.300 -0.027 0.000 1.232 222 R CA -0.526 55.472 56.100 -0.169 0.000 1.166 222 R CB 0.270 30.341 30.300 -0.382 0.000 1.179 222 R HN 0.029 nan 8.270 nan 0.000 0.606 223 I N -0.731 119.778 120.570 -0.101 0.000 2.315 223 I HA -0.064 3.981 4.170 -0.208 0.000 0.248 223 I C 0.771 177.170 176.117 0.470 0.000 1.117 223 I CA 1.220 62.614 61.300 0.157 0.000 1.404 223 I CB -1.682 36.404 38.000 0.143 0.000 1.071 223 I HN 0.609 nan 8.210 nan 0.000 0.419 224 Y N -2.289 118.142 120.300 0.219 0.000 2.669 224 Y HA 0.632 5.056 4.550 -0.209 0.000 0.335 224 Y C 0.610 176.323 175.900 -0.312 0.000 1.116 224 Y CA -1.103 57.122 58.100 0.208 0.000 1.081 224 Y CB 0.809 39.368 38.460 0.165 0.000 1.297 224 Y HN -0.294 nan 8.280 nan 0.000 0.484 225 L N -0.512 120.673 121.223 -0.064 0.000 2.221 225 L HA 0.164 4.379 4.340 -0.208 0.000 0.202 225 L C -0.259 176.344 176.870 -0.446 0.000 1.074 225 L CA 0.629 55.139 54.840 -0.550 0.000 0.795 225 L CB 0.334 42.019 42.059 -0.624 0.000 0.960 225 L HN 0.510 nan 8.230 nan 0.000 0.458 226 W N 0.320 121.782 121.300 0.270 0.000 2.715 226 W HA 0.210 4.743 4.660 -0.213 0.000 0.331 226 W C 0.872 177.308 176.519 -0.138 0.000 1.031 226 W CA -0.723 56.721 57.345 0.165 0.000 1.237 226 W CB 1.391 30.998 29.460 0.245 0.000 1.378 226 W HN -0.010 nan 8.180 nan 0.000 0.454 227 E N 2.015 122.149 120.200 -0.109 0.000 2.097 227 E HA -0.242 3.983 4.350 -0.208 0.000 0.196 227 E C 1.582 177.855 176.600 -0.546 0.000 1.000 227 E CA 1.602 57.580 56.400 -0.703 0.000 0.804 227 E CB 0.372 29.929 29.700 -0.238 0.000 0.740 227 E HN 0.277 nan 8.360 nan 0.000 0.454 228 K N -0.609 119.523 120.400 -0.446 0.000 2.103 228 K HA -0.129 4.066 4.320 -0.208 0.000 0.207 228 K C 0.554 176.631 176.600 -0.872 0.000 1.048 228 K CA 1.071 56.912 56.287 -0.744 0.000 0.930 228 K CB -0.154 31.689 32.500 -1.095 0.000 0.716 228 K HN 0.041 nan 8.250 nan 0.000 0.444 229 F N -0.387 119.486 119.950 -0.128 0.000 2.627 229 F HA 0.262 4.665 4.527 -0.207 0.000 0.329 229 F C 0.962 176.567 175.800 -0.324 0.000 1.378 229 F CA -0.629 57.287 58.000 -0.140 0.000 1.134 229 F CB 0.359 39.353 39.000 -0.010 0.000 1.229 229 F HN -0.107 nan 8.300 nan 0.000 0.537 230 S N -1.048 114.397 115.700 -0.424 0.000 2.371 230 S HA -0.056 4.289 4.470 -0.208 0.000 0.219 230 S C 0.986 175.178 174.600 -0.680 0.000 1.040 230 S CA 0.066 57.872 58.200 -0.657 0.000 0.958 230 S CB -0.403 62.249 63.200 -0.913 0.000 0.860 230 S HN 0.370 nan 8.310 nan 0.000 0.487 231 N N 1.555 120.042 118.700 -0.356 0.000 2.394 231 N HA 0.000 4.615 4.740 -0.208 0.000 0.288 231 N C -0.675 174.761 175.510 -0.124 0.000 1.272 231 N CA -0.110 52.841 53.050 -0.166 0.000 1.004 231 N CB -0.623 37.824 38.487 -0.066 0.000 1.393 231 N HN 0.332 nan 8.380 nan 0.000 0.488 232 Y N 1.669 122.067 120.300 0.163 0.000 2.584 232 Y HA 0.021 4.446 4.550 -0.208 0.000 0.317 232 Y C 1.680 177.683 175.900 0.173 0.000 1.208 232 Y CA 0.275 58.481 58.100 0.177 0.000 1.299 232 Y CB 0.097 38.680 38.460 0.205 0.000 1.047 232 Y HN 0.400 nan 8.280 nan 0.000 0.506 233 K N -0.500 120.041 120.400 0.234 0.000 2.262 233 K HA 0.078 4.273 4.320 -0.208 0.000 0.200 233 K C 0.348 177.058 176.600 0.182 0.000 1.049 233 K CA 0.482 56.889 56.287 0.201 0.000 0.979 233 K CB 0.215 32.800 32.500 0.141 0.000 0.773 233 K HN -0.056 nan 8.250 nan 0.000 0.474 234 T N 1.230 115.874 114.554 0.149 0.000 2.875 234 T HA 0.030 4.255 4.350 -0.208 0.000 0.307 234 T C 0.959 175.752 174.700 0.155 0.000 1.013 234 T CA -0.015 62.160 62.100 0.125 0.000 0.970 234 T CB 1.060 69.975 68.868 0.078 0.000 0.986 234 T HN 0.245 nan 8.240 nan 0.000 0.536 235 S N 3.031 118.844 115.700 0.188 0.000 2.407 235 S HA -0.248 4.097 4.470 -0.208 0.000 0.235 235 S C 2.453 177.098 174.600 0.075 0.000 1.036 235 S CA 0.941 59.242 58.200 0.169 0.000 1.013 235 S CB -0.526 62.836 63.200 0.270 0.000 0.820 235 S HN 0.770 nan 8.310 nan 0.000 0.476 236 A N 2.618 125.485 122.820 0.079 0.000 2.032 236 A HA -0.187 4.008 4.320 -0.208 0.000 0.221 236 A C 2.015 179.626 177.584 0.045 0.000 1.165 236 A CA 1.775 53.841 52.037 0.049 0.000 0.645 236 A CB -1.103 17.923 19.000 0.042 0.000 0.807 236 A HN 0.772 nan 8.150 nan 0.000 0.453 237 N N -0.967 117.795 118.700 0.103 0.000 2.459 237 N HA 0.016 4.631 4.740 -0.208 0.000 0.181 237 N C 1.326 176.932 175.510 0.160 0.000 1.046 237 N CA 0.549 53.688 53.050 0.148 0.000 0.904 237 N CB -0.099 38.488 38.487 0.168 0.000 0.964 237 N HN 0.337 nan 8.380 nan 0.000 0.444 238 L N 0.348 121.648 121.223 0.129 0.000 2.044 238 L HA -0.064 4.151 4.340 -0.208 0.000 0.205 238 L C 2.285 179.187 176.870 0.054 0.000 1.075 238 L CA 1.484 56.383 54.840 0.098 0.000 0.747 238 L CB -0.638 41.350 42.059 -0.118 0.000 0.903 238 L HN 0.086 nan 8.230 nan 0.000 0.435 239 T N -0.638 113.884 114.554 -0.055 0.000 2.777 239 T HA -0.164 4.061 4.350 -0.208 0.000 0.266 239 T C 1.936 176.566 174.700 -0.118 0.000 1.040 239 T CA 1.240 63.296 62.100 -0.074 0.000 1.141 239 T CB -0.357 68.484 68.868 -0.046 0.000 0.868 239 T HN 0.401 nan 8.240 nan 0.000 0.444 240 A N 1.185 123.863 122.820 -0.237 0.000 1.933 240 A HA -0.125 4.070 4.320 -0.208 0.000 0.218 240 A C 2.542 179.755 177.584 -0.619 0.000 1.175 240 A CA 2.050 53.760 52.037 -0.545 0.000 0.628 240 A CB -1.189 17.233 19.000 -0.963 0.000 0.814 240 A HN 0.463 nan 8.150 nan 0.000 0.444 241 T N -1.378 112.946 114.554 -0.384 0.000 2.737 241 T HA -0.129 4.096 4.350 -0.208 0.000 0.265 241 T C 1.715 176.315 174.700 -0.167 0.000 1.038 241 T CA 1.750 63.731 62.100 -0.199 0.000 1.144 241 T CB -0.434 68.490 68.868 0.094 0.000 0.866 241 T HN 0.543 nan 8.240 nan 0.000 0.434 242 Y N 1.186 121.430 120.300 -0.093 0.000 2.352 242 Y HA 0.037 4.460 4.550 -0.212 0.000 0.292 242 Y C 2.609 178.436 175.900 -0.122 0.000 1.136 242 Y CA 0.706 58.755 58.100 -0.086 0.000 1.227 242 Y CB -0.189 38.185 38.460 -0.143 0.000 0.991 242 Y HN 0.040 nan 8.280 nan 0.000 0.545 243 R N 0.035 120.511 120.500 -0.041 0.000 2.148 243 R HA -0.106 4.109 4.340 -0.208 0.000 0.223 243 R C 2.041 178.251 176.300 -0.150 0.000 1.088 243 R CA 0.999 57.041 56.100 -0.096 0.000 0.985 243 R CB -0.040 30.174 30.300 -0.142 0.000 0.880 243 R HN 0.281 nan 8.270 nan 0.000 0.451 244 K N 0.361 120.607 120.400 -0.257 0.000 2.097 244 K HA -0.079 4.116 4.320 -0.208 0.000 0.205 244 K C 1.934 178.445 176.600 -0.148 0.000 1.050 244 K CA 1.013 57.099 56.287 -0.335 0.000 0.938 244 K CB 0.008 32.050 32.500 -0.764 0.000 0.718 244 K HN 0.188 nan 8.250 nan 0.000 0.442 245 L N 0.644 121.843 121.223 -0.041 0.000 2.156 245 L HA -0.116 4.099 4.340 -0.208 0.000 0.208 245 L C 2.533 179.424 176.870 0.035 0.000 1.095 245 L CA 1.017 55.886 54.840 0.048 0.000 0.770 245 L CB -0.402 41.718 42.059 0.101 0.000 0.914 245 L HN 0.265 nan 8.230 nan 0.000 0.439 246 E N 0.873 121.084 120.200 0.017 0.000 2.077 246 E HA -0.236 3.989 4.350 -0.208 0.000 0.193 246 E C 1.914 178.512 176.600 -0.004 0.000 0.989 246 E CA 1.246 57.656 56.400 0.018 0.000 0.800 246 E CB 0.125 29.827 29.700 0.003 0.000 0.746 246 E HN 0.532 nan 8.360 nan 0.000 0.452 247 E N -0.002 120.174 120.200 -0.041 0.000 2.110 247 E HA -0.195 4.030 4.350 -0.208 0.000 0.193 247 E C 2.156 178.737 176.600 -0.032 0.000 0.988 247 E CA 1.246 57.617 56.400 -0.049 0.000 0.804 247 E CB -0.083 29.565 29.700 -0.086 0.000 0.745 247 E HN 0.370 nan 8.360 nan 0.000 0.458 248 M N 0.305 119.883 119.600 -0.036 0.000 2.175 248 M HA -0.102 4.253 4.480 -0.208 0.000 0.264 248 M C 2.469 178.776 176.300 0.011 0.000 1.063 248 M CA 1.264 56.538 55.300 -0.044 0.000 1.119 248 M CB -0.128 32.448 32.600 -0.040 0.000 1.377 248 M HN 0.122 nan 8.290 nan 0.000 0.415 249 A N 0.400 123.247 122.820 0.045 0.000 1.969 249 A HA -0.152 4.043 4.320 -0.208 0.000 0.218 249 A C 2.077 179.721 177.584 0.099 0.000 1.169 249 A CA 1.526 53.618 52.037 0.092 0.000 0.635 249 A CB -0.434 18.637 19.000 0.119 0.000 0.810 249 A HN 0.409 nan 8.150 nan 0.000 0.445 250 K N -0.743 119.695 120.400 0.064 0.000 2.057 250 K HA -0.120 4.075 4.320 -0.208 0.000 0.206 250 K C 2.238 178.895 176.600 0.095 0.000 1.050 250 K CA 1.372 57.696 56.287 0.062 0.000 0.935 250 K CB -0.100 32.407 32.500 0.011 0.000 0.715 250 K HN 0.387 nan 8.250 nan 0.000 0.439 251 Q N 0.272 120.130 119.800 0.097 0.000 2.137 251 Q HA -0.045 4.170 4.340 -0.208 0.000 0.198 251 Q C 2.188 178.313 176.000 0.209 0.000 0.960 251 Q CA 0.884 56.776 55.803 0.148 0.000 0.847 251 Q CB -0.185 28.671 28.738 0.197 0.000 0.915 251 Q HN 0.113 nan 8.270 nan 0.000 0.448 252 V N 1.548 121.567 119.914 0.176 0.000 2.867 252 V HA -0.149 3.846 4.120 -0.208 0.000 0.260 252 V C 1.892 178.167 176.094 0.302 0.000 1.099 252 V CA 2.018 64.426 62.300 0.179 0.000 1.122 252 V CB -0.840 31.001 31.823 0.029 0.000 0.708 252 V HN 0.483 nan 8.190 nan 0.000 0.490 253 T N -3.345 111.392 114.554 0.305 0.000 3.134 253 T HA 0.135 4.360 4.350 -0.208 0.000 0.260 253 T C 0.450 175.323 174.700 0.288 0.000 1.027 253 T CA -0.174 62.141 62.100 0.358 0.000 0.913 253 T CB -0.604 68.416 68.868 0.254 0.000 1.046 253 T HN 0.498 nan 8.240 nan 0.000 0.553 254 N N 1.855 120.683 118.700 0.213 0.000 2.546 254 N HA 0.273 4.888 4.740 -0.208 0.000 0.238 254 N C -2.154 173.138 175.510 -0.364 0.000 0.984 254 N CA -2.351 50.671 53.050 -0.046 0.000 0.935 254 N CB 1.646 40.101 38.487 -0.052 0.000 1.122 254 N HN -0.145 nan 8.380 nan 0.000 0.510 255 P HA -0.118 nan 4.420 nan 0.000 0.218 255 P C 0.479 177.431 177.300 -0.581 0.000 1.146 255 P CA 1.170 63.462 63.100 -1.346 0.000 0.820 255 P CB 0.315 31.542 31.700 -0.788 0.000 0.778 256 S N -1.874 113.614 115.700 -0.354 0.000 2.575 256 S HA 0.076 4.421 4.470 -0.208 0.000 0.215 256 S C 0.946 175.432 174.600 -0.189 0.000 0.966 256 S CA -0.091 57.983 58.200 -0.209 0.000 0.911 256 S CB -0.335 62.780 63.200 -0.141 0.000 0.780 256 S HN 0.134 nan 8.310 nan 0.000 0.514 257 S N 1.525 117.125 115.700 -0.167 0.000 2.586 257 S HA 0.216 4.561 4.470 -0.208 0.000 0.274 257 S C 1.274 175.830 174.600 -0.073 0.000 1.281 257 S CA -0.796 57.352 58.200 -0.087 0.000 1.035 257 S CB 0.773 63.987 63.200 0.024 0.000 0.962 257 S HN 0.526 nan 8.310 nan 0.000 0.512 258 R N 2.242 122.610 120.500 -0.219 0.000 2.285 258 R HA -0.026 4.189 4.340 -0.208 0.000 0.213 258 R C 0.093 176.175 176.300 -0.363 0.000 1.068 258 R CA 1.506 57.409 56.100 -0.328 0.000 1.004 258 R CB -0.428 29.574 30.300 -0.496 0.000 0.873 258 R HN 0.714 nan 8.270 nan 0.000 0.467 259 Y N -0.702 119.633 120.300 0.059 0.000 2.524 259 Y HA 0.164 4.587 4.550 -0.212 0.000 0.266 259 Y C -0.162 175.798 175.900 0.101 0.000 1.180 259 Y CA -1.519 56.615 58.100 0.055 0.000 1.244 259 Y CB -0.395 38.085 38.460 0.034 0.000 1.125 259 Y HN -0.002 nan 8.280 nan 0.000 0.524 260 Y N 2.901 123.243 120.300 0.070 0.000 2.729 260 Y HA -0.042 4.392 4.550 -0.193 0.000 0.331 260 Y C 1.013 176.953 175.900 0.067 0.000 1.208 260 Y CA -0.090 58.048 58.100 0.063 0.000 1.521 260 Y CB -0.088 38.390 38.460 0.029 0.000 1.233 260 Y HN 0.437 nan 8.280 nan 0.000 0.539 261 Q N 1.720 121.355 119.800 -0.274 0.000 2.450 261 Q HA -0.335 3.880 4.340 -0.208 0.000 0.255 261 Q C -0.487 175.433 176.000 -0.134 0.000 1.003 261 Q CA 1.168 56.801 55.803 -0.284 0.000 1.097 261 Q CB -1.158 27.281 28.738 -0.498 0.000 1.544 261 Q HN 0.742 nan 8.270 nan 0.000 0.531 262 D N 0.960 121.332 120.400 -0.047 0.000 2.382 262 D HA 0.007 4.522 4.640 -0.208 0.000 0.259 262 D C 1.161 177.424 176.300 -0.062 0.000 1.224 262 D CA 0.572 54.571 54.000 -0.002 0.000 0.894 262 D CB 0.864 41.738 40.800 0.123 0.000 1.127 262 D HN 0.346 nan 8.370 nan 0.000 0.487 263 E N 1.565 121.731 120.200 -0.057 0.000 2.097 263 E HA -0.293 3.932 4.350 -0.208 0.000 0.196 263 E C 1.524 178.079 176.600 -0.076 0.000 1.000 263 E CA 2.173 58.529 56.400 -0.075 0.000 0.804 263 E CB -0.673 29.001 29.700 -0.043 0.000 0.740 263 E HN 0.533 nan 8.360 nan 0.000 0.454 264 T N -1.498 113.032 114.554 -0.041 0.000 2.951 264 T HA -0.003 4.222 4.350 -0.208 0.000 0.268 264 T C 1.971 176.635 174.700 -0.061 0.000 1.073 264 T CA 0.908 62.984 62.100 -0.040 0.000 1.134 264 T CB -0.383 68.478 68.868 -0.012 0.000 0.884 264 T HN 0.094 nan 8.240 nan 0.000 0.479 265 V N 1.118 120.993 119.914 -0.066 0.000 2.488 265 V HA -0.040 3.955 4.120 -0.208 0.000 0.246 265 V C 2.880 178.894 176.094 -0.134 0.000 1.046 265 V CA 0.848 63.090 62.300 -0.096 0.000 1.053 265 V CB -0.508 31.259 31.823 -0.094 0.000 0.679 265 V HN 0.358 nan 8.190 nan 0.000 0.458 266 V N 0.059 119.848 119.914 -0.209 0.000 2.407 266 V HA -0.247 3.748 4.120 -0.208 0.000 0.248 266 V C 2.551 178.513 176.094 -0.220 0.000 1.055 266 V CA 2.301 64.400 62.300 -0.334 0.000 1.049 266 V CB -0.708 30.793 31.823 -0.536 0.000 0.662 266 V HN 0.453 nan 8.190 nan 0.000 0.455 267 R N -0.509 119.900 120.500 -0.150 0.000 2.093 267 R HA -0.108 4.107 4.340 -0.208 0.000 0.224 267 R C 2.419 178.678 176.300 -0.069 0.000 1.101 267 R CA 1.684 57.723 56.100 -0.101 0.000 0.979 267 R CB -0.318 29.937 30.300 -0.076 0.000 0.877 267 R HN 0.503 nan 8.270 nan 0.000 0.441 268 T N 0.253 114.766 114.554 -0.068 0.000 2.746 268 T HA -0.106 4.119 4.350 -0.208 0.000 0.267 268 T C 1.748 176.438 174.700 -0.018 0.000 1.039 268 T CA 1.416 63.483 62.100 -0.055 0.000 1.142 268 T CB -0.082 68.755 68.868 -0.052 0.000 0.866 268 T HN 0.016 nan 8.240 nan 0.000 0.444 269 V N 1.428 121.341 119.914 -0.002 0.000 2.427 269 V HA -0.135 3.861 4.120 -0.208 0.000 0.248 269 V C 2.562 178.728 176.094 0.120 0.000 1.051 269 V CA 1.551 63.892 62.300 0.068 0.000 1.048 269 V CB -0.517 31.359 31.823 0.089 0.000 0.666 269 V HN 0.403 nan 8.190 nan 0.000 0.456 270 R N -0.031 120.504 120.500 0.058 0.000 2.090 270 R HA -0.117 4.098 4.340 -0.208 0.000 0.228 270 R C 1.947 178.307 176.300 0.100 0.000 1.110 270 R CA 1.603 57.756 56.100 0.087 0.000 0.973 270 R CB -0.363 29.869 30.300 -0.114 0.000 0.869 270 R HN 0.465 nan 8.270 nan 0.000 0.440 271 D N -0.057 120.376 120.400 0.054 0.000 2.234 271 D HA -0.024 4.491 4.640 -0.208 0.000 0.205 271 D C 1.753 178.116 176.300 0.106 0.000 0.962 271 D CA 0.955 55.001 54.000 0.076 0.000 0.855 271 D CB -0.005 40.809 40.800 0.024 0.000 0.951 271 D HN -0.025 nan 8.370 nan 0.000 0.500 272 S N -0.078 115.655 115.700 0.055 0.000 2.387 272 S HA -0.051 4.294 4.470 -0.208 0.000 0.226 272 S C 1.863 176.530 174.600 0.112 0.000 1.026 272 S CA 0.634 58.867 58.200 0.054 0.000 0.972 272 S CB 0.043 63.244 63.200 0.003 0.000 0.814 272 S HN 0.193 nan 8.310 nan 0.000 0.477 273 M N 0.948 120.576 119.600 0.047 0.000 2.099 273 M HA -0.008 4.347 4.480 -0.208 0.000 0.262 273 M C 2.221 178.526 176.300 0.009 0.000 1.067 273 M CA 1.361 56.610 55.300 -0.085 0.000 1.124 273 M CB -1.349 30.984 32.600 -0.445 0.000 1.353 273 M HN 0.192 nan 8.290 nan 0.000 0.410 274 E N -0.590 119.680 120.200 0.117 0.000 2.110 274 E HA -0.224 4.001 4.350 -0.208 0.000 0.193 274 E C 1.848 178.623 176.600 0.292 0.000 0.988 274 E CA 1.586 58.161 56.400 0.293 0.000 0.804 274 E CB -0.372 29.491 29.700 0.271 0.000 0.745 274 E HN 0.493 nan 8.360 nan 0.000 0.458 275 W N -0.142 121.212 121.300 0.090 0.000 2.378 275 W HA -0.138 4.394 4.660 -0.213 0.000 0.313 275 W C 1.906 178.464 176.519 0.064 0.000 1.197 275 W CA 1.586 58.979 57.345 0.080 0.000 1.304 275 W CB -0.190 29.314 29.460 0.073 0.000 1.148 275 W HN 0.043 nan 8.180 nan 0.000 0.494 276 M N -0.387 119.412 119.600 0.332 0.000 2.149 276 M HA -0.220 4.135 4.480 -0.208 0.000 0.261 276 M C 1.990 178.340 176.300 0.083 0.000 1.064 276 M CA 2.153 57.524 55.300 0.118 0.000 1.102 276 M CB -2.093 30.554 32.600 0.078 0.000 1.369 276 M HN 0.353 nan 8.290 nan 0.000 0.408 277 H N -0.161 118.970 119.070 0.103 0.000 2.546 277 H HA -0.057 4.378 4.556 -0.202 0.000 0.277 277 H C 2.050 177.330 175.328 -0.079 0.000 1.004 277 H CA 1.462 57.590 56.048 0.133 0.000 1.231 277 H CB 0.244 30.201 29.762 0.324 0.000 1.382 277 H HN 0.240 nan 8.280 nan 0.000 0.580 278 K N -0.524 119.693 120.400 -0.304 0.000 2.078 278 K HA 0.005 4.200 4.320 -0.208 0.000 0.203 278 K C 0.528 176.606 176.600 -0.869 0.000 1.043 278 K CA 1.287 57.161 56.287 -0.688 0.000 0.960 278 K CB 0.360 32.243 32.500 -1.028 0.000 0.761 278 K HN 0.537 nan 8.250 nan 0.000 0.448 279 H N -1.740 117.012 119.070 -0.531 0.000 2.767 279 H HA 0.290 4.722 4.556 -0.208 0.000 0.260 279 H C 0.280 175.356 175.328 -0.419 0.000 1.172 279 H CA -0.309 55.457 56.048 -0.471 0.000 1.048 279 H CB 1.011 30.438 29.762 -0.557 0.000 1.697 279 H HN -0.077 nan 8.280 nan 0.000 0.606 280 V N -1.286 118.461 119.914 -0.279 0.000 3.279 280 V HA 0.088 4.083 4.120 -0.208 0.000 0.213 280 V C -0.897 175.249 176.094 0.085 0.000 1.335 280 V CA 0.051 62.247 62.300 -0.173 0.000 1.317 280 V CB 0.609 32.197 31.823 -0.392 0.000 1.209 280 V HN 0.223 nan 8.190 nan 0.000 0.525 281 Y N 4.659 124.955 120.300 -0.007 0.000 2.447 281 Y HA 0.615 5.039 4.550 -0.210 0.000 0.325 281 Y C -0.306 175.659 175.900 0.108 0.000 0.976 281 Y CA -1.125 57.041 58.100 0.109 0.000 1.280 281 Y CB 0.476 39.026 38.460 0.150 0.000 1.104 281 Y HN 0.510 nan 8.280 nan 0.000 0.486 282 N N 1.296 119.892 118.700 -0.173 0.000 2.853 282 N HA 0.164 4.779 4.740 -0.208 0.000 0.258 282 N C -0.280 175.107 175.510 -0.205 0.000 1.444 282 N CA -0.715 52.197 53.050 -0.229 0.000 0.837 282 N CB 1.546 39.844 38.487 -0.315 0.000 1.489 282 N HN 0.269 nan 8.380 nan 0.000 0.529 283 S N -0.118 115.451 115.700 -0.219 0.000 2.400 283 S HA -0.121 4.224 4.470 -0.208 0.000 0.232 283 S C 0.784 175.229 174.600 -0.257 0.000 1.025 283 S CA 1.194 59.228 58.200 -0.277 0.000 0.993 283 S CB -0.284 62.793 63.200 -0.204 0.000 0.808 283 S HN 0.542 nan 8.310 nan 0.000 0.478 284 E N 1.195 121.292 120.200 -0.172 0.000 2.463 284 E HA 0.139 4.364 4.350 -0.208 0.000 0.191 284 E C 0.214 176.767 176.600 -0.078 0.000 1.083 284 E CA 0.346 56.670 56.400 -0.126 0.000 0.872 284 E CB -0.017 29.623 29.700 -0.100 0.000 0.966 284 E HN 0.397 nan 8.360 nan 0.000 0.491 285 K N 0.365 120.733 120.400 -0.054 0.000 2.139 285 K HA 0.497 4.692 4.320 -0.208 0.000 0.243 285 K C 0.048 176.747 176.600 0.165 0.000 0.983 285 K CA -0.588 55.759 56.287 0.100 0.000 0.890 285 K CB 1.941 34.584 32.500 0.238 0.000 1.090 285 K HN -0.173 nan 8.250 nan 0.000 0.445 286 S N 0.425 116.251 115.700 0.209 0.000 2.600 286 S HA 0.490 4.835 4.470 -0.208 0.000 0.300 286 S C -0.051 174.549 174.600 -0.001 0.000 1.087 286 S CA -0.776 57.526 58.200 0.171 0.000 0.965 286 S CB 0.994 64.230 63.200 0.059 0.000 1.089 286 S HN 0.379 nan 8.310 nan 0.000 0.496 287 I N 2.349 122.819 120.570 -0.166 0.000 2.683 287 I HA 0.108 4.153 4.170 -0.208 0.000 0.286 287 I C -0.740 175.125 176.117 -0.420 0.000 1.175 287 I CA 0.178 60.989 61.300 -0.816 0.000 1.429 287 I CB 0.313 38.080 38.000 -0.387 0.000 1.371 287 I HN 0.137 nan 8.210 nan 0.000 0.569 288 V N 6.478 126.148 119.914 -0.408 0.000 2.419 288 V HA 0.736 4.731 4.120 -0.208 0.000 0.287 288 V C 0.508 176.714 176.094 0.187 0.000 1.017 288 V CA 0.162 62.483 62.300 0.035 0.000 0.844 288 V CB 0.494 32.421 31.823 0.174 0.000 1.011 288 V HN 1.187 nan 8.190 nan 0.000 0.429 289 G N 5.151 114.032 108.800 0.136 0.000 2.709 289 G HA2 -0.195 3.640 3.960 -0.208 0.000 0.228 289 G HA3 -0.195 3.640 3.960 -0.208 0.000 0.228 289 G C -0.260 174.738 174.900 0.164 0.000 1.215 289 G CA 0.009 45.206 45.100 0.163 0.000 1.003 289 G HN 0.732 nan 8.290 nan 0.000 0.584 290 N N 1.979 120.788 118.700 0.181 0.000 2.444 290 N HA 0.255 4.870 4.740 -0.208 0.000 0.271 290 N C 1.588 177.202 175.510 0.173 0.000 1.069 290 N CA -0.102 53.023 53.050 0.125 0.000 0.965 290 N CB 0.386 38.892 38.487 0.032 0.000 1.092 290 N HN 0.720 nan 8.380 nan 0.000 0.476 291 W N 3.418 124.836 121.300 0.197 0.000 2.374 291 W HA -0.113 4.422 4.660 -0.209 0.000 0.288 291 W C 1.236 177.873 176.519 0.198 0.000 1.218 291 W CA -0.093 57.356 57.345 0.172 0.000 1.245 291 W CB -1.016 28.535 29.460 0.153 0.000 1.126 291 W HN 0.641 nan 8.180 nan 0.000 0.545 292 W N 3.131 123.640 121.300 -1.319 0.000 2.338 292 W HA -0.216 4.320 4.660 -0.207 0.000 0.304 292 W C 2.086 178.291 176.519 -0.523 0.000 1.212 292 W CA 2.661 59.201 57.345 -1.342 0.000 1.264 292 W CB -0.436 28.286 29.460 -1.231 0.000 1.142 292 W HN -0.181 nan 8.180 nan 0.000 0.512 293 D N -1.266 119.110 120.400 -0.040 0.000 2.144 293 D HA -0.212 4.303 4.640 -0.208 0.000 0.200 293 D C 1.772 177.877 176.300 -0.325 0.000 0.978 293 D CA 1.534 55.459 54.000 -0.125 0.000 0.833 293 D CB -0.640 40.147 40.800 -0.023 0.000 0.961 293 D HN 0.268 nan 8.370 nan 0.000 0.470 294 Y N 1.376 121.538 120.300 -0.229 0.000 2.314 294 Y HA -0.035 4.391 4.550 -0.207 0.000 0.293 294 Y C 2.165 177.947 175.900 -0.196 0.000 1.129 294 Y CA 0.882 58.824 58.100 -0.262 0.000 1.201 294 Y CB 0.185 38.372 38.460 -0.455 0.000 0.999 294 Y HN 0.030 nan 8.280 nan 0.000 0.541 295 E N -1.527 118.675 120.200 0.003 0.000 2.413 295 E HA 0.145 4.370 4.350 -0.208 0.000 0.203 295 E C 1.248 177.773 176.600 -0.126 0.000 0.957 295 E CA 0.541 57.000 56.400 0.098 0.000 0.950 295 E CB 0.496 30.449 29.700 0.421 0.000 0.957 295 E HN 0.426 nan 8.360 nan 0.000 0.497 296 I N -0.091 120.122 120.570 -0.596 0.000 3.623 296 I HA 0.112 4.157 4.170 -0.208 0.000 0.253 296 I C 2.313 177.862 176.117 -0.946 0.000 1.144 296 I CA 0.445 61.246 61.300 -0.831 0.000 1.461 296 I CB -0.210 36.952 38.000 -1.396 0.000 1.575 296 I HN 0.059 nan 8.210 nan 0.000 0.445 297 G N 0.834 108.722 108.800 -1.519 0.000 2.514 297 G HA2 -0.253 3.582 3.960 -0.208 0.000 0.217 297 G HA3 -0.253 3.582 3.960 -0.208 0.000 0.217 297 G C 1.574 176.197 174.900 -0.461 0.000 1.198 297 G CA 2.024 46.583 45.100 -0.902 0.000 0.780 297 G HN 0.266 nan 8.290 nan 0.000 0.565 298 T N 2.081 116.338 114.554 -0.495 0.000 2.701 298 T HA -0.041 4.184 4.350 -0.208 0.000 0.263 298 T C 0.237 174.618 174.700 -0.532 0.000 1.040 298 T CA 1.622 63.380 62.100 -0.570 0.000 1.147 298 T CB -0.914 67.408 68.868 -0.911 0.000 0.865 298 T HN 0.238 nan 8.240 nan 0.000 0.426 299 P HA -0.031 nan 4.420 nan 0.000 0.218 299 P C 1.444 178.643 177.300 -0.168 0.000 1.148 299 P CA 1.145 64.118 63.100 -0.211 0.000 0.822 299 P CB -0.002 31.649 31.700 -0.083 0.000 0.784 300 R N -0.578 119.814 120.500 -0.179 0.000 2.062 300 R HA 0.012 4.227 4.340 -0.208 0.000 0.229 300 R C 2.339 178.610 176.300 -0.047 0.000 1.128 300 R CA 1.458 57.511 56.100 -0.077 0.000 0.960 300 R CB -0.998 29.258 30.300 -0.073 0.000 0.855 300 R HN 0.103 nan 8.270 nan 0.000 0.432 301 A N 0.828 123.583 122.820 -0.108 0.000 1.933 301 A HA -0.149 4.046 4.320 -0.208 0.000 0.218 301 A C 2.087 179.638 177.584 -0.055 0.000 1.175 301 A CA 1.257 53.257 52.037 -0.061 0.000 0.628 301 A CB -0.450 18.515 19.000 -0.058 0.000 0.814 301 A HN 0.219 nan 8.150 nan 0.000 0.444 302 I N -0.351 120.118 120.570 -0.169 0.000 2.233 302 I HA -0.204 3.841 4.170 -0.208 0.000 0.243 302 I C 2.183 178.257 176.117 -0.072 0.000 1.093 302 I CA 0.904 62.106 61.300 -0.163 0.000 1.380 302 I CB -0.377 37.444 38.000 -0.298 0.000 1.067 302 I HN 0.290 nan 8.210 nan 0.000 0.413 303 N N 1.225 119.896 118.700 -0.048 0.000 2.069 303 N HA -0.186 4.429 4.740 -0.208 0.000 0.191 303 N C 1.586 177.148 175.510 0.086 0.000 1.031 303 N CA 1.482 54.532 53.050 0.000 0.000 0.852 303 N CB -0.662 37.819 38.487 -0.009 0.000 1.018 303 N HN 0.298 nan 8.380 nan 0.000 0.423 304 N N 0.162 118.946 118.700 0.141 0.000 2.120 304 N HA -0.069 4.546 4.740 -0.208 0.000 0.188 304 N C 1.682 177.269 175.510 0.128 0.000 1.024 304 N CA 1.171 54.344 53.050 0.205 0.000 0.852 304 N CB -0.803 37.779 38.487 0.159 0.000 1.003 304 N HN 0.246 nan 8.380 nan 0.000 0.424 305 T N 1.377 115.975 114.554 0.073 0.000 2.708 305 T HA -0.011 4.214 4.350 -0.208 0.000 0.266 305 T C 2.023 176.762 174.700 0.066 0.000 1.037 305 T CA 0.769 62.912 62.100 0.071 0.000 1.146 305 T CB -0.279 68.621 68.868 0.054 0.000 0.865 305 T HN 0.138 nan 8.240 nan 0.000 0.435 306 L N 0.732 121.941 121.223 -0.022 0.000 2.093 306 L HA -0.059 4.156 4.340 -0.208 0.000 0.208 306 L C 2.870 179.789 176.870 0.081 0.000 1.085 306 L CA 0.953 55.746 54.840 -0.078 0.000 0.755 306 L CB -0.588 41.374 42.059 -0.161 0.000 0.904 306 L HN 0.279 nan 8.230 nan 0.000 0.435 307 S N 0.271 116.043 115.700 0.119 0.000 2.356 307 S HA -0.131 4.214 4.470 -0.208 0.000 0.223 307 S C 2.018 176.733 174.600 0.192 0.000 1.032 307 S CA 1.134 59.441 58.200 0.178 0.000 1.005 307 S CB -0.159 63.212 63.200 0.284 0.000 0.867 307 S HN 0.289 nan 8.310 nan 0.000 0.449 308 L N 0.299 121.634 121.223 0.188 0.000 2.056 308 L HA 0.080 4.295 4.340 -0.208 0.000 0.207 308 L C 2.025 179.031 176.870 0.227 0.000 1.078 308 L CA 1.125 56.073 54.840 0.180 0.000 0.749 308 L CB -0.254 41.895 42.059 0.150 0.000 0.901 308 L HN 0.351 nan 8.230 nan 0.000 0.433 309 M N 0.075 119.847 119.600 0.287 0.000 2.738 309 M HA 0.046 4.401 4.480 -0.208 0.000 0.295 309 M C 1.360 177.940 176.300 0.466 0.000 1.266 309 M CA 0.007 55.572 55.300 0.441 0.000 0.985 309 M CB 0.267 33.188 32.600 0.535 0.000 1.365 309 M HN 0.149 nan 8.290 nan 0.000 0.492 310 K N -0.229 120.345 120.400 0.289 0.000 2.362 310 K HA -0.096 4.099 4.320 -0.208 0.000 0.200 310 K C 0.768 177.468 176.600 0.167 0.000 1.046 310 K CA 1.128 57.562 56.287 0.246 0.000 0.952 310 K CB -0.047 32.547 32.500 0.156 0.000 0.753 310 K HN 0.431 nan 8.250 nan 0.000 0.466 311 E N -0.174 120.053 120.200 0.045 0.000 2.489 311 E HA -0.042 4.183 4.350 -0.208 0.000 0.193 311 E C 0.180 176.571 176.600 -0.347 0.000 1.057 311 E CA 0.360 56.654 56.400 -0.176 0.000 0.866 311 E CB 0.149 29.663 29.700 -0.311 0.000 0.916 311 E HN 0.463 nan 8.360 nan 0.000 0.500 312 Y N -1.539 118.791 120.300 0.050 0.000 2.500 312 Y HA 0.237 4.782 4.550 -0.009 0.000 0.246 312 Y C 0.096 175.829 175.900 -0.279 0.000 1.146 312 Y CA -0.252 57.775 58.100 -0.121 0.000 1.230 312 Y CB 0.626 38.967 38.460 -0.198 0.000 1.214 312 Y HN -0.129 nan 8.280 nan 0.000 0.526 313 F N -0.389 119.659 119.950 0.163 0.000 2.538 313 F HA 0.490 4.906 4.527 -0.185 0.000 0.325 313 F C 0.506 176.357 175.800 0.085 0.000 1.066 313 F CA -1.439 56.645 58.000 0.142 0.000 0.946 313 F CB 1.472 40.570 39.000 0.164 0.000 1.199 313 F HN -0.285 nan 8.300 nan 0.000 0.473 314 S N 0.398 116.264 115.700 0.277 0.000 2.646 314 S HA 0.233 4.578 4.470 -0.208 0.000 0.276 314 S C 0.502 175.178 174.600 0.127 0.000 1.222 314 S CA -0.709 57.578 58.200 0.145 0.000 1.014 314 S CB 1.179 64.434 63.200 0.091 0.000 0.991 314 S HN 0.599 nan 8.310 nan 0.000 0.533 315 D N 1.682 122.121 120.400 0.065 0.000 2.149 315 D HA -0.097 4.419 4.640 -0.208 0.000 0.198 315 D C 1.676 177.975 176.300 -0.001 0.000 0.990 315 D CA 1.690 55.706 54.000 0.027 0.000 0.839 315 D CB -0.243 40.558 40.800 0.001 0.000 0.948 315 D HN 0.785 nan 8.370 nan 0.000 0.460 316 E N 0.702 120.898 120.200 -0.007 0.000 2.150 316 E HA -0.106 4.119 4.350 -0.208 0.000 0.193 316 E C 1.940 178.488 176.600 -0.087 0.000 0.985 316 E CA 0.652 57.025 56.400 -0.045 0.000 0.814 316 E CB -0.140 29.537 29.700 -0.039 0.000 0.752 316 E HN 0.397 nan 8.360 nan 0.000 0.466 317 E N 0.178 120.359 120.200 -0.031 0.000 2.107 317 E HA -0.087 4.138 4.350 -0.208 0.000 0.191 317 E C 1.992 178.520 176.600 -0.119 0.000 0.982 317 E CA 0.578 56.924 56.400 -0.090 0.000 0.809 317 E CB -0.034 29.823 29.700 0.261 0.000 0.756 317 E HN 0.246 nan 8.360 nan 0.000 0.459 318 I N 1.064 121.650 120.570 0.026 0.000 2.179 318 I HA -0.293 3.752 4.170 -0.208 0.000 0.242 318 I C 2.567 178.659 176.117 -0.042 0.000 1.088 318 I CA 1.147 62.452 61.300 0.008 0.000 1.357 318 I CB -0.160 37.849 38.000 0.015 0.000 1.051 318 I HN 0.014 nan 8.210 nan 0.000 0.409 319 K N 0.906 121.263 120.400 -0.072 0.000 2.057 319 K HA -0.245 3.950 4.320 -0.208 0.000 0.207 319 K C 2.269 178.803 176.600 -0.109 0.000 1.049 319 K CA 1.339 57.577 56.287 -0.080 0.000 0.931 319 K CB -0.082 32.368 32.500 -0.082 0.000 0.714 319 K HN 0.139 nan 8.250 nan 0.000 0.440 320 K N 0.138 120.409 120.400 -0.214 0.000 2.063 320 K HA -0.188 4.007 4.320 -0.208 0.000 0.208 320 K C 1.751 178.183 176.600 -0.280 0.000 1.048 320 K CA 1.591 57.684 56.287 -0.324 0.000 0.928 320 K CB -0.138 32.001 32.500 -0.601 0.000 0.713 320 K HN 0.162 nan 8.250 nan 0.000 0.442 321 Y N 0.572 120.822 120.300 -0.083 0.000 2.561 321 Y HA -0.043 4.375 4.550 -0.220 0.000 0.291 321 Y C 2.212 178.117 175.900 0.008 0.000 1.141 321 Y CA 1.277 59.351 58.100 -0.043 0.000 1.303 321 Y CB -0.161 38.231 38.460 -0.113 0.000 1.015 321 Y HN 0.268 nan 8.280 nan 0.000 0.547 322 T N -5.156 109.455 114.554 0.096 0.000 3.001 322 T HA 0.035 4.260 4.350 -0.208 0.000 0.251 322 T C 1.268 175.997 174.700 0.049 0.000 1.040 322 T CA 0.245 62.383 62.100 0.064 0.000 0.985 322 T CB 0.021 68.897 68.868 0.012 0.000 1.011 322 T HN -0.005 nan 8.240 nan 0.000 0.509 323 D N 1.808 122.226 120.400 0.029 0.000 2.133 323 D HA -0.103 4.412 4.640 -0.208 0.000 0.195 323 D C 2.167 178.467 176.300 0.001 0.000 0.997 323 D CA 0.953 54.953 54.000 0.000 0.000 0.840 323 D CB -0.518 40.274 40.800 -0.013 0.000 0.947 323 D HN 0.298 nan 8.370 nan 0.000 0.452 324 V N 0.818 120.749 119.914 0.028 0.000 2.568 324 V HA -0.207 3.788 4.120 -0.208 0.000 0.253 324 V C 2.077 178.234 176.094 0.106 0.000 1.072 324 V CA 1.163 63.449 62.300 -0.024 0.000 1.084 324 V CB -0.280 31.474 31.823 -0.114 0.000 0.676 324 V HN 0.158 nan 8.190 nan 0.000 0.469 325 I N -0.527 120.134 120.570 0.151 0.000 2.406 325 I HA -0.053 3.992 4.170 -0.208 0.000 0.249 325 I C 2.483 178.674 176.117 0.123 0.000 1.122 325 I CA 0.899 62.316 61.300 0.194 0.000 1.431 325 I CB -0.383 37.691 38.000 0.124 0.000 1.087 325 I HN 0.248 nan 8.210 nan 0.000 0.424 326 E N 1.023 121.251 120.200 0.047 0.000 2.204 326 E HA -0.200 4.025 4.350 -0.208 0.000 0.194 326 E C 1.979 178.566 176.600 -0.023 0.000 0.989 326 E CA 0.815 57.218 56.400 0.005 0.000 0.824 326 E CB -0.220 29.467 29.700 -0.022 0.000 0.756 326 E HN 0.354 nan 8.360 nan 0.000 0.477 327 K N 0.037 120.398 120.400 -0.065 0.000 2.044 327 K HA -0.045 4.150 4.320 -0.208 0.000 0.204 327 K C 1.840 178.327 176.600 -0.189 0.000 1.049 327 K CA 0.688 56.861 56.287 -0.189 0.000 0.945 327 K CB -0.138 32.150 32.500 -0.353 0.000 0.724 327 K HN 0.050 nan 8.250 nan 0.000 0.440 328 F N 0.649 120.609 119.950 0.018 0.000 2.416 328 F HA 0.008 4.409 4.527 -0.210 0.000 0.296 328 F C 0.978 176.836 175.800 0.097 0.000 1.099 328 F CA 0.416 58.462 58.000 0.077 0.000 1.427 328 F CB 0.514 39.610 39.000 0.159 0.000 1.079 328 F HN -0.272 nan 8.300 nan 0.000 0.536 329 V N 1.721 121.775 119.914 0.234 0.000 2.462 329 V HA 0.184 4.179 4.120 -0.208 0.000 0.257 329 V C -1.869 174.248 176.094 0.039 0.000 0.944 329 V CA -0.811 61.576 62.300 0.145 0.000 0.903 329 V CB 0.854 32.788 31.823 0.185 0.000 1.128 329 V HN -0.080 nan 8.190 nan 0.000 0.486 330 P HA 0.093 nan 4.420 nan 0.000 0.226 330 P C 0.179 177.450 177.300 -0.047 0.000 1.161 330 P CA 0.716 63.799 63.100 -0.028 0.000 0.804 330 P CB 0.766 32.443 31.700 -0.038 0.000 0.829 331 D N 1.066 121.428 120.400 -0.063 0.000 2.392 331 D HA 0.163 4.678 4.640 -0.208 0.000 0.228 331 D C -1.646 174.561 176.300 -0.154 0.000 1.074 331 D CA -2.726 51.227 54.000 -0.077 0.000 0.838 331 D CB 1.358 42.136 40.800 -0.036 0.000 1.067 331 D HN -0.037 nan 8.370 nan 0.000 0.511 332 P HA -0.042 nan 4.420 nan 0.000 0.234 332 P C 0.544 177.677 177.300 -0.279 0.000 1.167 332 P CA 0.660 63.638 63.100 -0.203 0.000 0.763 332 P CB 0.571 32.198 31.700 -0.122 0.000 0.835 333 E N -1.869 118.172 120.200 -0.265 0.000 2.431 333 E HA 0.052 4.277 4.350 -0.208 0.000 0.200 333 E C -0.061 176.126 176.600 -0.687 0.000 0.995 333 E CA 0.166 56.332 56.400 -0.390 0.000 0.915 333 E CB 0.222 29.746 29.700 -0.293 0.000 0.930 333 E HN 0.406 nan 8.360 nan 0.000 0.496 334 H N -1.955 116.880 119.070 -0.392 0.000 2.797 334 H HA 0.437 4.868 4.556 -0.209 0.000 0.372 334 H C -1.230 173.704 175.328 -0.657 0.000 1.168 334 H CA -0.734 55.039 56.048 -0.458 0.000 1.163 334 H CB 1.199 30.794 29.762 -0.279 0.000 1.778 334 H HN -0.133 nan 8.280 nan 0.000 0.551 335 F N -0.090 119.487 119.950 -0.623 0.000 2.618 335 F HA 0.434 4.835 4.527 -0.210 0.000 0.332 335 F C 0.586 176.010 175.800 -0.627 0.000 1.061 335 F CA -1.037 56.521 58.000 -0.737 0.000 0.974 335 F CB 1.393 39.595 39.000 -1.331 0.000 1.310 335 F HN 0.524 nan 8.300 nan 0.000 0.491 336 R N 0.214 120.625 120.500 -0.148 0.000 3.641 336 R HA -0.270 3.945 4.340 -0.208 0.000 0.286 336 R C 1.325 177.615 176.300 -0.017 0.000 1.153 336 R CA 0.903 56.953 56.100 -0.084 0.000 0.775 336 R CB -1.118 29.053 30.300 -0.214 0.000 1.215 336 R HN 0.621 nan 8.270 nan 0.000 0.474 337 K N 0.970 121.377 120.400 0.011 0.000 2.063 337 K HA -0.122 4.073 4.320 -0.208 0.000 0.208 337 K C 1.828 178.430 176.600 0.003 0.000 1.048 337 K CA 2.056 58.335 56.287 -0.013 0.000 0.928 337 K CB -0.048 32.446 32.500 -0.011 0.000 0.713 337 K HN 0.414 nan 8.250 nan 0.000 0.442 338 T N -1.515 113.075 114.554 0.059 0.000 3.215 338 T HA -0.001 4.224 4.350 -0.208 0.000 0.254 338 T C 0.759 175.482 174.700 0.038 0.000 1.149 338 T CA 0.380 62.502 62.100 0.036 0.000 1.042 338 T CB -0.729 68.171 68.868 0.053 0.000 0.966 338 T HN 0.378 nan 8.240 nan 0.000 0.534 339 T N -1.924 112.653 114.554 0.038 0.000 2.910 339 T HA 0.385 4.610 4.350 -0.208 0.000 0.279 339 T C 0.505 175.207 174.700 0.004 0.000 0.989 339 T CA -0.692 61.426 62.100 0.030 0.000 0.968 339 T CB 1.350 70.244 68.868 0.043 0.000 1.135 339 T HN -0.146 nan 8.240 nan 0.000 0.562 340 D N 0.931 121.335 120.400 0.006 0.000 2.277 340 D HA 0.028 4.543 4.640 -0.208 0.000 0.208 340 D C 0.063 176.358 176.300 -0.008 0.000 0.962 340 D CA 0.852 54.849 54.000 -0.004 0.000 0.865 340 D CB -0.069 40.731 40.800 0.001 0.000 0.939 340 D HN 0.701 nan 8.370 nan 0.000 0.510 341 N N 0.534 119.233 118.700 -0.001 0.000 2.727 341 N HA 0.258 4.873 4.740 -0.208 0.000 0.252 341 N C -2.966 172.556 175.510 0.020 0.000 1.283 341 N CA -1.408 51.644 53.050 0.003 0.000 0.782 341 N CB 1.112 39.603 38.487 0.006 0.000 1.199 341 N HN -0.152 nan 8.380 nan 0.000 0.520 342 P HA 0.404 nan 4.420 nan 0.000 0.274 342 P C -0.604 176.764 177.300 0.113 0.000 1.246 342 P CA -0.358 62.740 63.100 -0.003 0.000 0.795 342 P CB 0.463 32.115 31.700 -0.081 0.000 1.006 343 F N -2.022 117.924 119.950 -0.007 0.000 2.603 343 F HA 0.648 5.050 4.527 -0.208 0.000 0.317 343 F C -0.217 175.653 175.800 0.116 0.000 1.066 343 F CA -1.716 56.308 58.000 0.041 0.000 0.941 343 F CB 1.415 40.383 39.000 -0.054 0.000 1.291 343 F HN 0.074 nan 8.300 nan 0.000 0.472 344 K N 1.966 122.515 120.400 0.249 0.000 2.350 344 K HA 0.600 4.795 4.320 -0.208 0.000 0.279 344 K C -0.509 176.087 176.600 -0.006 0.000 1.027 344 K CA -0.264 55.963 56.287 -0.099 0.000 0.969 344 K CB 0.804 33.272 32.500 -0.054 0.000 0.954 344 K HN 0.948 nan 8.250 nan 0.000 0.474 345 A N 5.437 128.113 122.820 -0.239 0.000 2.320 345 A HA 0.531 4.726 4.320 -0.208 0.000 0.287 345 A C -0.744 176.858 177.584 0.031 0.000 1.181 345 A CA -0.531 51.483 52.037 -0.038 0.000 0.831 345 A CB 0.112 18.919 19.000 -0.321 0.000 1.102 345 A HN 0.724 nan 8.150 nan 0.000 0.513 346 L N 1.495 122.810 121.223 0.153 0.000 2.491 346 L HA 0.676 4.891 4.340 -0.208 0.000 0.254 346 L C 1.167 178.105 176.870 0.114 0.000 1.048 346 L CA -0.293 54.596 54.840 0.081 0.000 0.855 346 L CB 1.690 43.767 42.059 0.031 0.000 1.466 346 L HN 1.161 nan 8.230 nan 0.000 0.409 347 G N 0.619 109.461 108.800 0.070 0.000 2.652 347 G HA2 -0.331 3.504 3.960 -0.208 0.000 0.318 347 G HA3 -0.331 3.504 3.960 -0.208 0.000 0.318 347 G C 0.900 175.885 174.900 0.141 0.000 1.295 347 G CA 0.737 45.902 45.100 0.109 0.000 0.999 347 G HN 1.115 nan 8.290 nan 0.000 0.548 348 G N -0.186 108.729 108.800 0.192 0.000 2.476 348 G HA2 -0.271 3.564 3.960 -0.208 0.000 0.218 348 G HA3 -0.271 3.564 3.960 -0.208 0.000 0.218 348 G C 1.605 176.680 174.900 0.292 0.000 1.164 348 G CA 1.678 46.907 45.100 0.216 0.000 0.768 348 G HN 0.833 nan 8.290 nan 0.000 0.560 349 N N -0.184 118.745 118.700 0.382 0.000 2.166 349 N HA -0.085 4.530 4.740 -0.208 0.000 0.186 349 N C 2.000 177.849 175.510 0.565 0.000 1.019 349 N CA 0.780 54.139 53.050 0.515 0.000 0.856 349 N CB -0.134 38.745 38.487 0.652 0.000 0.993 349 N HN 0.259 nan 8.380 nan 0.000 0.426 350 L N 0.625 122.059 121.223 0.352 0.000 2.141 350 L HA -0.019 4.196 4.340 -0.208 0.000 0.209 350 L C 1.795 178.755 176.870 0.150 0.000 1.094 350 L CA 1.227 56.184 54.840 0.194 0.000 0.763 350 L CB -0.306 41.804 42.059 0.086 0.000 0.908 350 L HN -0.036 nan 8.230 nan 0.000 0.437 351 V N -0.362 119.645 119.914 0.155 0.000 2.548 351 V HA -0.210 3.785 4.120 -0.208 0.000 0.249 351 V C 2.124 178.308 176.094 0.149 0.000 1.055 351 V CA 1.757 64.130 62.300 0.122 0.000 1.065 351 V CB -0.601 31.286 31.823 0.108 0.000 0.681 351 V HN 0.434 nan 8.190 nan 0.000 0.462 352 D N -0.694 119.832 120.400 0.210 0.000 2.219 352 D HA -0.139 4.376 4.640 -0.208 0.000 0.205 352 D C 1.943 178.369 176.300 0.211 0.000 0.970 352 D CA 0.924 55.043 54.000 0.198 0.000 0.851 352 D CB -0.051 40.875 40.800 0.209 0.000 0.943 352 D HN 0.368 nan 8.370 nan 0.000 0.488 353 M N -0.070 119.694 119.600 0.273 0.000 2.296 353 M HA 0.018 4.373 4.480 -0.208 0.000 0.265 353 M C 1.747 178.070 176.300 0.038 0.000 1.064 353 M CA 1.342 56.734 55.300 0.152 0.000 1.109 353 M CB -0.252 32.314 32.600 -0.056 0.000 1.396 353 M HN -0.044 nan 8.290 nan 0.000 0.430 354 G N -0.540 108.284 108.800 0.041 0.000 2.408 354 G HA2 -0.099 3.736 3.960 -0.208 0.000 0.215 354 G HA3 -0.099 3.736 3.960 -0.208 0.000 0.215 354 G C 1.627 176.494 174.900 -0.055 0.000 1.156 354 G CA 0.070 45.167 45.100 -0.006 0.000 0.793 354 G HN 0.451 nan 8.290 nan 0.000 0.535 355 R N -0.143 120.352 120.500 -0.008 0.000 2.316 355 R HA 0.135 4.350 4.340 -0.208 0.000 0.202 355 R C 1.911 178.172 176.300 -0.065 0.000 1.029 355 R CA 0.205 56.278 56.100 -0.044 0.000 1.018 355 R CB 0.089 30.463 30.300 0.124 0.000 0.888 355 R HN 0.332 nan 8.270 nan 0.000 0.471 356 V N 0.263 120.157 119.914 -0.033 0.000 2.599 356 V HA -0.062 3.933 4.120 -0.208 0.000 0.237 356 V C 1.782 177.845 176.094 -0.052 0.000 1.081 356 V CA 1.163 63.447 62.300 -0.028 0.000 1.107 356 V CB 0.043 31.888 31.823 0.037 0.000 0.808 356 V HN 0.135 nan 8.190 nan 0.000 0.486 357 K N -0.212 120.160 120.400 -0.047 0.000 2.262 357 K HA 0.054 4.249 4.320 -0.208 0.000 0.200 357 K C 1.916 178.468 176.600 -0.081 0.000 1.049 357 K CA 0.628 56.880 56.287 -0.057 0.000 0.979 357 K CB 0.150 32.619 32.500 -0.051 0.000 0.773 357 K HN 0.249 nan 8.250 nan 0.000 0.474 358 V N 1.832 121.679 119.914 -0.111 0.000 2.379 358 V HA -0.194 3.801 4.120 -0.208 0.000 0.245 358 V C 2.086 178.068 176.094 -0.187 0.000 1.044 358 V CA 1.271 63.493 62.300 -0.130 0.000 1.036 358 V CB -0.254 31.479 31.823 -0.150 0.000 0.664 358 V HN 0.231 nan 8.190 nan 0.000 0.453 359 I N 0.660 121.058 120.570 -0.286 0.000 2.333 359 I HA -0.076 3.969 4.170 -0.208 0.000 0.246 359 I C 2.682 178.695 176.117 -0.174 0.000 1.106 359 I CA 1.719 62.812 61.300 -0.345 0.000 1.411 359 I CB -1.723 35.958 38.000 -0.532 0.000 1.082 359 I HN 0.280 nan 8.210 nan 0.000 0.420 360 A N 1.223 123.968 122.820 -0.125 0.000 1.930 360 A HA -0.045 4.150 4.320 -0.208 0.000 0.217 360 A C 2.490 180.030 177.584 -0.073 0.000 1.175 360 A CA 1.685 53.676 52.037 -0.077 0.000 0.627 360 A CB -1.287 17.683 19.000 -0.050 0.000 0.815 360 A HN 0.420 nan 8.150 nan 0.000 0.443 361 G N -0.204 108.554 108.800 -0.070 0.000 2.422 361 G HA2 -0.158 3.677 3.960 -0.208 0.000 0.218 361 G HA3 -0.158 3.677 3.960 -0.208 0.000 0.218 361 G C 1.540 176.416 174.900 -0.041 0.000 1.146 361 G CA 1.034 46.103 45.100 -0.051 0.000 0.769 361 G HN 0.436 nan 8.290 nan 0.000 0.547 362 L N -0.327 120.886 121.223 -0.017 0.000 2.072 362 L HA 0.074 4.289 4.340 -0.208 0.000 0.205 362 L C 2.875 179.736 176.870 -0.015 0.000 1.079 362 L CA 0.426 55.311 54.840 0.075 0.000 0.752 362 L CB -0.311 41.776 42.059 0.046 0.000 0.906 362 L HN 0.178 nan 8.230 nan 0.000 0.436 363 L N -0.564 120.629 121.223 -0.049 0.000 2.083 363 L HA -0.180 4.035 4.340 -0.208 0.000 0.209 363 L C 2.436 179.241 176.870 -0.109 0.000 1.083 363 L CA 1.299 56.108 54.840 -0.052 0.000 0.752 363 L CB -0.302 41.733 42.059 -0.040 0.000 0.899 363 L HN 0.185 nan 8.230 nan 0.000 0.433 364 R N -0.006 120.411 120.500 -0.137 0.000 2.310 364 R HA 0.043 4.258 4.340 -0.208 0.000 0.202 364 R C 0.162 176.289 176.300 -0.289 0.000 0.933 364 R CA -0.051 55.951 56.100 -0.164 0.000 1.054 364 R CB 0.150 30.381 30.300 -0.115 0.000 0.985 364 R HN 0.150 nan 8.270 nan 0.000 0.489 365 K N 1.073 121.176 120.400 -0.496 0.000 3.069 365 K HA -0.181 4.014 4.320 -0.208 0.000 0.267 365 K C -0.684 175.581 176.600 -0.558 0.000 1.082 365 K CA 0.837 56.450 56.287 -1.123 0.000 0.782 365 K CB -1.206 30.662 32.500 -1.053 0.000 1.230 365 K HN 0.190 nan 8.250 nan 0.000 0.488 366 D N 1.235 121.487 120.400 -0.246 0.000 2.411 366 D HA 0.104 4.619 4.640 -0.208 0.000 0.225 366 D C 0.604 176.913 176.300 0.015 0.000 1.156 366 D CA -0.275 53.672 54.000 -0.090 0.000 0.874 366 D CB 0.839 41.595 40.800 -0.074 0.000 1.034 366 D HN -0.003 nan 8.370 nan 0.000 0.502 367 D N 1.874 122.317 120.400 0.072 0.000 2.117 367 D HA -0.170 4.345 4.640 -0.208 0.000 0.197 367 D C 1.571 177.900 176.300 0.047 0.000 0.987 367 D CA 0.785 54.849 54.000 0.107 0.000 0.829 367 D CB 0.226 41.094 40.800 0.113 0.000 0.961 367 D HN 0.482 nan 8.370 nan 0.000 0.460 368 Q N 0.761 120.574 119.800 0.022 0.000 2.124 368 Q HA -0.187 4.028 4.340 -0.208 0.000 0.202 368 Q C 1.947 177.946 176.000 -0.002 0.000 0.977 368 Q CA 1.267 57.073 55.803 0.006 0.000 0.850 368 Q CB -0.042 28.693 28.738 -0.005 0.000 0.901 368 Q HN 0.447 nan 8.270 nan 0.000 0.429 369 E N -0.233 119.963 120.200 -0.007 0.000 2.051 369 E HA -0.157 4.068 4.350 -0.208 0.000 0.192 369 E C 2.173 178.766 176.600 -0.012 0.000 0.991 369 E CA 1.049 57.438 56.400 -0.018 0.000 0.799 369 E CB -0.109 29.574 29.700 -0.027 0.000 0.748 369 E HN 0.378 nan 8.360 nan 0.000 0.449 370 I N 0.983 121.557 120.570 0.007 0.000 2.113 370 I HA -0.318 3.727 4.170 -0.208 0.000 0.238 370 I C 2.752 178.872 176.117 0.006 0.000 1.070 370 I CA 1.572 62.878 61.300 0.011 0.000 1.332 370 I CB -0.407 37.621 38.000 0.046 0.000 1.044 370 I HN 0.229 nan 8.210 nan 0.000 0.402 371 S N 0.343 116.050 115.700 0.012 0.000 2.356 371 S HA -0.220 4.125 4.470 -0.208 0.000 0.223 371 S C 2.190 176.792 174.600 0.003 0.000 1.032 371 S CA 1.413 59.618 58.200 0.009 0.000 1.005 371 S CB -1.014 62.193 63.200 0.010 0.000 0.867 371 S HN 0.566 nan 8.310 nan 0.000 0.449 372 S N 1.592 117.289 115.700 -0.005 0.000 2.382 372 S HA -0.137 4.208 4.470 -0.208 0.000 0.228 372 S C 1.895 176.482 174.600 -0.022 0.000 1.027 372 S CA 1.678 59.869 58.200 -0.014 0.000 0.991 372 S CB -1.588 61.600 63.200 -0.021 0.000 0.823 372 S HN 0.602 nan 8.310 nan 0.000 0.469 373 T N 2.190 116.729 114.554 -0.025 0.000 2.857 373 T HA 0.230 4.455 4.350 -0.208 0.000 0.266 373 T C 1.719 176.412 174.700 -0.011 0.000 1.048 373 T CA 1.240 63.320 62.100 -0.033 0.000 1.139 373 T CB -0.374 68.469 68.868 -0.041 0.000 0.874 373 T HN 0.404 nan 8.240 nan 0.000 0.455 374 I N 0.960 121.534 120.570 0.006 0.000 2.315 374 I HA -0.102 3.943 4.170 -0.208 0.000 0.248 374 I C 2.693 178.840 176.117 0.049 0.000 1.117 374 I CA 0.933 62.255 61.300 0.035 0.000 1.404 374 I CB -0.204 37.818 38.000 0.037 0.000 1.071 374 I HN 0.063 nan 8.210 nan 0.000 0.419 375 R N 0.718 121.236 120.500 0.030 0.000 2.096 375 R HA -0.162 4.053 4.340 -0.208 0.000 0.235 375 R C 2.328 178.646 176.300 0.029 0.000 1.127 375 R CA 2.044 58.164 56.100 0.033 0.000 0.968 375 R CB -0.661 29.648 30.300 0.015 0.000 0.861 375 R HN 0.183 nan 8.270 nan 0.000 0.440 376 S N -0.488 115.214 115.700 0.002 0.000 2.368 376 S HA -0.004 4.341 4.470 -0.208 0.000 0.224 376 S C 1.840 176.439 174.600 -0.002 0.000 1.029 376 S CA 1.220 59.407 58.200 -0.022 0.000 0.988 376 S CB -0.214 62.945 63.200 -0.068 0.000 0.838 376 S HN 0.414 nan 8.310 nan 0.000 0.462 377 I N 1.480 122.062 120.570 0.020 0.000 2.361 377 I HA -0.144 3.901 4.170 -0.208 0.000 0.251 377 I C 2.289 178.443 176.117 0.061 0.000 1.133 377 I CA 1.202 62.520 61.300 0.030 0.000 1.413 377 I CB -0.347 37.685 38.000 0.053 0.000 1.073 377 I HN 0.367 nan 8.210 nan 0.000 0.424 378 E N 0.379 120.677 120.200 0.163 0.000 2.333 378 E HA -0.289 3.936 4.350 -0.208 0.000 0.200 378 E C 2.022 178.774 176.600 0.253 0.000 1.010 378 E CA 0.742 57.340 56.400 0.331 0.000 0.841 378 E CB -0.127 29.725 29.700 0.255 0.000 0.757 378 E HN 0.582 nan 8.360 nan 0.000 0.508 379 Q N 0.107 119.974 119.800 0.113 0.000 2.226 379 Q HA -0.127 4.088 4.340 -0.208 0.000 0.204 379 Q C 2.244 178.295 176.000 0.086 0.000 0.975 379 Q CA 0.725 56.577 55.803 0.083 0.000 0.866 379 Q CB 0.029 28.782 28.738 0.025 0.000 0.915 379 Q HN 0.175 nan 8.270 nan 0.000 0.440 380 V N -0.038 119.882 119.914 0.009 0.000 2.720 380 V HA -0.201 3.794 4.120 -0.208 0.000 0.256 380 V C 1.121 177.298 176.094 0.139 0.000 1.082 380 V CA 1.419 63.708 62.300 -0.019 0.000 1.101 380 V CB -0.306 31.416 31.823 -0.169 0.000 0.693 380 V HN 0.302 nan 8.190 nan 0.000 0.479 381 F N 0.194 120.350 119.950 0.345 0.000 2.780 381 F HA 0.249 4.651 4.527 -0.209 0.000 0.299 381 F C 1.260 177.210 175.800 0.249 0.000 1.146 381 F CA 0.147 58.344 58.000 0.328 0.000 1.428 381 F CB -0.208 38.861 39.000 0.115 0.000 1.115 381 F HN 0.004 nan 8.300 nan 0.000 0.583 382 K N 1.239 121.840 120.400 0.335 0.000 2.234 382 K HA 0.366 4.561 4.320 -0.208 0.000 0.282 382 K C -0.262 176.460 176.600 0.203 0.000 1.039 382 K CA -0.216 56.200 56.287 0.214 0.000 0.928 382 K CB 0.864 33.442 32.500 0.130 0.000 1.039 382 K HN 0.021 nan 8.250 nan 0.000 0.470 383 L N 3.906 125.223 121.223 0.156 0.000 2.371 383 L HA 0.302 4.517 4.340 -0.208 0.000 0.272 383 L C 0.167 177.028 176.870 -0.016 0.000 1.124 383 L CA -0.643 54.269 54.840 0.119 0.000 0.816 383 L CB 0.902 43.016 42.059 0.091 0.000 1.129 383 L HN 0.419 nan 8.230 nan 0.000 0.448 384 V N -0.866 118.944 119.914 -0.173 0.000 3.103 384 V HA 0.541 4.536 4.120 -0.208 0.000 0.318 384 V C -0.473 175.353 176.094 -0.446 0.000 1.114 384 V CA -0.626 61.495 62.300 -0.299 0.000 1.020 384 V CB 1.952 33.546 31.823 -0.381 0.000 1.085 384 V HN 0.835 nan 8.190 nan 0.000 0.446 385 D N -0.710 119.534 120.400 -0.259 0.000 2.503 385 D HA 0.319 4.834 4.640 -0.208 0.000 0.218 385 D C 0.202 176.559 176.300 0.094 0.000 1.183 385 D CA 0.026 53.995 54.000 -0.053 0.000 0.827 385 D CB 0.422 41.251 40.800 0.047 0.000 1.034 385 D HN 0.736 nan 8.370 nan 0.000 0.510 386 Q N -0.301 119.466 119.800 -0.055 0.000 2.594 386 Q HA 0.432 4.647 4.340 -0.208 0.000 0.278 386 Q C -0.191 175.825 176.000 0.026 0.000 0.961 386 Q CA -0.216 55.651 55.803 0.107 0.000 0.844 386 Q CB 1.469 30.249 28.738 0.071 0.000 1.475 386 Q HN 0.226 nan 8.270 nan 0.000 0.389 387 G N 1.698 110.558 108.800 0.100 0.000 2.593 387 G HA2 -0.240 3.595 3.960 -0.208 0.000 0.237 387 G HA3 -0.240 3.595 3.960 -0.208 0.000 0.237 387 G C -0.992 173.907 174.900 -0.001 0.000 1.312 387 G CA 0.009 45.126 45.100 0.028 0.000 0.896 387 G HN 0.646 nan 8.290 nan 0.000 0.574 388 E N 0.615 120.764 120.200 -0.085 0.000 2.331 388 E HA 0.524 4.749 4.350 -0.208 0.000 0.272 388 E C 0.666 177.097 176.600 -0.281 0.000 1.036 388 E CA 0.242 56.523 56.400 -0.197 0.000 0.864 388 E CB 1.244 30.835 29.700 -0.181 0.000 1.035 388 E HN 1.946 nan 8.360 nan 0.000 0.408 389 G N 1.304 109.792 108.800 -0.520 0.000 2.334 389 G HA2 -0.049 3.786 3.960 -0.208 0.000 0.315 389 G HA3 -0.049 3.786 3.960 -0.208 0.000 0.315 389 G C -1.443 173.181 174.900 -0.459 0.000 1.284 389 G CA -1.163 43.654 45.100 -0.473 0.000 0.985 389 G HN 0.288 nan 8.290 nan 0.000 0.504 390 F N 0.224 120.142 119.950 -0.053 0.000 2.384 390 F HA 0.732 5.134 4.527 -0.209 0.000 0.338 390 F C 0.381 176.230 175.800 0.082 0.000 1.103 390 F CA -0.047 58.024 58.000 0.119 0.000 1.157 390 F CB 1.158 40.229 39.000 0.118 0.000 1.167 390 F HN 0.413 nan 8.300 nan 0.000 0.529 391 Y N 0.451 120.933 120.300 0.303 0.000 2.528 391 Y HA 0.220 4.645 4.550 -0.208 0.000 0.335 391 Y C 1.219 177.302 175.900 0.305 0.000 1.093 391 Y CA -0.814 57.422 58.100 0.226 0.000 1.134 391 Y CB 1.136 39.682 38.460 0.144 0.000 1.253 391 Y HN 0.522 nan 8.280 nan 0.000 0.478 392 Q N 1.387 121.420 119.800 0.389 0.000 2.135 392 Q HA -0.198 4.017 4.340 -0.208 0.000 0.204 392 Q C 1.135 177.388 176.000 0.422 0.000 0.981 392 Q CA 2.370 58.389 55.803 0.359 0.000 0.856 392 Q CB -0.352 28.510 28.738 0.208 0.000 0.902 392 Q HN 0.787 nan 8.270 nan 0.000 0.425 393 D N -1.873 118.732 120.400 0.341 0.000 2.352 393 D HA 0.078 4.593 4.640 -0.208 0.000 0.232 393 D C 1.053 177.560 176.300 0.345 0.000 1.055 393 D CA 0.856 55.013 54.000 0.261 0.000 0.891 393 D CB -0.332 40.570 40.800 0.170 0.000 0.897 393 D HN 0.440 nan 8.370 nan 0.000 0.529 394 G N -0.685 108.353 108.800 0.396 0.000 2.194 394 G HA2 -0.263 3.572 3.960 -0.208 0.000 0.236 394 G HA3 -0.263 3.572 3.960 -0.208 0.000 0.236 394 G C 0.375 175.407 174.900 0.220 0.000 0.987 394 G CA 0.170 45.497 45.100 0.379 0.000 0.635 394 G HN 0.436 nan 8.290 nan 0.000 0.520 395 S N -0.281 115.556 115.700 0.228 0.000 2.579 395 S HA 0.528 4.873 4.470 -0.208 0.000 0.275 395 S C -0.473 174.187 174.600 0.100 0.000 1.345 395 S CA 0.140 58.317 58.200 -0.039 0.000 1.031 395 S CB 1.344 64.457 63.200 -0.145 0.000 0.892 395 S HN 0.770 nan 8.310 nan 0.000 0.529 396 Y N 2.404 122.576 120.300 -0.212 0.000 2.346 396 Y HA 0.545 4.970 4.550 -0.208 0.000 0.332 396 Y C -1.244 174.538 175.900 -0.197 0.000 0.985 396 Y CA -0.845 57.074 58.100 -0.302 0.000 1.112 396 Y CB 0.596 38.651 38.460 -0.675 0.000 1.170 396 Y HN 0.443 nan 8.280 nan 0.000 0.447 397 I N 5.810 126.004 120.570 -0.627 0.000 2.474 397 I HA 0.391 4.436 4.170 -0.208 0.000 0.294 397 I C -0.715 175.056 176.117 -0.576 0.000 1.005 397 I CA -0.421 60.648 61.300 -0.385 0.000 1.113 397 I CB 1.830 39.757 38.000 -0.122 0.000 1.289 397 I HN 0.701 nan 8.210 nan 0.000 0.436 398 D N 3.047 123.297 120.400 -0.249 0.000 2.579 398 D HA 0.319 4.834 4.640 -0.208 0.000 0.257 398 D C -0.334 175.939 176.300 -0.046 0.000 1.176 398 D CA -0.230 53.615 54.000 -0.258 0.000 0.914 398 D CB 1.563 42.133 40.800 -0.384 0.000 1.431 398 D HN 0.645 nan 8.370 nan 0.000 0.454 399 H N 0.659 119.579 119.070 -0.250 0.000 2.692 399 H HA -0.226 4.205 4.556 -0.209 0.000 0.316 399 H C 0.438 175.698 175.328 -0.115 0.000 1.176 399 H CA 0.562 56.497 56.048 -0.188 0.000 1.142 399 H CB -1.002 28.706 29.762 -0.090 0.000 1.475 399 H HN 0.554 nan 8.280 nan 0.000 0.423 400 T N -1.345 113.201 114.554 -0.015 0.000 13.029 400 T HA -0.332 3.893 4.350 -0.208 0.000 0.417 400 T C 0.859 175.555 174.700 -0.005 0.000 1.457 400 T CA 2.015 64.101 62.100 -0.023 0.000 2.388 400 T CB -0.973 67.876 68.868 -0.030 0.000 2.799 400 T HN 0.733 nan 8.240 nan 0.000 0.661 401 N N 0.569 119.274 118.700 0.008 0.000 2.527 401 N HA 0.419 5.034 4.740 -0.208 0.000 0.279 401 N C -1.076 174.434 175.510 0.001 0.000 1.571 401 N CA -0.224 52.830 53.050 0.008 0.000 0.858 401 N CB 0.073 38.576 38.487 0.027 0.000 1.422 401 N HN 0.507 nan 8.380 nan 0.000 0.491 402 V N 0.512 120.426 119.914 -0.000 0.000 2.459 402 V HA 0.798 4.793 4.120 -0.208 0.000 0.295 402 V C 0.584 176.625 176.094 -0.088 0.000 1.029 402 V CA -1.293 60.975 62.300 -0.053 0.000 0.874 402 V CB 1.272 33.060 31.823 -0.059 0.000 0.985 402 V HN 0.433 nan 8.190 nan 0.000 0.438 403 A N 3.918 126.654 122.820 -0.140 0.000 2.515 403 A HA 0.363 4.558 4.320 -0.208 0.000 0.263 403 A C -0.340 177.153 177.584 -0.152 0.000 1.096 403 A CA 0.525 52.484 52.037 -0.130 0.000 0.769 403 A CB -0.498 18.427 19.000 -0.126 0.000 1.040 403 A HN 0.824 nan 8.150 nan 0.000 0.505 404 Y N 1.959 122.258 120.300 -0.002 0.000 2.750 404 Y HA 0.130 4.555 4.550 -0.208 0.000 0.247 404 Y C 1.763 177.722 175.900 0.099 0.000 1.098 404 Y CA -0.076 58.073 58.100 0.082 0.000 1.120 404 Y CB -0.041 38.507 38.460 0.147 0.000 1.210 404 Y HN 0.727 nan 8.280 nan 0.000 0.601 405 T N -1.721 112.897 114.554 0.107 0.000 2.720 405 T HA -0.162 4.063 4.350 -0.208 0.000 0.268 405 T C 2.093 176.747 174.700 -0.076 0.000 1.037 405 T CA 1.752 63.736 62.100 -0.194 0.000 1.144 405 T CB -0.272 68.390 68.868 -0.344 0.000 0.864 405 T HN 0.568 nan 8.240 nan 0.000 0.444 406 G N -0.249 108.554 108.800 0.005 0.000 2.956 406 G HA2 0.382 4.217 3.960 -0.208 0.000 0.207 406 G HA3 0.382 4.217 3.960 -0.208 0.000 0.207 406 G C 0.942 175.852 174.900 0.017 0.000 1.162 406 G CA 0.682 45.798 45.100 0.026 0.000 0.796 406 G HN 0.609 nan 8.290 nan 0.000 0.527 407 A N -0.665 122.170 122.820 0.024 0.000 1.808 407 A HA 0.408 4.603 4.320 -0.208 0.000 0.190 407 A C 1.604 178.962 177.584 -0.377 0.000 1.822 407 A CA 0.091 52.032 52.037 -0.160 0.000 1.090 407 A CB -0.339 18.601 19.000 -0.100 0.000 1.004 407 A HN 0.081 nan 8.150 nan 0.000 0.602 408 Y N 1.336 121.435 120.300 -0.335 0.000 2.314 408 Y HA 0.039 4.464 4.550 -0.208 0.000 0.293 408 Y C 2.655 178.347 175.900 -0.347 0.000 1.129 408 Y CA 1.340 59.239 58.100 -0.335 0.000 1.201 408 Y CB -0.366 37.879 38.460 -0.359 0.000 0.999 408 Y HN 0.394 nan 8.280 nan 0.000 0.541 409 G N -0.224 108.333 108.800 -0.406 0.000 2.408 409 G HA2 -0.260 3.575 3.960 -0.208 0.000 0.217 409 G HA3 -0.260 3.575 3.960 -0.208 0.000 0.217 409 G C 1.510 176.408 174.900 -0.004 0.000 1.150 409 G CA 1.055 45.844 45.100 -0.518 0.000 0.776 409 G HN 0.299 nan 8.290 nan 0.000 0.542 410 N N 0.525 119.209 118.700 -0.027 0.000 2.043 410 N HA -0.117 4.498 4.740 -0.208 0.000 0.193 410 N C 2.307 177.754 175.510 -0.105 0.000 1.037 410 N CA 1.281 54.279 53.050 -0.087 0.000 0.851 410 N CB -0.760 37.662 38.487 -0.109 0.000 1.027 410 N HN 0.160 nan 8.380 nan 0.000 0.422 411 V N 1.407 121.251 119.914 -0.116 0.000 2.332 411 V HA -0.187 3.808 4.120 -0.208 0.000 0.248 411 V C 2.325 178.416 176.094 -0.006 0.000 1.055 411 V CA 1.154 63.417 62.300 -0.062 0.000 1.038 411 V CB -0.597 31.186 31.823 -0.066 0.000 0.651 411 V HN 0.291 nan 8.190 nan 0.000 0.450 412 L N -0.581 120.628 121.223 -0.022 0.000 1.970 412 L HA -0.215 4.001 4.340 -0.208 0.000 0.212 412 L C 2.337 179.238 176.870 0.052 0.000 1.071 412 L CA 2.158 56.999 54.840 0.002 0.000 0.751 412 L CB -0.214 41.783 42.059 -0.103 0.000 0.889 412 L HN 0.261 nan 8.230 nan 0.000 0.432 413 I N -0.511 120.085 120.570 0.042 0.000 2.315 413 I HA -0.304 3.741 4.170 -0.208 0.000 0.248 413 I C 2.055 178.178 176.117 0.010 0.000 1.117 413 I CA 1.671 63.006 61.300 0.058 0.000 1.404 413 I CB -0.111 37.803 38.000 -0.143 0.000 1.071 413 I HN 0.429 nan 8.210 nan 0.000 0.419 414 D N 0.386 120.763 120.400 -0.038 0.000 2.084 414 D HA -0.161 4.354 4.640 -0.208 0.000 0.194 414 D C 2.109 178.429 176.300 0.035 0.000 0.990 414 D CA 1.803 55.788 54.000 -0.026 0.000 0.826 414 D CB -0.485 40.286 40.800 -0.048 0.000 0.971 414 D HN 0.382 nan 8.370 nan 0.000 0.453 415 G N 0.182 109.020 108.800 0.064 0.000 2.402 415 G HA2 -0.196 3.639 3.960 -0.208 0.000 0.216 415 G HA3 -0.196 3.639 3.960 -0.208 0.000 0.216 415 G C 1.584 176.577 174.900 0.155 0.000 1.162 415 G CA 0.779 45.953 45.100 0.123 0.000 0.777 415 G HN 0.346 nan 8.290 nan 0.000 0.539 416 L N 2.085 123.392 121.223 0.140 0.000 2.042 416 L HA -0.078 4.137 4.340 -0.208 0.000 0.210 416 L C 3.079 180.052 176.870 0.171 0.000 1.076 416 L CA 2.521 57.461 54.840 0.166 0.000 0.749 416 L CB -0.632 41.546 42.059 0.199 0.000 0.893 416 L HN 0.346 nan 8.230 nan 0.000 0.432 417 S N -1.911 113.871 115.700 0.137 0.000 2.447 417 S HA -0.197 4.148 4.470 -0.208 0.000 0.233 417 S C 1.806 176.473 174.600 0.112 0.000 1.006 417 S CA 0.994 59.258 58.200 0.107 0.000 0.957 417 S CB -0.492 62.744 63.200 0.060 0.000 0.773 417 S HN 0.670 nan 8.310 nan 0.000 0.507 418 Q N 0.495 120.380 119.800 0.142 0.000 2.096 418 Q HA 0.211 4.426 4.340 -0.208 0.000 0.197 418 Q C 2.230 178.458 176.000 0.380 0.000 0.964 418 Q CA 0.980 56.887 55.803 0.172 0.000 0.838 418 Q CB -0.250 28.564 28.738 0.127 0.000 0.906 418 Q HN 0.524 nan 8.270 nan 0.000 0.444 419 L N 0.459 121.908 121.223 0.376 0.000 2.072 419 L HA -0.152 4.064 4.340 -0.208 0.000 0.205 419 L C 2.308 179.302 176.870 0.206 0.000 1.079 419 L CA 0.645 55.669 54.840 0.306 0.000 0.752 419 L CB -0.333 41.831 42.059 0.175 0.000 0.906 419 L HN 0.259 nan 8.230 nan 0.000 0.436 420 L N -0.030 121.302 121.223 0.181 0.000 2.021 420 L HA -0.236 3.979 4.340 -0.208 0.000 0.215 420 L C -0.194 176.748 176.870 0.120 0.000 1.074 420 L CA 1.871 56.798 54.840 0.146 0.000 0.760 420 L CB -1.874 40.269 42.059 0.139 0.000 0.889 420 L HN 0.255 nan 8.230 nan 0.000 0.433 421 P HA -0.124 nan 4.420 nan 0.000 0.218 421 P C 1.856 179.225 177.300 0.116 0.000 1.148 421 P CA 1.094 64.259 63.100 0.110 0.000 0.822 421 P CB 0.102 31.869 31.700 0.112 0.000 0.784 422 V N -0.767 119.238 119.914 0.151 0.000 2.346 422 V HA -0.148 3.848 4.120 -0.208 0.000 0.244 422 V C 2.327 178.461 176.094 0.068 0.000 1.037 422 V CA 1.294 63.670 62.300 0.126 0.000 1.029 422 V CB -0.901 31.019 31.823 0.161 0.000 0.663 422 V HN 0.009 nan 8.190 nan 0.000 0.454 423 I N -0.159 120.451 120.570 0.067 0.000 2.226 423 I HA -0.242 3.803 4.170 -0.208 0.000 0.245 423 I C 2.518 178.659 176.117 0.041 0.000 1.100 423 I CA 1.189 62.517 61.300 0.047 0.000 1.374 423 I CB -0.286 37.755 38.000 0.068 0.000 1.057 423 I HN 0.297 nan 8.210 nan 0.000 0.413 424 Q N 0.491 120.321 119.800 0.050 0.000 2.437 424 Q HA -0.145 4.071 4.340 -0.208 0.000 0.210 424 Q C 1.576 177.589 176.000 0.022 0.000 0.972 424 Q CA 1.172 56.995 55.803 0.033 0.000 0.903 424 Q CB -0.136 28.623 28.738 0.036 0.000 0.967 424 Q HN 0.428 nan 8.270 nan 0.000 0.486 425 K N 0.019 120.434 120.400 0.024 0.000 2.373 425 K HA 0.053 4.248 4.320 -0.208 0.000 0.202 425 K C 0.607 177.200 176.600 -0.010 0.000 1.025 425 K CA 0.024 56.318 56.287 0.011 0.000 1.115 425 K CB 0.740 33.254 32.500 0.023 0.000 0.858 425 K HN 0.204 nan 8.250 nan 0.000 0.525 426 T N -2.064 112.483 114.554 -0.011 0.000 2.852 426 T HA 0.220 4.445 4.350 -0.208 0.000 0.281 426 T C 0.924 175.605 174.700 -0.031 0.000 0.993 426 T CA -0.666 61.414 62.100 -0.033 0.000 0.933 426 T CB 0.842 69.698 68.868 -0.020 0.000 1.187 426 T HN -0.270 nan 8.240 nan 0.000 0.559 427 K N 0.566 120.943 120.400 -0.038 0.000 2.505 427 K HA 0.157 4.352 4.320 -0.208 0.000 0.192 427 K C -0.046 176.546 176.600 -0.012 0.000 1.025 427 K CA 0.254 56.524 56.287 -0.028 0.000 1.086 427 K CB -0.782 31.699 32.500 -0.033 0.000 0.840 427 K HN 0.631 nan 8.250 nan 0.000 0.514 428 N N 1.160 119.856 118.700 -0.006 0.000 2.679 428 N HA 0.121 4.736 4.740 -0.208 0.000 0.302 428 N C -2.713 172.802 175.510 0.009 0.000 1.941 428 N CA -1.067 51.985 53.050 0.003 0.000 0.875 428 N CB 1.186 39.678 38.487 0.009 0.000 1.278 428 N HN -0.004 nan 8.380 nan 0.000 0.490 429 P HA 0.056 nan 4.420 nan 0.000 0.271 429 P C -0.224 177.076 177.300 0.001 0.000 1.233 429 P CA 0.113 63.216 63.100 0.004 0.000 0.789 429 P CB 1.428 33.125 31.700 -0.004 0.000 0.951 430 I N 1.074 121.640 120.570 -0.006 0.000 2.359 430 I HA 0.158 4.203 4.170 -0.208 0.000 0.294 430 I C 0.595 176.658 176.117 -0.089 0.000 0.987 430 I CA -0.767 60.512 61.300 -0.034 0.000 1.225 430 I CB 0.716 38.703 38.000 -0.022 0.000 1.366 430 I HN 0.176 nan 8.210 nan 0.000 0.466 431 D N 4.889 125.232 120.400 -0.095 0.000 2.515 431 D HA -0.089 4.426 4.640 -0.208 0.000 0.232 431 D C 0.865 177.073 176.300 -0.153 0.000 1.157 431 D CA 0.494 54.432 54.000 -0.103 0.000 0.871 431 D CB 0.776 41.523 40.800 -0.089 0.000 1.200 431 D HN 0.376 nan 8.370 nan 0.000 0.466 432 K N 0.756 121.090 120.400 -0.109 0.000 2.365 432 K HA -0.062 4.133 4.320 -0.208 0.000 0.199 432 K C 0.975 177.503 176.600 -0.119 0.000 1.045 432 K CA 0.817 57.040 56.287 -0.107 0.000 0.962 432 K CB 0.314 32.780 32.500 -0.056 0.000 0.759 432 K HN 0.426 nan 8.250 nan 0.000 0.469 433 D N -0.725 119.605 120.400 -0.117 0.000 2.327 433 D HA -0.069 4.446 4.640 -0.208 0.000 0.205 433 D C 1.145 177.349 176.300 -0.159 0.000 0.989 433 D CA 0.259 54.197 54.000 -0.104 0.000 0.873 433 D CB 0.181 40.941 40.800 -0.067 0.000 0.955 433 D HN 0.061 nan 8.370 nan 0.000 0.515 434 K N 0.756 121.021 120.400 -0.225 0.000 2.097 434 K HA 0.045 4.240 4.320 -0.208 0.000 0.205 434 K C 2.068 178.297 176.600 -0.619 0.000 1.050 434 K CA 0.739 56.846 56.287 -0.300 0.000 0.938 434 K CB -0.069 32.258 32.500 -0.288 0.000 0.718 434 K HN 0.232 nan 8.250 nan 0.000 0.442 435 M N 0.447 119.565 119.600 -0.804 0.000 2.618 435 M HA -0.016 4.339 4.480 -0.208 0.000 0.240 435 M C 1.801 177.779 176.300 -0.537 0.000 1.123 435 M CA 0.595 55.292 55.300 -1.004 0.000 1.060 435 M CB 0.054 32.193 32.600 -0.767 0.000 1.535 435 M HN -0.081 nan 8.290 nan 0.000 0.507 436 Q N 1.187 120.805 119.800 -0.303 0.000 2.291 436 Q HA -0.128 4.087 4.340 -0.208 0.000 0.206 436 Q C 1.937 177.825 176.000 -0.187 0.000 0.976 436 Q CA 2.154 57.897 55.803 -0.101 0.000 0.875 436 Q CB -0.361 28.370 28.738 -0.012 0.000 0.927 436 Q HN 0.621 nan 8.270 nan 0.000 0.450 437 T N -2.508 111.873 114.554 -0.288 0.000 3.007 437 T HA -0.105 4.120 4.350 -0.208 0.000 0.270 437 T C 1.694 175.856 174.700 -0.897 0.000 1.107 437 T CA 1.031 62.922 62.100 -0.348 0.000 1.118 437 T CB -0.198 68.581 68.868 -0.148 0.000 0.889 437 T HN 0.247 nan 8.240 nan 0.000 0.506 438 M N 0.123 119.037 119.600 -1.144 0.000 2.149 438 M HA -0.062 4.293 4.480 -0.208 0.000 0.261 438 M C 1.806 177.605 176.300 -0.835 0.000 1.064 438 M CA 1.797 56.209 55.300 -1.479 0.000 1.102 438 M CB -0.472 31.480 32.600 -1.080 0.000 1.369 438 M HN 0.295 nan 8.290 nan 0.000 0.408 439 Y N -1.734 118.395 120.300 -0.285 0.000 2.352 439 Y HA -0.201 4.224 4.550 -0.208 0.000 0.292 439 Y C 2.471 178.342 175.900 -0.048 0.000 1.136 439 Y CA 1.113 59.145 58.100 -0.112 0.000 1.227 439 Y CB -1.120 37.293 38.460 -0.079 0.000 0.991 439 Y HN 0.374 nan 8.280 nan 0.000 0.545 440 H N -0.863 118.158 119.070 -0.082 0.000 2.363 440 H HA -0.171 4.260 4.556 -0.209 0.000 0.301 440 H C 1.430 176.794 175.328 0.061 0.000 1.074 440 H CA 1.757 57.803 56.048 -0.003 0.000 1.354 440 H CB -0.129 29.625 29.762 -0.014 0.000 1.397 440 H HN 0.289 nan 8.280 nan 0.000 0.516 441 W N 1.279 122.494 121.300 -0.141 0.000 2.333 441 W HA -0.148 4.387 4.660 -0.209 0.000 0.316 441 W C 2.652 179.141 176.519 -0.050 0.000 1.215 441 W CA 0.308 57.427 57.345 -0.377 0.000 1.278 441 W CB -1.272 27.837 29.460 -0.584 0.000 1.154 441 W HN 0.196 nan 8.180 nan 0.000 0.486 442 I N 0.253 121.029 120.570 0.344 0.000 2.118 442 I HA -0.327 3.718 4.170 -0.208 0.000 0.241 442 I C 2.157 178.375 176.117 0.168 0.000 1.070 442 I CA 1.873 63.361 61.300 0.315 0.000 1.327 442 I CB -0.649 37.467 38.000 0.193 0.000 1.034 442 I HN -0.117 nan 8.210 nan 0.000 0.405 443 D N 0.552 120.995 120.400 0.071 0.000 2.103 443 D HA -0.111 4.404 4.640 -0.208 0.000 0.199 443 D C 2.219 178.480 176.300 -0.065 0.000 0.978 443 D CA 1.189 55.183 54.000 -0.010 0.000 0.829 443 D CB -0.087 40.700 40.800 -0.021 0.000 0.981 443 D HN 0.258 nan 8.370 nan 0.000 0.464 444 K N 0.056 120.377 120.400 -0.132 0.000 2.211 444 K HA 0.134 4.329 4.320 -0.208 0.000 0.201 444 K C 2.043 178.688 176.600 0.075 0.000 1.052 444 K CA 0.347 56.564 56.287 -0.116 0.000 0.973 444 K CB 0.447 32.709 32.500 -0.398 0.000 0.766 444 K HN -0.056 nan 8.250 nan 0.000 0.466 445 S N 0.120 115.817 115.700 -0.005 0.000 2.444 445 S HA 0.093 4.438 4.470 -0.208 0.000 0.223 445 S C 1.644 176.107 174.600 -0.229 0.000 1.054 445 S CA 0.406 58.527 58.200 -0.132 0.000 0.947 445 S CB -0.089 62.963 63.200 -0.247 0.000 0.850 445 S HN 0.081 nan 8.310 nan 0.000 0.527 446 F N 2.175 122.149 119.950 0.039 0.000 2.147 446 F HA 0.286 4.689 4.527 -0.208 0.000 0.291 446 F C 2.644 178.419 175.800 -0.043 0.000 1.093 446 F CA 0.536 58.532 58.000 -0.007 0.000 1.263 446 F CB -1.125 37.876 39.000 0.003 0.000 1.036 446 F HN 0.149 nan 8.300 nan 0.000 0.481 447 A N 0.855 123.752 122.820 0.129 0.000 1.903 447 A HA -0.194 4.001 4.320 -0.208 0.000 0.219 447 A C -0.211 177.277 177.584 -0.160 0.000 1.191 447 A CA 2.112 54.127 52.037 -0.037 0.000 0.638 447 A CB -2.173 16.769 19.000 -0.096 0.000 0.823 447 A HN 0.255 nan 8.150 nan 0.000 0.451 448 P HA -0.079 nan 4.420 nan 0.000 0.222 448 P C 0.982 178.333 177.300 0.085 0.000 1.147 448 P CA 0.793 63.744 63.100 -0.249 0.000 0.790 448 P CB -0.123 31.539 31.700 -0.064 0.000 0.780 449 L N -1.972 119.295 121.223 0.072 0.000 2.591 449 L HA 0.088 4.303 4.340 -0.208 0.000 0.228 449 L C 0.700 177.515 176.870 -0.092 0.000 1.133 449 L CA 0.031 54.879 54.840 0.014 0.000 0.880 449 L CB -0.373 41.678 42.059 -0.013 0.000 1.033 449 L HN -0.054 nan 8.230 nan 0.000 0.450 450 L N 0.777 121.952 121.223 -0.080 0.000 2.262 450 L HA 0.399 4.614 4.340 -0.208 0.000 0.288 450 L C -0.785 175.976 176.870 -0.181 0.000 1.035 450 L CA -0.360 54.397 54.840 -0.139 0.000 0.820 450 L CB 1.721 43.723 42.059 -0.094 0.000 1.204 450 L HN -0.230 nan 8.230 nan 0.000 0.424 451 V N 3.560 123.308 119.914 -0.276 0.000 2.443 451 V HA 0.314 4.309 4.120 -0.208 0.000 0.293 451 V C 0.045 176.046 176.094 -0.154 0.000 1.021 451 V CA -0.779 61.361 62.300 -0.267 0.000 0.848 451 V CB 1.448 33.078 31.823 -0.321 0.000 0.998 451 V HN 0.855 nan 8.190 nan 0.000 0.424 452 N N 4.021 122.677 118.700 -0.073 0.000 2.727 452 N HA -0.215 4.400 4.740 -0.208 0.000 0.249 452 N C 1.183 176.764 175.510 0.118 0.000 1.048 452 N CA 1.518 54.609 53.050 0.067 0.000 0.714 452 N CB -0.935 37.657 38.487 0.175 0.000 0.959 452 N HN 1.569 nan 8.380 nan 0.000 0.544 453 G N -0.571 108.236 108.800 0.012 0.000 2.162 453 G HA2 -0.341 3.494 3.960 -0.208 0.000 0.260 453 G HA3 -0.341 3.494 3.960 -0.208 0.000 0.260 453 G C -0.202 174.595 174.900 -0.172 0.000 0.976 453 G CA 0.731 45.856 45.100 0.041 0.000 0.655 453 G HN 0.694 nan 8.290 nan 0.000 0.533 454 E N -0.274 119.689 120.200 -0.395 0.000 2.171 454 E HA 0.611 4.836 4.350 -0.208 0.000 0.271 454 E C -0.452 175.934 176.600 -0.356 0.000 0.916 454 E CA -1.127 54.916 56.400 -0.594 0.000 0.774 454 E CB 0.931 30.235 29.700 -0.659 0.000 1.128 454 E HN 0.194 nan 8.360 nan 0.000 0.403 455 L N 5.757 126.828 121.223 -0.254 0.000 2.261 455 L HA 0.303 4.518 4.340 -0.208 0.000 0.289 455 L C -0.292 176.462 176.870 -0.192 0.000 1.059 455 L CA 0.006 54.737 54.840 -0.182 0.000 0.816 455 L CB 0.615 42.609 42.059 -0.108 0.000 1.191 455 L HN 0.744 nan 8.230 nan 0.000 0.431 456 M N 4.457 123.900 119.600 -0.262 0.000 2.409 456 M HA -0.081 4.274 4.480 -0.208 0.000 0.376 456 M C 0.786 176.937 176.300 -0.248 0.000 1.631 456 M CA 0.199 55.326 55.300 -0.289 0.000 0.987 456 M CB 0.011 32.437 32.600 -0.290 0.000 2.090 456 M HN 0.572 nan 8.290 nan 0.000 0.474 457 D N 3.399 123.641 120.400 -0.264 0.000 2.182 457 D HA -0.187 4.328 4.640 -0.208 0.000 0.201 457 D C 1.895 178.083 176.300 -0.188 0.000 0.986 457 D CA 1.514 55.436 54.000 -0.130 0.000 0.847 457 D CB -0.143 40.782 40.800 0.209 0.000 0.942 457 D HN 0.750 nan 8.370 nan 0.000 0.467 458 M N -0.011 119.365 119.600 -0.374 0.000 2.539 458 M HA -0.055 4.301 4.480 -0.208 0.000 0.261 458 M C 1.436 177.646 176.300 -0.149 0.000 1.069 458 M CA 1.457 56.650 55.300 -0.178 0.000 1.081 458 M CB -0.064 32.434 32.600 -0.170 0.000 1.412 458 M HN -0.064 nan 8.290 nan 0.000 0.482 459 S N -0.299 115.302 115.700 -0.164 0.000 2.559 459 S HA 0.266 4.611 4.470 -0.208 0.000 0.226 459 S C 1.331 175.878 174.600 -0.087 0.000 1.000 459 S CA -0.801 57.316 58.200 -0.138 0.000 0.948 459 S CB 0.068 63.183 63.200 -0.143 0.000 0.870 459 S HN 0.667 nan 8.310 nan 0.000 0.497 460 R N 1.175 121.616 120.500 -0.099 0.000 2.362 460 R HA 0.363 4.578 4.340 -0.208 0.000 0.227 460 R C 1.638 177.929 176.300 -0.016 0.000 0.905 460 R CA 0.270 56.357 56.100 -0.021 0.000 1.067 460 R CB -0.113 30.156 30.300 -0.052 0.000 1.078 460 R HN 0.473 nan 8.270 nan 0.000 0.516 461 G N 3.172 111.812 108.800 -0.268 0.000 2.634 461 G HA2 -0.453 3.382 3.960 -0.208 0.000 0.309 461 G HA3 -0.453 3.382 3.960 -0.208 0.000 0.309 461 G C 0.740 175.547 174.900 -0.155 0.000 1.265 461 G CA 0.793 45.655 45.100 -0.397 0.000 0.998 461 G HN 0.505 nan 8.290 nan 0.000 0.551 462 R N 0.292 120.794 120.500 0.003 0.000 2.316 462 R HA 0.241 4.456 4.340 -0.208 0.000 0.202 462 R C 2.336 178.595 176.300 -0.069 0.000 1.029 462 R CA 1.742 57.827 56.100 -0.025 0.000 1.018 462 R CB -0.390 29.945 30.300 0.059 0.000 0.888 462 R HN 0.322 nan 8.270 nan 0.000 0.471 463 S N 1.928 117.597 115.700 -0.053 0.000 2.419 463 S HA -0.097 4.248 4.470 -0.208 0.000 0.235 463 S C 1.899 176.431 174.600 -0.113 0.000 1.019 463 S CA 1.433 59.576 58.200 -0.094 0.000 0.982 463 S CB -0.354 62.795 63.200 -0.085 0.000 0.789 463 S HN 0.602 nan 8.310 nan 0.000 0.490 464 I N 0.756 121.199 120.570 -0.211 0.000 2.567 464 I HA -0.085 3.960 4.170 -0.208 0.000 0.257 464 I C 1.754 177.765 176.117 -0.177 0.000 1.184 464 I CA 1.455 62.536 61.300 -0.366 0.000 1.451 464 I CB -0.587 36.819 38.000 -0.991 0.000 1.089 464 I HN 0.234 nan 8.210 nan 0.000 0.441 465 S N 0.436 116.090 115.700 -0.077 0.000 2.671 465 S HA 0.238 4.583 4.470 -0.208 0.000 0.220 465 S C 0.680 175.460 174.600 0.300 0.000 0.951 465 S CA -0.569 57.736 58.200 0.175 0.000 0.932 465 S CB -0.356 62.858 63.200 0.023 0.000 0.777 465 S HN 0.479 nan 8.310 nan 0.000 0.508 466 R N 0.628 121.177 120.500 0.082 0.000 2.229 466 R HA 0.601 4.816 4.340 -0.208 0.000 0.332 466 R C 1.162 177.126 176.300 -0.560 0.000 0.989 466 R CA 0.113 56.110 56.100 -0.171 0.000 0.842 466 R CB 1.102 31.305 30.300 -0.161 0.000 1.119 466 R HN 0.262 nan 8.270 nan 0.000 0.456 467 A N 3.175 125.296 122.820 -1.165 0.000 1.940 467 A HA -0.219 3.976 4.320 -0.208 0.000 0.219 467 A C 1.516 178.682 177.584 -0.696 0.000 1.176 467 A CA 1.763 52.763 52.037 -1.729 0.000 0.631 467 A CB -0.337 17.589 19.000 -1.789 0.000 0.814 467 A HN 0.828 nan 8.150 nan 0.000 0.446 468 N N -0.608 117.833 118.700 -0.431 0.000 2.383 468 N HA 0.043 4.658 4.740 -0.208 0.000 0.192 468 N C -0.218 175.195 175.510 -0.162 0.000 1.141 468 N CA 0.893 53.806 53.050 -0.229 0.000 0.851 468 N CB -0.062 38.319 38.487 -0.176 0.000 0.976 468 N HN 0.147 nan 8.380 nan 0.000 0.465 469 S N -0.082 115.517 115.700 -0.169 0.000 2.665 469 S HA 0.191 4.536 4.470 -0.208 0.000 0.235 469 S C -0.234 174.349 174.600 -0.030 0.000 1.084 469 S CA -0.719 57.418 58.200 -0.105 0.000 1.151 469 S CB 0.685 63.814 63.200 -0.118 0.000 1.151 469 S HN 0.254 nan 8.310 nan 0.000 0.461 470 E N 0.693 120.907 120.200 0.023 0.000 2.391 470 E HA 0.259 4.484 4.350 -0.208 0.000 0.255 470 E C 1.605 178.267 176.600 0.104 0.000 1.187 470 E CA -0.011 56.495 56.400 0.177 0.000 0.941 470 E CB 0.368 30.233 29.700 0.275 0.000 1.010 470 E HN 0.383 nan 8.360 nan 0.000 0.458 471 G N 0.957 109.867 108.800 0.183 0.000 2.624 471 G HA2 -0.329 3.506 3.960 -0.208 0.000 0.221 471 G HA3 -0.329 3.506 3.960 -0.208 0.000 0.221 471 G C 1.117 175.963 174.900 -0.089 0.000 1.169 471 G CA 1.110 46.245 45.100 0.058 0.000 0.771 471 G HN 0.611 nan 8.290 nan 0.000 0.598 472 H N -0.375 118.652 119.070 -0.071 0.000 2.462 472 H HA 0.025 4.456 4.556 -0.209 0.000 0.292 472 H C 2.810 177.809 175.328 -0.549 0.000 1.049 472 H CA 1.121 57.035 56.048 -0.225 0.000 1.334 472 H CB 0.053 29.723 29.762 -0.154 0.000 1.404 472 H HN 0.284 nan 8.280 nan 0.000 0.544 473 V N 1.040 120.646 119.914 -0.514 0.000 2.323 473 V HA -0.176 3.819 4.120 -0.208 0.000 0.244 473 V C 2.831 178.812 176.094 -0.187 0.000 1.041 473 V CA 1.453 63.472 62.300 -0.468 0.000 1.025 473 V CB -0.893 30.756 31.823 -0.289 0.000 0.656 473 V HN 0.415 nan 8.190 nan 0.000 0.451 474 A N 0.155 122.891 122.820 -0.139 0.000 1.972 474 A HA -0.058 4.137 4.320 -0.208 0.000 0.219 474 A C 2.377 179.901 177.584 -0.099 0.000 1.169 474 A CA 1.821 53.797 52.037 -0.103 0.000 0.635 474 A CB -0.677 18.273 19.000 -0.083 0.000 0.810 474 A HN 0.569 nan 8.150 nan 0.000 0.446 475 A N -0.483 122.272 122.820 -0.109 0.000 2.019 475 A HA 0.028 4.223 4.320 -0.208 0.000 0.219 475 A C 2.057 179.595 177.584 -0.076 0.000 1.164 475 A CA 1.651 53.631 52.037 -0.096 0.000 0.644 475 A CB -0.673 18.261 19.000 -0.110 0.000 0.805 475 A HN 0.414 nan 8.150 nan 0.000 0.449 476 V N -0.074 119.811 119.914 -0.048 0.000 2.809 476 V HA -0.194 3.801 4.120 -0.208 0.000 0.256 476 V C 2.211 178.272 176.094 -0.055 0.000 1.080 476 V CA 1.790 64.077 62.300 -0.021 0.000 1.102 476 V CB -0.740 31.119 31.823 0.060 0.000 0.705 476 V HN 0.604 nan 8.190 nan 0.000 0.475 477 E N 0.160 120.314 120.200 -0.076 0.000 2.072 477 E HA -0.155 4.070 4.350 -0.208 0.000 0.191 477 E C 2.281 178.797 176.600 -0.141 0.000 0.985 477 E CA 1.432 57.775 56.400 -0.095 0.000 0.801 477 E CB -0.106 29.532 29.700 -0.103 0.000 0.750 477 E HN 0.479 nan 8.360 nan 0.000 0.452 478 V N 1.446 121.250 119.914 -0.183 0.000 2.283 478 V HA -0.231 3.764 4.120 -0.208 0.000 0.243 478 V C 2.358 178.313 176.094 -0.232 0.000 1.039 478 V CA 1.315 63.426 62.300 -0.315 0.000 1.016 478 V CB -0.433 31.192 31.823 -0.330 0.000 0.650 478 V HN 0.237 nan 8.190 nan 0.000 0.449 479 L N 0.573 121.709 121.223 -0.145 0.000 2.012 479 L HA -0.220 3.995 4.340 -0.208 0.000 0.210 479 L C 2.873 179.710 176.870 -0.055 0.000 1.073 479 L CA 2.291 57.070 54.840 -0.101 0.000 0.748 479 L CB -0.752 41.255 42.059 -0.086 0.000 0.891 479 L HN 0.439 nan 8.230 nan 0.000 0.431 480 R N 0.184 120.656 120.500 -0.046 0.000 2.148 480 R HA -0.078 4.137 4.340 -0.208 0.000 0.227 480 R C 2.121 178.416 176.300 -0.007 0.000 1.103 480 R CA 1.354 57.453 56.100 -0.002 0.000 0.983 480 R CB -0.962 29.325 30.300 -0.022 0.000 0.874 480 R HN 0.296 nan 8.270 nan 0.000 0.451 481 G N 1.868 110.633 108.800 -0.058 0.000 2.394 481 G HA2 -0.136 3.699 3.960 -0.208 0.000 0.214 481 G HA3 -0.136 3.699 3.960 -0.208 0.000 0.214 481 G C 1.540 176.423 174.900 -0.028 0.000 1.176 481 G CA 0.652 45.718 45.100 -0.057 0.000 0.786 481 G HN 0.214 nan 8.290 nan 0.000 0.533 482 I N -0.252 120.287 120.570 -0.052 0.000 2.226 482 I HA -0.204 3.841 4.170 -0.208 0.000 0.245 482 I C 2.456 178.625 176.117 0.087 0.000 1.100 482 I CA 1.345 62.644 61.300 -0.002 0.000 1.374 482 I CB -0.414 37.566 38.000 -0.033 0.000 1.057 482 I HN 0.287 nan 8.210 nan 0.000 0.413 483 H N 1.082 120.128 119.070 -0.040 0.000 2.353 483 H HA -0.154 4.278 4.556 -0.207 0.000 0.300 483 H C 2.554 177.873 175.328 -0.015 0.000 1.090 483 H CA 1.303 57.334 56.048 -0.028 0.000 1.327 483 H CB 0.225 29.960 29.762 -0.045 0.000 1.383 483 H HN 0.194 nan 8.280 nan 0.000 0.508 484 R N 0.107 120.623 120.500 0.025 0.000 2.083 484 R HA -0.134 4.081 4.340 -0.208 0.000 0.237 484 R C 2.515 178.821 176.300 0.011 0.000 1.137 484 R CA 1.629 57.704 56.100 -0.042 0.000 0.951 484 R CB -0.168 30.120 30.300 -0.021 0.000 0.851 484 R HN 0.365 nan 8.270 nan 0.000 0.434 485 I N 0.481 121.080 120.570 0.049 0.000 2.226 485 I HA -0.287 3.758 4.170 -0.208 0.000 0.245 485 I C 2.573 178.760 176.117 0.116 0.000 1.100 485 I CA 1.295 62.640 61.300 0.074 0.000 1.374 485 I CB -0.346 37.691 38.000 0.062 0.000 1.057 485 I HN 0.228 nan 8.210 nan 0.000 0.413 486 A N 0.265 123.160 122.820 0.124 0.000 1.902 486 A HA -0.304 3.891 4.320 -0.208 0.000 0.217 486 A C 2.004 179.635 177.584 0.078 0.000 1.181 486 A CA 2.287 54.399 52.037 0.125 0.000 0.623 486 A CB -0.747 18.349 19.000 0.160 0.000 0.818 486 A HN 0.451 nan 8.150 nan 0.000 0.443 487 D N 0.026 120.446 120.400 0.034 0.000 2.149 487 D HA -0.177 4.338 4.640 -0.208 0.000 0.198 487 D C 1.905 178.206 176.300 0.002 0.000 0.990 487 D CA 1.772 55.758 54.000 -0.023 0.000 0.839 487 D CB -0.215 40.512 40.800 -0.121 0.000 0.948 487 D HN 0.596 nan 8.370 nan 0.000 0.460 488 M N -1.414 118.200 119.600 0.023 0.000 2.505 488 M HA 0.289 4.644 4.480 -0.208 0.000 0.230 488 M C 0.089 176.419 176.300 0.051 0.000 1.153 488 M CA -0.233 55.087 55.300 0.033 0.000 0.997 488 M CB 0.775 33.398 32.600 0.039 0.000 1.606 488 M HN -0.280 nan 8.290 nan 0.000 0.481 489 S N 1.625 117.361 115.700 0.060 0.000 2.690 489 S HA 0.554 4.899 4.470 -0.208 0.000 0.285 489 S C -0.243 174.364 174.600 0.013 0.000 1.135 489 S CA -0.757 57.476 58.200 0.056 0.000 1.020 489 S CB 1.059 64.297 63.200 0.063 0.000 1.159 489 S HN 0.612 nan 8.310 nan 0.000 0.534 490 E N -1.223 118.966 120.200 -0.019 0.000 2.390 490 E HA 0.538 4.763 4.350 -0.208 0.000 0.280 490 E C -0.024 176.551 176.600 -0.043 0.000 0.992 490 E CA -0.736 55.650 56.400 -0.022 0.000 0.790 490 E CB 0.909 30.599 29.700 -0.016 0.000 1.248 490 E HN 0.870 nan 8.360 nan 0.000 0.447 491 G N 2.405 111.186 108.800 -0.032 0.000 2.528 491 G HA2 -0.377 3.458 3.960 -0.208 0.000 0.262 491 G HA3 -0.377 3.458 3.960 -0.208 0.000 0.262 491 G C 0.660 175.533 174.900 -0.044 0.000 1.200 491 G CA 0.364 45.442 45.100 -0.038 0.000 0.951 491 G HN 0.677 nan 8.290 nan 0.000 0.566 492 E N 0.017 120.184 120.200 -0.055 0.000 2.268 492 E HA -0.070 4.155 4.350 -0.208 0.000 0.195 492 E C 2.651 179.203 176.600 -0.079 0.000 0.995 492 E CA 1.894 58.260 56.400 -0.056 0.000 0.836 492 E CB -0.418 29.250 29.700 -0.054 0.000 0.763 492 E HN 0.514 nan 8.360 nan 0.000 0.491 493 T N 0.860 115.341 114.554 -0.121 0.000 2.737 493 T HA -0.144 4.081 4.350 -0.208 0.000 0.265 493 T C 1.875 176.511 174.700 -0.105 0.000 1.038 493 T CA 1.668 63.655 62.100 -0.188 0.000 1.144 493 T CB -0.071 68.587 68.868 -0.351 0.000 0.866 493 T HN 0.202 nan 8.240 nan 0.000 0.434 494 K N 0.881 121.243 120.400 -0.063 0.000 2.002 494 K HA -0.160 4.035 4.320 -0.208 0.000 0.209 494 K C 2.366 178.967 176.600 0.002 0.000 1.048 494 K CA 1.447 57.729 56.287 -0.008 0.000 0.930 494 K CB -0.105 32.395 32.500 0.001 0.000 0.714 494 K HN 0.369 nan 8.250 nan 0.000 0.438 495 Q N 0.225 120.018 119.800 -0.012 0.000 2.061 495 Q HA -0.231 3.985 4.340 -0.208 0.000 0.204 495 Q C 2.329 178.322 176.000 -0.011 0.000 0.984 495 Q CA 2.092 57.891 55.803 -0.007 0.000 0.846 495 Q CB -0.323 28.407 28.738 -0.014 0.000 0.902 495 Q HN 0.385 nan 8.270 nan 0.000 0.421 496 R N 0.968 121.453 120.500 -0.024 0.000 2.081 496 R HA -0.138 4.077 4.340 -0.208 0.000 0.235 496 R C 2.070 178.361 176.300 -0.015 0.000 1.131 496 R CA 1.232 57.318 56.100 -0.024 0.000 0.960 496 R CB -0.294 29.983 30.300 -0.039 0.000 0.856 496 R HN 0.240 nan 8.270 nan 0.000 0.436 497 L N 0.569 121.790 121.223 -0.004 0.000 2.093 497 L HA -0.127 4.088 4.340 -0.208 0.000 0.208 497 L C 2.784 179.656 176.870 0.003 0.000 1.085 497 L CA 1.379 56.231 54.840 0.020 0.000 0.755 497 L CB -0.493 41.606 42.059 0.066 0.000 0.904 497 L HN 0.371 nan 8.230 nan 0.000 0.435 498 Q N -0.538 119.269 119.800 0.011 0.000 2.061 498 Q HA -0.197 4.018 4.340 -0.208 0.000 0.204 498 Q C 2.446 178.413 176.000 -0.056 0.000 0.984 498 Q CA 1.864 57.660 55.803 -0.013 0.000 0.846 498 Q CB -0.090 28.663 28.738 0.024 0.000 0.902 498 Q HN 0.379 nan 8.270 nan 0.000 0.421 499 S N 0.738 116.419 115.700 -0.032 0.000 2.382 499 S HA -0.125 4.220 4.470 -0.208 0.000 0.228 499 S C 1.770 176.345 174.600 -0.042 0.000 1.027 499 S CA 0.734 58.914 58.200 -0.032 0.000 0.991 499 S CB -0.181 63.008 63.200 -0.018 0.000 0.823 499 S HN 0.233 nan 8.310 nan 0.000 0.469 500 L N 1.651 122.849 121.223 -0.040 0.000 2.027 500 L HA -0.018 4.197 4.340 -0.208 0.000 0.206 500 L C 2.135 178.963 176.870 -0.070 0.000 1.074 500 L CA 1.643 56.457 54.840 -0.044 0.000 0.745 500 L CB -0.702 41.340 42.059 -0.030 0.000 0.898 500 L HN 0.125 nan 8.230 nan 0.000 0.433 501 V N -0.213 119.639 119.914 -0.104 0.000 2.358 501 V HA -0.286 3.709 4.120 -0.208 0.000 0.246 501 V C 2.623 178.620 176.094 -0.162 0.000 1.047 501 V CA 2.047 64.249 62.300 -0.162 0.000 1.035 501 V CB -0.738 30.907 31.823 -0.297 0.000 0.658 501 V HN 0.500 nan 8.190 nan 0.000 0.452 502 K N -0.268 120.042 120.400 -0.149 0.000 2.026 502 K HA -0.227 3.968 4.320 -0.208 0.000 0.208 502 K C 2.396 178.957 176.600 -0.066 0.000 1.048 502 K CA 2.062 58.283 56.287 -0.110 0.000 0.929 502 K CB -0.422 32.031 32.500 -0.079 0.000 0.713 502 K HN 0.447 nan 8.250 nan 0.000 0.439 503 T N 0.603 115.128 114.554 -0.049 0.000 2.746 503 T HA -0.080 4.145 4.350 -0.208 0.000 0.267 503 T C 1.835 176.519 174.700 -0.025 0.000 1.039 503 T CA 1.389 63.474 62.100 -0.025 0.000 1.142 503 T CB -0.142 68.718 68.868 -0.015 0.000 0.866 503 T HN 0.223 nan 8.240 nan 0.000 0.444 504 I N 0.575 121.118 120.570 -0.044 0.000 2.179 504 I HA -0.133 3.912 4.170 -0.208 0.000 0.242 504 I C 2.527 178.632 176.117 -0.019 0.000 1.088 504 I CA 0.960 62.235 61.300 -0.041 0.000 1.357 504 I CB -0.362 37.602 38.000 -0.060 0.000 1.051 504 I HN 0.129 nan 8.210 nan 0.000 0.409 505 V N 0.495 120.384 119.914 -0.042 0.000 2.332 505 V HA -0.313 3.682 4.120 -0.208 0.000 0.248 505 V C 2.337 178.427 176.094 -0.007 0.000 1.055 505 V CA 1.873 64.151 62.300 -0.037 0.000 1.038 505 V CB -0.745 31.016 31.823 -0.103 0.000 0.651 505 V HN 0.500 nan 8.190 nan 0.000 0.450 506 Q N 0.148 119.943 119.800 -0.009 0.000 2.369 506 Q HA -0.108 4.107 4.340 -0.208 0.000 0.206 506 Q C 2.292 178.315 176.000 0.037 0.000 0.963 506 Q CA 1.491 57.301 55.803 0.012 0.000 0.894 506 Q CB -0.182 28.560 28.738 0.007 0.000 0.965 506 Q HN 0.810 nan 8.270 nan 0.000 0.475 507 S N -0.137 115.589 115.700 0.044 0.000 2.527 507 S HA -0.047 4.298 4.470 -0.208 0.000 0.222 507 S C 0.621 175.286 174.600 0.108 0.000 0.985 507 S CA -0.002 58.240 58.200 0.070 0.000 0.921 507 S CB 0.190 63.424 63.200 0.057 0.000 0.772 507 S HN 0.087 nan 8.310 nan 0.000 0.529 508 D N 2.726 123.195 120.400 0.116 0.000 2.422 508 D HA 0.264 4.779 4.640 -0.208 0.000 0.227 508 D C 0.926 177.309 176.300 0.139 0.000 1.190 508 D CA 0.031 54.141 54.000 0.183 0.000 0.905 508 D CB 1.085 42.024 40.800 0.232 0.000 1.034 508 D HN 0.380 nan 8.370 nan 0.000 0.507 509 S N 2.777 118.565 115.700 0.147 0.000 2.558 509 S HA -0.096 4.249 4.470 -0.208 0.000 0.217 509 S C 1.548 176.223 174.600 0.125 0.000 0.975 509 S CA -0.167 58.099 58.200 0.110 0.000 0.912 509 S CB -0.182 63.081 63.200 0.105 0.000 0.776 509 S HN 0.565 nan 8.310 nan 0.000 0.526 510 Y N 1.207 121.500 120.300 -0.013 0.000 2.396 510 Y HA 0.378 4.804 4.550 -0.208 0.000 0.292 510 Y C 0.278 176.149 175.900 -0.047 0.000 1.128 510 Y CA -0.412 57.641 58.100 -0.079 0.000 1.194 510 Y CB 0.016 38.347 38.460 -0.216 0.000 1.124 510 Y HN 0.298 nan 8.280 nan 0.000 0.543 511 Y N 1.931 122.011 120.300 -0.368 0.000 2.341 511 Y HA 0.334 4.759 4.550 -0.209 0.000 0.337 511 Y C -0.812 175.003 175.900 -0.142 0.000 1.014 511 Y CA -1.836 56.047 58.100 -0.362 0.000 1.111 511 Y CB 0.677 39.012 38.460 -0.208 0.000 1.194 511 Y HN 0.043 nan 8.280 nan 0.000 0.462 512 D N 5.251 125.227 120.400 -0.706 0.000 2.374 512 D HA -0.007 4.508 4.640 -0.208 0.000 0.240 512 D C 1.094 177.039 176.300 -0.592 0.000 1.229 512 D CA 0.358 54.076 54.000 -0.471 0.000 0.895 512 D CB 1.129 41.733 40.800 -0.327 0.000 1.046 512 D HN 0.596 nan 8.370 nan 0.000 0.498 513 V N 5.108 124.829 119.914 -0.322 0.000 2.363 513 V HA -0.317 3.678 4.120 -0.208 0.000 0.254 513 V C 1.682 177.591 176.094 -0.309 0.000 1.074 513 V CA 1.865 64.004 62.300 -0.268 0.000 1.069 513 V CB -0.643 30.954 31.823 -0.376 0.000 0.659 513 V HN 0.567 nan 8.190 nan 0.000 0.455 514 F N 0.363 120.240 119.950 -0.121 0.000 2.451 514 F HA -0.028 4.373 4.527 -0.209 0.000 0.299 514 F C 2.240 177.985 175.800 -0.092 0.000 1.101 514 F CA 1.283 59.236 58.000 -0.079 0.000 1.436 514 F CB -0.508 38.452 39.000 -0.067 0.000 1.074 514 F HN 0.157 nan 8.300 nan 0.000 0.553 515 K N -0.332 120.030 120.400 -0.062 0.000 2.515 515 K HA -0.131 4.064 4.320 -0.208 0.000 0.196 515 K C 0.766 177.409 176.600 0.072 0.000 1.038 515 K CA 0.778 57.029 56.287 -0.059 0.000 0.967 515 K CB -0.191 32.148 32.500 -0.269 0.000 0.780 515 K HN 0.093 nan 8.250 nan 0.000 0.483 516 N N 0.286 119.045 118.700 0.098 0.000 2.387 516 N HA 0.140 4.755 4.740 -0.208 0.000 0.259 516 N C -1.362 174.177 175.510 0.048 0.000 1.369 516 N CA -0.063 53.050 53.050 0.106 0.000 0.867 516 N CB 0.610 39.203 38.487 0.177 0.000 1.341 516 N HN -0.053 nan 8.380 nan 0.000 0.495 517 L N 1.481 122.737 121.223 0.053 0.000 2.313 517 L HA 0.419 4.634 4.340 -0.208 0.000 0.273 517 L C 0.504 177.396 176.870 0.036 0.000 1.028 517 L CA -0.486 54.381 54.840 0.045 0.000 0.871 517 L CB 1.138 43.255 42.059 0.096 0.000 1.242 517 L HN -0.198 nan 8.230 nan 0.000 0.434 518 K N 1.549 121.936 120.400 -0.021 0.000 2.500 518 K HA 0.188 4.383 4.320 -0.208 0.000 0.206 518 K C 0.371 176.877 176.600 -0.157 0.000 1.034 518 K CA -0.017 56.228 56.287 -0.070 0.000 1.179 518 K CB 0.177 32.636 32.500 -0.069 0.000 0.884 518 K HN 0.601 nan 8.250 nan 0.000 0.493 519 T N -3.722 110.736 114.554 -0.160 0.000 2.923 519 T HA 0.331 4.556 4.350 -0.208 0.000 0.311 519 T C 0.596 175.199 174.700 -0.161 0.000 1.183 519 T CA -0.725 61.217 62.100 -0.263 0.000 1.020 519 T CB 0.725 69.485 68.868 -0.180 0.000 1.165 519 T HN -0.063 nan 8.240 nan 0.000 0.482 520 Y N 1.050 121.403 120.300 0.088 0.000 2.256 520 Y HA 0.051 4.474 4.550 -0.211 0.000 0.288 520 Y C 2.520 178.428 175.900 0.013 0.000 1.155 520 Y CA 1.129 59.296 58.100 0.112 0.000 1.203 520 Y CB -0.525 38.069 38.460 0.224 0.000 0.980 520 Y HN 0.582 nan 8.280 nan 0.000 0.530 521 K N 0.596 121.023 120.400 0.044 0.000 2.097 521 K HA -0.115 4.080 4.320 -0.208 0.000 0.205 521 K C 1.401 177.909 176.600 -0.154 0.000 1.050 521 K CA 1.533 57.663 56.287 -0.262 0.000 0.938 521 K CB -0.402 31.876 32.500 -0.369 0.000 0.718 521 K HN 0.166 nan 8.250 nan 0.000 0.442 522 D N 0.056 120.415 120.400 -0.068 0.000 2.144 522 D HA -0.082 4.434 4.640 -0.208 0.000 0.200 522 D C 1.926 178.266 176.300 0.065 0.000 0.978 522 D CA 1.053 55.035 54.000 -0.031 0.000 0.833 522 D CB 0.022 40.808 40.800 -0.023 0.000 0.961 522 D HN 0.250 nan 8.370 nan 0.000 0.470 523 I N 0.433 121.084 120.570 0.135 0.000 2.202 523 I HA -0.236 3.809 4.170 -0.208 0.000 0.242 523 I C 2.566 178.826 176.117 0.237 0.000 1.091 523 I CA 0.713 62.189 61.300 0.293 0.000 1.368 523 I CB -0.205 37.949 38.000 0.256 0.000 1.058 523 I HN -0.066 nan 8.210 nan 0.000 0.410 524 S N 1.189 116.946 115.700 0.095 0.000 2.359 524 S HA -0.177 4.168 4.470 -0.208 0.000 0.224 524 S C 2.127 176.745 174.600 0.030 0.000 1.035 524 S CA 1.405 59.621 58.200 0.028 0.000 1.018 524 S CB -0.385 62.775 63.200 -0.067 0.000 0.876 524 S HN 0.320 nan 8.310 nan 0.000 0.448 525 L N 0.315 121.520 121.223 -0.031 0.000 2.042 525 L HA -0.149 4.066 4.340 -0.208 0.000 0.210 525 L C 2.753 179.748 176.870 0.207 0.000 1.076 525 L CA 1.816 56.616 54.840 -0.067 0.000 0.749 525 L CB -0.443 41.411 42.059 -0.340 0.000 0.893 525 L HN 0.424 nan 8.230 nan 0.000 0.432 526 M N -0.416 119.336 119.600 0.254 0.000 2.117 526 M HA -0.219 4.136 4.480 -0.208 0.000 0.262 526 M C 2.201 178.642 176.300 0.235 0.000 1.065 526 M CA 1.811 57.256 55.300 0.241 0.000 1.114 526 M CB -0.353 32.267 32.600 0.032 0.000 1.361 526 M HN 0.132 nan 8.290 nan 0.000 0.408 527 Q N -0.786 119.197 119.800 0.304 0.000 2.050 527 Q HA -0.170 4.045 4.340 -0.208 0.000 0.202 527 Q C 2.114 178.192 176.000 0.130 0.000 0.980 527 Q CA 2.338 58.285 55.803 0.239 0.000 0.840 527 Q CB -0.404 28.417 28.738 0.139 0.000 0.898 527 Q HN 0.764 nan 8.270 nan 0.000 0.424 528 S N 0.648 116.409 115.700 0.102 0.000 2.399 528 S HA -0.126 4.219 4.470 -0.208 0.000 0.231 528 S C 1.901 176.549 174.600 0.079 0.000 1.022 528 S CA 0.587 58.828 58.200 0.069 0.000 0.983 528 S CB -0.423 62.804 63.200 0.046 0.000 0.803 528 S HN 0.334 nan 8.310 nan 0.000 0.480 529 L N 1.040 122.334 121.223 0.118 0.000 1.994 529 L HA -0.000 4.215 4.340 -0.208 0.000 0.208 529 L C 2.450 179.340 176.870 0.033 0.000 1.071 529 L CA 1.782 56.673 54.840 0.085 0.000 0.745 529 L CB -0.646 41.450 42.059 0.062 0.000 0.892 529 L HN 0.402 nan 8.230 nan 0.000 0.431 530 L N -0.292 120.956 121.223 0.041 0.000 2.265 530 L HA -0.162 4.053 4.340 -0.208 0.000 0.215 530 L C 2.508 179.401 176.870 0.037 0.000 1.117 530 L CA 1.335 56.195 54.840 0.032 0.000 0.782 530 L CB -0.384 41.713 42.059 0.063 0.000 0.914 530 L HN 0.423 nan 8.230 nan 0.000 0.441 531 S N -3.004 112.722 115.700 0.044 0.000 2.511 531 S HA -0.003 4.342 4.470 -0.208 0.000 0.214 531 S C 0.696 175.310 174.600 0.023 0.000 0.997 531 S CA -0.448 57.771 58.200 0.032 0.000 0.908 531 S CB -0.050 63.169 63.200 0.031 0.000 0.803 531 S HN 0.226 nan 8.310 nan 0.000 0.504 532 D N 2.273 122.689 120.400 0.025 0.000 2.344 532 D HA 0.478 4.993 4.640 -0.208 0.000 0.253 532 D C 1.065 177.374 176.300 0.014 0.000 1.255 532 D CA 0.108 54.120 54.000 0.020 0.000 0.894 532 D CB 1.219 42.035 40.800 0.025 0.000 1.067 532 D HN 0.239 nan 8.370 nan 0.000 0.492 533 A N 3.273 126.100 122.820 0.012 0.000 2.172 533 A HA 0.041 4.236 4.320 -0.208 0.000 0.216 533 A C 1.981 179.569 177.584 0.008 0.000 1.154 533 A CA 1.174 53.216 52.037 0.009 0.000 0.701 533 A CB -0.260 18.745 19.000 0.008 0.000 0.789 533 A HN 0.613 nan 8.150 nan 0.000 0.465 534 G N -0.903 107.902 108.800 0.008 0.000 2.484 534 G HA2 0.203 4.038 3.960 -0.208 0.000 0.218 534 G HA3 0.203 4.038 3.960 -0.208 0.000 0.218 534 G C 0.461 175.365 174.900 0.006 0.000 1.130 534 G CA 0.660 45.764 45.100 0.007 0.000 0.784 534 G HN 0.265 nan 8.290 nan 0.000 0.543 535 V N 1.687 121.605 119.914 0.007 0.000 2.385 535 V HA 0.598 4.593 4.120 -0.208 0.000 0.269 535 V C 0.706 176.799 176.094 -0.001 0.000 1.043 535 V CA -1.062 61.239 62.300 0.003 0.000 0.906 535 V CB 0.688 32.513 31.823 0.003 0.000 0.995 535 V HN 0.393 nan 8.190 nan 0.000 0.467 536 A N 4.183 127.002 122.820 -0.002 0.000 2.445 536 A HA 0.509 4.704 4.320 -0.208 0.000 0.242 536 A C 0.555 178.136 177.584 -0.004 0.000 1.075 536 A CA 0.090 52.126 52.037 -0.001 0.000 0.777 536 A CB 0.536 19.536 19.000 0.001 0.000 1.013 536 A HN 0.893 nan 8.150 nan 0.000 0.493 537 S N 1.926 117.627 115.700 0.000 0.000 2.389 537 S HA 0.488 4.833 4.470 -0.208 0.000 0.201 537 S C -1.026 173.580 174.600 0.010 0.000 1.422 537 S CA -0.469 57.731 58.200 -0.000 0.000 1.216 537 S CB -0.139 63.060 63.200 -0.002 0.000 1.130 537 S HN 0.673 nan 8.310 nan 0.000 0.465 538 V N 5.451 125.373 119.914 0.013 0.000 2.513 538 V HA 0.531 4.526 4.120 -0.208 0.000 0.299 538 V C -2.151 173.964 176.094 0.035 0.000 1.035 538 V CA -2.057 60.257 62.300 0.024 0.000 0.889 538 V CB 1.494 33.331 31.823 0.023 0.000 0.988 538 V HN 0.607 nan 8.190 nan 0.000 0.440 539 P HA 0.081 nan 4.420 nan 0.000 0.263 539 P C -0.147 177.208 177.300 0.092 0.000 1.175 539 P CA 0.183 63.328 63.100 0.074 0.000 0.761 539 P CB 0.338 32.091 31.700 0.087 0.000 0.794 540 R N 1.025 121.589 120.500 0.106 0.000 2.643 540 R HA 0.244 4.459 4.340 -0.208 0.000 0.270 540 R C 1.022 177.467 176.300 0.242 0.000 1.061 540 R CA 0.032 56.214 56.100 0.135 0.000 1.107 540 R CB 0.184 30.532 30.300 0.080 0.000 0.999 540 R HN 0.423 nan 8.270 nan 0.000 0.460 541 T N 0.477 115.156 114.554 0.209 0.000 2.816 541 T HA 0.106 4.331 4.350 -0.208 0.000 0.282 541 T C 0.216 175.081 174.700 0.275 0.000 0.993 541 T CA -0.420 61.794 62.100 0.190 0.000 0.994 541 T CB 0.718 69.658 68.868 0.121 0.000 1.025 541 T HN 0.502 nan 8.240 nan 0.000 0.529 542 S N 1.634 117.397 115.700 0.105 0.000 2.568 542 S HA 0.440 4.785 4.470 -0.208 0.000 0.282 542 S C -1.007 173.666 174.600 0.121 0.000 1.338 542 S CA -0.103 58.086 58.200 -0.018 0.000 1.045 542 S CB -0.163 62.959 63.200 -0.130 0.000 0.873 542 S HN 0.651 nan 8.310 nan 0.000 0.516 543 Y N -0.361 119.980 120.300 0.069 0.000 2.624 543 Y HA 0.737 5.162 4.550 -0.208 0.000 0.334 543 Y C -1.656 174.255 175.900 0.018 0.000 1.155 543 Y CA -1.476 56.647 58.100 0.039 0.000 1.046 543 Y CB 1.000 39.490 38.460 0.050 0.000 1.316 543 Y HN 0.509 nan 8.280 nan 0.000 0.457 544 L N 2.467 123.821 121.223 0.219 0.000 2.528 544 L HA 0.665 4.880 4.340 -0.208 0.000 0.267 544 L C -1.394 175.485 176.870 0.015 0.000 0.961 544 L CA -0.329 54.571 54.840 0.100 0.000 0.866 544 L CB 1.951 44.023 42.059 0.020 0.000 1.248 544 L HN 0.831 nan 8.230 nan 0.000 0.404 545 S N 3.330 118.974 115.700 -0.092 0.000 2.456 545 S HA 0.673 5.018 4.470 -0.208 0.000 0.316 545 S C 0.001 174.262 174.600 -0.564 0.000 1.089 545 S CA -0.446 57.488 58.200 -0.443 0.000 1.101 545 S CB 1.636 64.329 63.200 -0.844 0.000 0.995 545 S HN 0.653 nan 8.310 nan 0.000 0.468 546 A N 3.508 126.065 122.820 -0.438 0.000 2.582 546 A HA 0.533 4.728 4.320 -0.208 0.000 0.336 546 A C -0.482 176.929 177.584 -0.289 0.000 1.445 546 A CA -0.492 51.352 52.037 -0.322 0.000 0.997 546 A CB -0.652 18.191 19.000 -0.262 0.000 1.148 546 A HN 0.684 nan 8.150 nan 0.000 0.514 547 F N 2.057 121.965 119.950 -0.069 0.000 2.662 547 F HA 0.103 4.506 4.527 -0.208 0.000 0.365 547 F C 1.345 177.084 175.800 -0.101 0.000 1.222 547 F CA -0.561 57.396 58.000 -0.072 0.000 1.315 547 F CB -0.507 38.458 39.000 -0.058 0.000 1.711 547 F HN 0.547 nan 8.300 nan 0.000 0.651 548 N N 0.876 119.578 118.700 0.003 0.000 2.364 548 N HA -0.137 4.478 4.740 -0.208 0.000 0.183 548 N C 1.758 177.250 175.510 -0.030 0.000 1.022 548 N CA 0.783 53.811 53.050 -0.037 0.000 0.883 548 N CB 0.156 38.565 38.487 -0.130 0.000 0.965 548 N HN 0.274 nan 8.380 nan 0.000 0.438 549 K N 0.695 121.043 120.400 -0.088 0.000 2.486 549 K HA 0.059 4.254 4.320 -0.208 0.000 0.194 549 K C 1.520 177.924 176.600 -0.327 0.000 1.033 549 K CA 0.341 56.447 56.287 -0.301 0.000 1.004 549 K CB 0.078 32.187 32.500 -0.652 0.000 0.798 549 K HN 0.464 nan 8.250 nan 0.000 0.495 550 M N -2.083 117.426 119.600 -0.152 0.000 2.410 550 M HA 0.262 4.617 4.480 -0.208 0.000 0.376 550 M C -1.102 175.191 176.300 -0.012 0.000 1.051 550 M CA -0.120 55.113 55.300 -0.111 0.000 0.949 550 M CB 0.658 33.169 32.600 -0.148 0.000 1.577 550 M HN -0.219 nan 8.290 nan 0.000 0.560 551 D N 2.304 122.714 120.400 0.017 0.000 2.708 551 D HA -0.109 4.406 4.640 -0.208 0.000 0.236 551 D C -0.748 175.588 176.300 0.059 0.000 1.146 551 D CA 1.058 55.088 54.000 0.049 0.000 0.662 551 D CB -0.520 40.329 40.800 0.082 0.000 1.059 551 D HN 0.533 nan 8.370 nan 0.000 0.428 552 K N -0.205 120.247 120.400 0.087 0.000 2.435 552 K HA 0.662 4.857 4.320 -0.208 0.000 0.251 552 K C -0.029 176.655 176.600 0.139 0.000 0.954 552 K CA -0.530 55.820 56.287 0.105 0.000 0.820 552 K CB 2.312 34.887 32.500 0.125 0.000 1.292 552 K HN -0.130 nan 8.250 nan 0.000 0.436 553 T N 0.565 115.156 114.554 0.061 0.000 2.928 553 T HA 0.585 4.810 4.350 -0.208 0.000 0.296 553 T C -1.223 173.500 174.700 0.039 0.000 1.000 553 T CA -0.665 61.434 62.100 -0.002 0.000 0.989 553 T CB 1.696 70.543 68.868 -0.035 0.000 1.005 553 T HN 0.616 nan 8.240 nan 0.000 0.442 554 A N 3.954 126.796 122.820 0.036 0.000 2.331 554 A HA 0.885 5.080 4.320 -0.208 0.000 0.320 554 A C -0.500 177.186 177.584 0.170 0.000 1.138 554 A CA -0.782 51.343 52.037 0.147 0.000 0.790 554 A CB 1.080 20.233 19.000 0.255 0.000 1.206 554 A HN 0.872 nan 8.150 nan 0.000 0.470 555 M N 3.107 122.829 119.600 0.204 0.000 2.395 555 M HA 0.683 5.038 4.480 -0.208 0.000 0.307 555 M C -2.346 173.925 176.300 -0.047 0.000 1.091 555 M CA -0.634 54.725 55.300 0.098 0.000 0.919 555 M CB 1.973 34.710 32.600 0.227 0.000 1.662 555 M HN 0.779 nan 8.290 nan 0.000 0.440 556 Y N 4.247 124.188 120.300 -0.598 0.000 2.386 556 Y HA 0.462 4.887 4.550 -0.208 0.000 0.334 556 Y C -1.601 173.925 175.900 -0.623 0.000 1.002 556 Y CA -0.848 56.819 58.100 -0.723 0.000 1.068 556 Y CB 1.373 39.108 38.460 -1.208 0.000 1.203 556 Y HN 0.778 nan 8.280 nan 0.000 0.443 557 N N 4.473 122.333 118.700 -1.401 0.000 2.469 557 N HA 0.378 4.993 4.740 -0.208 0.000 0.253 557 N C 0.049 174.833 175.510 -1.210 0.000 0.970 557 N CA 0.499 52.884 53.050 -1.108 0.000 0.940 557 N CB 1.883 39.700 38.487 -1.115 0.000 1.128 557 N HN 0.899 nan 8.380 nan 0.000 0.503 558 A N 3.391 125.725 122.820 -0.809 0.000 1.970 558 A HA -0.077 4.118 4.320 -0.208 0.000 0.216 558 A C 1.808 179.271 177.584 -0.203 0.000 1.170 558 A CA 1.000 52.792 52.037 -0.408 0.000 0.645 558 A CB -0.343 18.632 19.000 -0.041 0.000 0.816 558 A HN 0.825 nan 8.150 nan 0.000 0.447 559 E N 0.114 120.201 120.200 -0.188 0.000 2.051 559 E HA -0.183 4.042 4.350 -0.208 0.000 0.192 559 E C 1.567 178.134 176.600 -0.055 0.000 0.991 559 E CA 1.281 57.628 56.400 -0.088 0.000 0.799 559 E CB -0.068 29.589 29.700 -0.071 0.000 0.748 559 E HN 0.507 nan 8.360 nan 0.000 0.449 560 K N -0.969 119.386 120.400 -0.074 0.000 2.361 560 K HA 0.090 4.285 4.320 -0.208 0.000 0.194 560 K C 0.553 177.198 176.600 0.075 0.000 1.032 560 K CA 0.597 56.914 56.287 0.051 0.000 1.048 560 K CB 0.939 33.553 32.500 0.189 0.000 0.842 560 K HN 0.293 nan 8.250 nan 0.000 0.526 561 G N 2.881 111.625 108.800 -0.093 0.000 2.368 561 G HA2 -0.243 3.592 3.960 -0.208 0.000 0.290 561 G HA3 -0.243 3.592 3.960 -0.208 0.000 0.290 561 G C -0.338 174.651 174.900 0.148 0.000 1.098 561 G CA 0.350 45.441 45.100 -0.016 0.000 1.073 561 G HN 0.341 nan 8.290 nan 0.000 0.511 562 F N -1.214 118.714 119.950 -0.037 0.000 2.613 562 F HA 0.861 5.263 4.527 -0.208 0.000 0.310 562 F C 0.159 176.075 175.800 0.194 0.000 1.085 562 F CA -1.342 56.735 58.000 0.129 0.000 0.945 562 F CB 1.055 40.119 39.000 0.106 0.000 1.298 562 F HN 0.465 nan 8.300 nan 0.000 0.455 563 G N 1.137 110.288 108.800 0.585 0.000 2.454 563 G HA2 0.644 4.479 3.960 -0.208 0.000 0.329 563 G HA3 0.644 4.479 3.960 -0.208 0.000 0.329 563 G C -2.514 172.858 174.900 0.786 0.000 1.177 563 G CA -0.874 44.565 45.100 0.564 0.000 0.951 563 G HN 0.847 nan 8.290 nan 0.000 0.485 564 F N 0.846 121.079 119.950 0.472 0.000 2.561 564 F HA 0.695 5.098 4.527 -0.208 0.000 0.313 564 F C -0.022 176.009 175.800 0.384 0.000 1.126 564 F CA -0.878 57.403 58.000 0.469 0.000 0.918 564 F CB 2.222 41.474 39.000 0.421 0.000 1.199 564 F HN 0.717 nan 8.300 nan 0.000 0.444 565 G N 5.793 114.428 108.800 -0.275 0.000 2.544 565 G HA2 0.564 4.399 3.960 -0.208 0.000 0.313 565 G HA3 0.564 4.399 3.960 -0.208 0.000 0.313 565 G C -2.460 172.158 174.900 -0.470 0.000 1.316 565 G CA -0.671 44.298 45.100 -0.219 0.000 0.944 565 G HN 0.646 nan 8.290 nan 0.000 0.489 566 L N 2.465 123.458 121.223 -0.384 0.000 2.294 566 L HA 0.668 4.883 4.340 -0.208 0.000 0.283 566 L C 0.187 176.970 176.870 -0.146 0.000 1.015 566 L CA -0.645 53.977 54.840 -0.364 0.000 0.831 566 L CB 1.743 43.543 42.059 -0.431 0.000 1.217 566 L HN 0.378 nan 8.230 nan 0.000 0.420 567 S N 6.038 121.720 115.700 -0.029 0.000 2.420 567 S HA 0.765 5.110 4.470 -0.208 0.000 0.313 567 S C -0.451 174.210 174.600 0.101 0.000 1.079 567 S CA -0.522 57.724 58.200 0.076 0.000 1.104 567 S CB -0.097 63.230 63.200 0.212 0.000 0.969 567 S HN 0.585 nan 8.310 nan 0.000 0.471 568 L N 3.875 125.171 121.223 0.122 0.000 2.183 568 L HA 0.860 5.075 4.340 -0.208 0.000 0.253 568 L C -0.740 176.365 176.870 0.391 0.000 1.048 568 L CA -1.277 53.710 54.840 0.245 0.000 0.890 568 L CB 1.452 43.584 42.059 0.122 0.000 1.476 568 L HN 0.713 nan 8.230 nan 0.000 0.455 569 F N -1.115 118.928 119.950 0.155 0.000 2.773 569 F HA 0.797 5.199 4.527 -0.208 0.000 0.314 569 F C -0.715 175.181 175.800 0.161 0.000 1.160 569 F CA -0.507 57.577 58.000 0.139 0.000 0.920 569 F CB 1.170 40.265 39.000 0.159 0.000 1.323 569 F HN 0.580 nan 8.300 nan 0.000 0.457 570 S N -0.433 115.247 115.700 -0.034 0.000 2.929 570 S HA 0.408 4.753 4.470 -0.208 0.000 0.311 570 S C 0.321 174.914 174.600 -0.012 0.000 1.213 570 S CA -0.035 58.080 58.200 -0.141 0.000 0.908 570 S CB 0.536 63.721 63.200 -0.025 0.000 1.287 570 S HN 1.513 nan 8.310 nan 0.000 0.594 571 S N 0.489 116.194 115.700 0.008 0.000 2.474 571 S HA -0.014 4.331 4.470 -0.208 0.000 0.235 571 S C 1.359 176.001 174.600 0.070 0.000 0.997 571 S CA 0.575 58.805 58.200 0.050 0.000 0.949 571 S CB -0.638 62.586 63.200 0.040 0.000 0.766 571 S HN 0.676 nan 8.310 nan 0.000 0.517 572 R N 1.427 121.965 120.500 0.063 0.000 2.280 572 R HA 0.185 4.400 4.340 -0.208 0.000 0.195 572 R C 0.320 176.663 176.300 0.070 0.000 0.935 572 R CA 0.830 56.964 56.100 0.057 0.000 1.033 572 R CB 0.171 30.491 30.300 0.034 0.000 0.964 572 R HN 0.619 nan 8.270 nan 0.000 0.489 573 T N -2.164 112.464 114.554 0.124 0.000 2.903 573 T HA 0.425 4.650 4.350 -0.208 0.000 0.299 573 T C -0.746 174.100 174.700 0.243 0.000 1.093 573 T CA -0.967 61.217 62.100 0.141 0.000 1.002 573 T CB 1.860 70.802 68.868 0.124 0.000 1.127 573 T HN -0.120 nan 8.240 nan 0.000 0.488 574 L N 3.028 124.329 121.223 0.131 0.000 2.397 574 L HA 0.352 4.567 4.340 -0.208 0.000 0.271 574 L C 1.520 178.374 176.870 -0.026 0.000 1.148 574 L CA -0.171 54.712 54.840 0.073 0.000 0.825 574 L CB 0.637 42.682 42.059 -0.024 0.000 1.117 574 L HN 0.905 nan 8.230 nan 0.000 0.456 575 N N 2.359 120.873 118.700 -0.310 0.000 2.135 575 N HA -0.093 4.522 4.740 -0.208 0.000 0.186 575 N C -0.463 174.959 175.510 -0.147 0.000 1.027 575 N CA 1.480 54.124 53.050 -0.676 0.000 0.849 575 N CB -0.396 37.250 38.487 -1.401 0.000 1.002 575 N HN 0.574 nan 8.380 nan 0.000 0.425 576 Y N -2.544 117.616 120.300 -0.233 0.000 2.581 576 Y HA 0.613 5.038 4.550 -0.208 0.000 0.337 576 Y C -1.323 174.512 175.900 -0.108 0.000 1.108 576 Y CA -1.722 56.275 58.100 -0.173 0.000 1.033 576 Y CB 0.895 39.252 38.460 -0.172 0.000 1.318 576 Y HN 0.033 nan 8.280 nan 0.000 0.459 577 E N 2.686 122.770 120.200 -0.193 0.000 2.133 577 E HA 0.223 4.448 4.350 -0.208 0.000 0.274 577 E C -1.714 174.855 176.600 -0.052 0.000 0.930 577 E CA -0.729 55.558 56.400 -0.188 0.000 0.770 577 E CB 0.726 30.415 29.700 -0.018 0.000 1.104 577 E HN 0.884 nan 8.360 nan 0.000 0.403 578 H N 6.830 125.755 119.070 -0.242 0.000 2.762 578 H HA 0.415 4.846 4.556 -0.208 0.000 0.310 578 H C -1.226 174.062 175.328 -0.067 0.000 1.004 578 H CA -0.798 55.197 56.048 -0.090 0.000 1.267 578 H CB 0.883 30.630 29.762 -0.025 0.000 1.437 578 H HN 0.611 nan 8.280 nan 0.000 0.498 579 M N 4.864 124.428 119.600 -0.060 0.000 2.520 579 M HA 0.236 4.591 4.480 -0.208 0.000 0.283 579 M C -1.061 175.206 176.300 -0.056 0.000 1.237 579 M CA -0.509 54.706 55.300 -0.141 0.000 0.885 579 M CB 1.804 34.377 32.600 -0.045 0.000 1.727 579 M HN 0.710 nan 8.290 nan 0.000 0.468 580 N N 2.325 120.981 118.700 -0.074 0.000 2.708 580 N HA -0.198 4.417 4.740 -0.208 0.000 0.249 580 N C -0.756 174.758 175.510 0.006 0.000 1.097 580 N CA 1.654 54.684 53.050 -0.033 0.000 0.710 580 N CB -1.300 37.160 38.487 -0.044 0.000 1.032 580 N HN 0.880 nan 8.380 nan 0.000 0.551 581 K N -2.141 118.283 120.400 0.040 0.000 3.341 581 K HA -0.244 3.951 4.320 -0.208 0.000 0.305 581 K C -0.668 176.024 176.600 0.153 0.000 1.270 581 K CA 1.519 57.897 56.287 0.152 0.000 0.897 581 K CB -0.845 31.705 32.500 0.084 0.000 1.264 581 K HN 0.584 nan 8.250 nan 0.000 0.468 582 E N 0.550 120.848 120.200 0.164 0.000 2.195 582 E HA 0.312 4.537 4.350 -0.208 0.000 0.271 582 E C -0.167 176.497 176.600 0.107 0.000 0.923 582 E CA -1.102 55.352 56.400 0.089 0.000 0.790 582 E CB 1.219 30.936 29.700 0.027 0.000 1.155 582 E HN 0.199 nan 8.360 nan 0.000 0.402 583 N N 1.885 120.564 118.700 -0.035 0.000 2.771 583 N HA -0.177 4.438 4.740 -0.208 0.000 0.249 583 N C -0.073 175.258 175.510 -0.298 0.000 1.069 583 N CA 0.564 53.528 53.050 -0.143 0.000 0.688 583 N CB -0.762 37.681 38.487 -0.074 0.000 0.928 583 N HN 0.544 nan 8.380 nan 0.000 0.551 584 K N -0.070 120.058 120.400 -0.455 0.000 2.209 584 K HA -0.027 4.168 4.320 -0.208 0.000 0.204 584 K C 0.766 176.797 176.600 -0.948 0.000 1.048 584 K CA 1.140 56.965 56.287 -0.769 0.000 0.940 584 K CB 0.055 32.265 32.500 -0.483 0.000 0.729 584 K HN 0.399 nan 8.250 nan 0.000 0.451 585 R N -0.172 119.695 120.500 -1.056 0.000 2.748 585 R HA 0.138 4.353 4.340 -0.208 0.000 0.395 585 R C 0.762 176.184 176.300 -1.464 0.000 1.128 585 R CA -0.113 54.859 56.100 -1.879 0.000 1.042 585 R CB 1.105 30.526 30.300 -1.465 0.000 1.392 585 R HN 0.077 nan 8.270 nan 0.000 0.582 586 G N 0.084 108.198 108.800 -1.143 0.000 3.181 586 G HA2 -0.068 3.767 3.960 -0.208 0.000 0.219 586 G HA3 -0.068 3.767 3.960 -0.208 0.000 0.219 586 G C 0.772 174.980 174.900 -1.154 0.000 1.182 586 G CA -0.408 44.213 45.100 -0.797 0.000 0.791 586 G HN 0.333 nan 8.290 nan 0.000 0.537 587 W N 0.623 121.036 121.300 -1.479 0.000 2.257 587 W HA -0.214 4.321 4.660 -0.208 0.000 0.325 587 W C 0.979 176.948 176.519 -0.916 0.000 1.296 587 W CA 0.938 57.317 57.345 -1.609 0.000 1.297 587 W CB -0.932 27.584 29.460 -1.574 0.000 1.131 587 W HN 0.386 nan 8.180 nan 0.000 0.492 588 Y N 0.254 120.512 120.300 -0.069 0.000 2.607 588 Y HA 0.108 4.534 4.550 -0.208 0.000 0.266 588 Y C 2.132 178.074 175.900 0.070 0.000 1.178 588 Y CA 0.367 58.508 58.100 0.067 0.000 1.226 588 Y CB -1.258 37.282 38.460 0.132 0.000 1.144 588 Y HN -0.110 nan 8.280 nan 0.000 0.528 589 T N -4.564 110.055 114.554 0.107 0.000 3.155 589 T HA -0.018 4.207 4.350 -0.208 0.000 0.264 589 T C 1.242 176.056 174.700 0.190 0.000 1.160 589 T CA 1.111 63.308 62.100 0.161 0.000 1.075 589 T CB -0.139 68.802 68.868 0.121 0.000 0.921 589 T HN 0.132 nan 8.240 nan 0.000 0.533 590 S N 0.438 116.257 115.700 0.198 0.000 2.847 590 S HA 0.191 4.536 4.470 -0.208 0.000 0.254 590 S C -0.193 174.678 174.600 0.452 0.000 1.039 590 S CA -0.468 57.885 58.200 0.255 0.000 1.113 590 S CB 0.382 63.668 63.200 0.144 0.000 1.092 590 S HN 0.341 nan 8.310 nan 0.000 0.620 591 D N 2.292 122.949 120.400 0.428 0.000 3.008 591 D HA 0.380 4.895 4.640 -0.208 0.000 0.242 591 D C 1.124 177.554 176.300 0.217 0.000 1.222 591 D CA 0.358 54.622 54.000 0.439 0.000 0.883 591 D CB -0.365 40.672 40.800 0.395 0.000 1.110 591 D HN 0.449 nan 8.370 nan 0.000 0.455 592 G N 1.234 110.229 108.800 0.325 0.000 2.182 592 G HA2 -0.316 3.519 3.960 -0.208 0.000 0.248 592 G HA3 -0.316 3.519 3.960 -0.208 0.000 0.248 592 G C 0.305 175.437 174.900 0.387 0.000 1.042 592 G CA 0.023 45.364 45.100 0.402 0.000 0.775 592 G HN 0.424 nan 8.290 nan 0.000 0.501 593 M N 0.332 120.088 119.600 0.260 0.000 2.233 593 M HA 0.675 5.030 4.480 -0.208 0.000 0.350 593 M C 0.374 176.793 176.300 0.198 0.000 1.176 593 M CA -0.698 54.732 55.300 0.217 0.000 1.150 593 M CB 0.314 32.986 32.600 0.120 0.000 1.530 593 M HN 0.563 nan 8.290 nan 0.000 0.459 594 F N 3.259 123.249 119.950 0.067 0.000 2.561 594 F HA 0.709 5.111 4.527 -0.208 0.000 0.321 594 F C -2.350 173.380 175.800 -0.117 0.000 1.065 594 F CA -1.030 56.972 58.000 0.004 0.000 0.934 594 F CB 0.932 40.129 39.000 0.327 0.000 1.215 594 F HN 0.467 nan 8.300 nan 0.000 0.471 595 Y N 2.696 122.845 120.300 -0.252 0.000 2.409 595 Y HA 0.651 5.076 4.550 -0.208 0.000 0.343 595 Y C -1.095 174.769 175.900 -0.059 0.000 0.973 595 Y CA -1.070 56.810 58.100 -0.366 0.000 1.064 595 Y CB 2.147 40.297 38.460 -0.517 0.000 1.207 595 Y HN 0.798 nan 8.280 nan 0.000 0.452 596 L N 4.008 125.274 121.223 0.072 0.000 2.349 596 L HA 0.552 4.767 4.340 -0.208 0.000 0.278 596 L C -2.042 174.820 176.870 -0.014 0.000 0.996 596 L CA -0.800 54.188 54.840 0.247 0.000 0.825 596 L CB 0.541 42.787 42.059 0.312 0.000 1.243 596 L HN 0.481 nan 8.230 nan 0.000 0.412 597 Y N 5.457 125.985 120.300 0.380 0.000 2.417 597 Y HA 0.449 4.875 4.550 -0.208 0.000 0.336 597 Y C 0.351 176.430 175.900 0.298 0.000 0.961 597 Y CA -0.558 57.733 58.100 0.319 0.000 1.215 597 Y CB 0.545 39.177 38.460 0.286 0.000 1.120 597 Y HN 0.792 nan 8.280 nan 0.000 0.499 598 N N 0.007 118.877 118.700 0.283 0.000 3.312 598 N HA 0.353 4.968 4.740 -0.208 0.000 0.361 598 N C 1.475 177.100 175.510 0.191 0.000 1.476 598 N CA -0.262 52.928 53.050 0.234 0.000 0.669 598 N CB -0.332 38.230 38.487 0.125 0.000 1.629 598 N HN 0.451 nan 8.380 nan 0.000 0.612 599 G N -1.339 107.541 108.800 0.133 0.000 2.462 599 G HA2 -0.208 3.627 3.960 -0.208 0.000 0.220 599 G HA3 -0.208 3.627 3.960 -0.208 0.000 0.220 599 G C 0.047 174.991 174.900 0.074 0.000 1.121 599 G CA 1.111 46.273 45.100 0.103 0.000 0.758 599 G HN 0.725 nan 8.290 nan 0.000 0.559 600 D N 0.327 120.755 120.400 0.046 0.000 2.483 600 D HA 0.225 4.740 4.640 -0.208 0.000 0.220 600 D C 1.479 177.787 176.300 0.013 0.000 1.173 600 D CA -0.503 53.495 54.000 -0.004 0.000 0.964 600 D CB 0.349 41.131 40.800 -0.030 0.000 1.046 600 D HN -0.089 nan 8.370 nan 0.000 0.517 601 L N 2.418 123.650 121.223 0.015 0.000 2.353 601 L HA -0.112 4.103 4.340 -0.208 0.000 0.220 601 L C 2.304 179.065 176.870 -0.182 0.000 1.133 601 L CA 1.294 56.188 54.840 0.090 0.000 0.798 601 L CB -0.609 41.550 42.059 0.168 0.000 0.922 601 L HN 0.455 nan 8.230 nan 0.000 0.445 602 S N -2.775 112.569 115.700 -0.593 0.000 2.575 602 S HA -0.094 4.251 4.470 -0.208 0.000 0.215 602 S C 1.977 176.386 174.600 -0.318 0.000 0.966 602 S CA -0.132 57.552 58.200 -0.861 0.000 0.911 602 S CB -0.662 61.963 63.200 -0.959 0.000 0.780 602 S HN 0.513 nan 8.310 nan 0.000 0.514 603 H N 1.406 120.292 119.070 -0.306 0.000 2.267 603 H HA -0.212 4.219 4.556 -0.208 0.000 0.291 603 H C 0.503 175.466 175.328 -0.609 0.000 1.094 603 H CA 2.374 58.139 56.048 -0.470 0.000 1.227 603 H CB -0.395 28.972 29.762 -0.657 0.000 1.351 603 H HN 0.632 nan 8.280 nan 0.000 0.483 604 Y N 0.622 120.792 120.300 -0.216 0.000 2.462 604 Y HA 0.174 4.599 4.550 -0.208 0.000 0.293 604 Y C 1.053 176.939 175.900 -0.023 0.000 1.195 604 Y CA -0.205 57.642 58.100 -0.422 0.000 1.276 604 Y CB 0.408 38.729 38.460 -0.231 0.000 1.082 604 Y HN -0.007 nan 8.280 nan 0.000 0.514 605 S N -1.340 114.432 115.700 0.119 0.000 2.795 605 S HA 0.265 4.610 4.470 -0.208 0.000 0.308 605 S C -0.352 174.374 174.600 0.211 0.000 1.098 605 S CA -0.775 57.587 58.200 0.269 0.000 0.934 605 S CB 0.851 64.249 63.200 0.331 0.000 1.300 605 S HN 0.222 nan 8.310 nan 0.000 0.566 606 D N 0.479 121.053 120.400 0.291 0.000 2.772 606 D HA -0.119 4.396 4.640 -0.208 0.000 0.233 606 D C 0.682 177.115 176.300 0.222 0.000 1.143 606 D CA 1.581 55.722 54.000 0.234 0.000 0.700 606 D CB -1.582 39.294 40.800 0.126 0.000 1.076 606 D HN 1.165 nan 8.370 nan 0.000 0.430 607 G N -0.956 108.065 108.800 0.368 0.000 2.149 607 G HA2 -0.445 3.390 3.960 -0.208 0.000 0.235 607 G HA3 -0.445 3.390 3.960 -0.208 0.000 0.235 607 G C 0.590 175.490 174.900 -0.000 0.000 1.018 607 G CA 0.764 45.990 45.100 0.209 0.000 0.728 607 G HN 0.534 nan 8.290 nan 0.000 0.508 608 Y N -0.558 119.697 120.300 -0.075 0.000 2.128 608 Y HA -0.054 4.370 4.550 -0.208 0.000 0.284 608 Y C 2.562 178.275 175.900 -0.311 0.000 1.154 608 Y CA 2.562 60.540 58.100 -0.203 0.000 1.149 608 Y CB -0.299 37.926 38.460 -0.392 0.000 0.976 608 Y HN 0.373 nan 8.280 nan 0.000 0.505 609 W N 1.280 122.560 121.300 -0.032 0.000 2.335 609 W HA -0.159 4.376 4.660 -0.208 0.000 0.311 609 W C -0.310 175.880 176.519 -0.549 0.000 1.213 609 W CA 1.362 58.555 57.345 -0.253 0.000 1.274 609 W CB -1.576 27.859 29.460 -0.043 0.000 1.148 609 W HN 0.189 nan 8.180 nan 0.000 0.498 610 P HA -0.019 nan 4.420 nan 0.000 0.241 610 P C 0.961 178.005 177.300 -0.426 0.000 1.191 610 P CA 1.846 64.573 63.100 -0.622 0.000 0.771 610 P CB -0.038 31.024 31.700 -1.063 0.000 0.929 611 T N -4.665 109.646 114.554 -0.405 0.000 2.971 611 T HA 0.136 4.361 4.350 -0.208 0.000 0.252 611 T C 0.722 175.046 174.700 -0.627 0.000 1.022 611 T CA -0.156 61.742 62.100 -0.336 0.000 0.980 611 T CB -0.684 68.130 68.868 -0.090 0.000 1.044 611 T HN -0.104 nan 8.240 nan 0.000 0.501 612 V N 3.633 123.041 119.914 -0.843 0.000 2.740 612 V HA 0.280 4.275 4.120 -0.208 0.000 0.303 612 V C 0.128 175.806 176.094 -0.693 0.000 1.054 612 V CA -0.597 60.990 62.300 -1.188 0.000 1.106 612 V CB 0.440 31.483 31.823 -1.301 0.000 0.957 612 V HN 0.550 nan 8.190 nan 0.000 0.486 613 N N 8.694 127.032 118.700 -0.604 0.000 2.406 613 N HA 0.227 4.842 4.740 -0.208 0.000 0.265 613 N C -1.344 174.078 175.510 -0.145 0.000 1.203 613 N CA -1.896 50.995 53.050 -0.265 0.000 0.945 613 N CB 1.268 39.648 38.487 -0.179 0.000 1.165 613 N HN 0.489 nan 8.380 nan 0.000 0.485 614 P HA -0.136 nan 4.420 nan 0.000 0.226 614 P C 0.342 177.670 177.300 0.047 0.000 1.146 614 P CA 1.192 64.209 63.100 -0.139 0.000 0.773 614 P CB -0.004 31.464 31.700 -0.387 0.000 0.772 615 Y N 0.307 120.743 120.300 0.226 0.000 2.523 615 Y HA 0.131 4.556 4.550 -0.208 0.000 0.279 615 Y C 1.477 177.478 175.900 0.169 0.000 1.139 615 Y CA 0.597 58.877 58.100 0.300 0.000 1.296 615 Y CB 0.095 38.658 38.460 0.173 0.000 1.045 615 Y HN -0.104 nan 8.280 nan 0.000 0.538 616 K N 0.249 120.769 120.400 0.200 0.000 3.237 616 K HA 0.231 4.426 4.320 -0.208 0.000 0.197 616 K C -0.647 175.983 176.600 0.049 0.000 1.133 616 K CA -0.330 56.012 56.287 0.092 0.000 0.944 616 K CB 0.390 32.909 32.500 0.032 0.000 0.952 616 K HN -0.017 nan 8.250 nan 0.000 0.515 617 M N 2.839 122.499 119.600 0.099 0.000 2.238 617 M HA 0.109 4.464 4.480 -0.208 0.000 0.350 617 M C -2.233 174.101 176.300 0.057 0.000 1.321 617 M CA -2.885 52.456 55.300 0.069 0.000 1.097 617 M CB -0.668 32.019 32.600 0.146 0.000 1.713 617 M HN 0.023 nan 8.290 nan 0.000 0.455 618 P HA 0.059 nan 4.420 nan 0.000 0.260 618 P C 0.947 178.404 177.300 0.262 0.000 1.172 618 P CA 1.034 64.141 63.100 0.013 0.000 0.760 618 P CB 0.324 31.815 31.700 -0.348 0.000 0.773 619 G N 2.268 111.347 108.800 0.465 0.000 2.268 619 G HA2 -0.241 3.594 3.960 -0.208 0.000 0.240 619 G HA3 -0.241 3.594 3.960 -0.208 0.000 0.240 619 G C 0.342 175.476 174.900 0.390 0.000 1.010 619 G CA 0.370 45.845 45.100 0.625 0.000 0.618 619 G HN 0.867 nan 8.290 nan 0.000 0.516 620 T N -0.245 114.453 114.554 0.241 0.000 2.913 620 T HA 0.541 4.766 4.350 -0.208 0.000 0.297 620 T C 0.053 174.788 174.700 0.059 0.000 1.029 620 T CA 0.755 62.926 62.100 0.118 0.000 1.104 620 T CB 1.775 70.692 68.868 0.081 0.000 0.964 620 T HN 0.395 nan 8.240 nan 0.000 0.532 621 T N 4.272 118.823 114.554 -0.004 0.000 2.788 621 T HA 0.506 4.731 4.350 -0.208 0.000 0.296 621 T C -0.543 174.240 174.700 0.140 0.000 1.009 621 T CA -0.731 61.440 62.100 0.118 0.000 0.949 621 T CB 0.663 69.656 68.868 0.209 0.000 0.946 621 T HN 0.705 nan 8.240 nan 0.000 0.453 622 E N 1.501 121.771 120.200 0.117 0.000 2.449 622 E HA 0.449 4.674 4.350 -0.208 0.000 0.278 622 E C -0.324 176.348 176.600 0.120 0.000 0.992 622 E CA -0.850 55.598 56.400 0.080 0.000 0.807 622 E CB 1.561 31.096 29.700 -0.276 0.000 1.350 622 E HN 0.624 nan 8.360 nan 0.000 0.462 623 T N -2.262 112.384 114.554 0.153 0.000 2.881 623 T HA 0.264 4.489 4.350 -0.208 0.000 0.278 623 T C 0.511 175.295 174.700 0.140 0.000 0.982 623 T CA -0.617 61.571 62.100 0.145 0.000 0.989 623 T CB 0.626 69.588 68.868 0.156 0.000 1.058 623 T HN 0.431 nan 8.240 nan 0.000 0.529 624 D N -0.312 120.143 120.400 0.092 0.000 2.325 624 D HA 0.246 4.761 4.640 -0.208 0.000 0.234 624 D C 0.810 177.126 176.300 0.026 0.000 1.122 624 D CA -0.484 53.540 54.000 0.039 0.000 0.850 624 D CB -0.914 39.870 40.800 -0.027 0.000 0.921 624 D HN 0.799 nan 8.370 nan 0.000 0.513 625 A N 1.601 124.505 122.820 0.139 0.000 2.531 625 A HA 0.225 4.420 4.320 -0.208 0.000 0.236 625 A C 1.035 178.684 177.584 0.108 0.000 1.062 625 A CA -0.492 51.640 52.037 0.158 0.000 0.760 625 A CB 0.311 19.504 19.000 0.322 0.000 0.995 625 A HN 0.289 nan 8.150 nan 0.000 0.501 626 K N 2.310 122.725 120.400 0.025 0.000 2.355 626 K HA 0.290 4.485 4.320 -0.208 0.000 0.270 626 K C -0.568 175.983 176.600 -0.081 0.000 1.003 626 K CA -0.050 56.224 56.287 -0.022 0.000 0.957 626 K CB 0.561 33.042 32.500 -0.031 0.000 0.939 626 K HN 0.602 nan 8.250 nan 0.000 0.482 627 R N 0.285 120.641 120.500 -0.240 0.000 2.740 627 R HA 0.480 4.695 4.340 -0.208 0.000 0.282 627 R C -0.734 175.236 176.300 -0.550 0.000 0.969 627 R CA -0.926 54.649 56.100 -0.875 0.000 0.918 627 R CB 2.060 31.042 30.300 -2.197 0.000 1.175 627 R HN 0.858 nan 8.270 nan 0.000 0.464 628 A N 1.141 123.728 122.820 -0.389 0.000 2.310 628 A HA 0.298 4.493 4.320 -0.208 0.000 0.299 628 A C 0.218 177.945 177.584 0.238 0.000 1.147 628 A CA -0.461 51.563 52.037 -0.022 0.000 0.818 628 A CB 0.439 19.438 19.000 -0.001 0.000 1.096 628 A HN 0.617 nan 8.150 nan 0.000 0.495 629 D N 1.115 121.667 120.400 0.253 0.000 2.178 629 D HA -0.124 4.391 4.640 -0.208 0.000 0.202 629 D C 2.176 178.561 176.300 0.142 0.000 0.974 629 D CA 2.014 56.111 54.000 0.162 0.000 0.841 629 D CB -0.083 40.744 40.800 0.045 0.000 0.953 629 D HN 0.630 nan 8.370 nan 0.000 0.478 630 S N -0.107 115.718 115.700 0.208 0.000 2.555 630 S HA -0.070 4.275 4.470 -0.208 0.000 0.230 630 S C 0.617 175.399 174.600 0.303 0.000 0.978 630 S CA -0.091 58.275 58.200 0.276 0.000 0.934 630 S CB -0.056 63.243 63.200 0.165 0.000 0.766 630 S HN -0.047 nan 8.310 nan 0.000 0.533 631 D N 2.547 123.125 120.400 0.297 0.000 2.362 631 D HA 0.404 4.919 4.640 -0.208 0.000 0.238 631 D C 0.640 177.175 176.300 0.392 0.000 1.212 631 D CA 0.792 54.964 54.000 0.285 0.000 0.902 631 D CB 1.022 41.953 40.800 0.219 0.000 1.180 631 D HN 0.533 nan 8.370 nan 0.000 0.445 632 T N -2.649 112.034 114.554 0.215 0.000 2.887 632 T HA 0.697 4.922 4.350 -0.208 0.000 0.292 632 T C 0.531 175.136 174.700 -0.158 0.000 1.087 632 T CA -1.030 61.070 62.100 -0.000 0.000 1.009 632 T CB 1.265 70.093 68.868 -0.068 0.000 1.203 632 T HN 0.266 nan 8.240 nan 0.000 0.518 633 G N 0.581 109.061 108.800 -0.534 0.000 2.664 633 G HA2 0.514 4.349 3.960 -0.208 0.000 0.242 633 G HA3 0.514 4.349 3.960 -0.208 0.000 0.242 633 G C -0.635 174.223 174.900 -0.070 0.000 1.225 633 G CA -0.495 44.350 45.100 -0.425 0.000 0.849 633 G HN 0.775 nan 8.290 nan 0.000 0.581 634 K N -1.056 119.367 120.400 0.037 0.000 2.509 634 K HA 0.496 4.691 4.320 -0.208 0.000 0.266 634 K C -0.338 176.423 176.600 0.269 0.000 0.987 634 K CA -0.760 55.621 56.287 0.157 0.000 0.868 634 K CB 1.948 34.596 32.500 0.246 0.000 1.421 634 K HN 0.502 nan 8.250 nan 0.000 0.444 635 V N -1.369 118.728 119.914 0.305 0.000 3.109 635 V HA 0.530 4.525 4.120 -0.208 0.000 0.317 635 V C -0.055 176.305 176.094 0.443 0.000 1.074 635 V CA -1.096 61.446 62.300 0.403 0.000 1.033 635 V CB 1.047 32.999 31.823 0.215 0.000 1.111 635 V HN 0.635 nan 8.190 nan 0.000 0.458 636 L N 2.908 124.261 121.223 0.216 0.000 2.334 636 L HA 0.552 4.767 4.340 -0.208 0.000 0.277 636 L C -1.699 175.176 176.870 0.009 0.000 1.075 636 L CA -1.418 53.388 54.840 -0.056 0.000 0.804 636 L CB 1.312 43.026 42.059 -0.574 0.000 1.174 636 L HN 0.480 nan 8.230 nan 0.000 0.438 637 P HA -0.094 nan 4.420 nan 0.000 0.216 637 P C -0.076 177.239 177.300 0.026 0.000 1.150 637 P CA 0.863 63.981 63.100 0.029 0.000 0.837 637 P CB 0.174 31.886 31.700 0.020 0.000 0.786 638 S N -1.490 114.223 115.700 0.021 0.000 2.585 638 S HA 0.538 4.884 4.470 -0.208 0.000 0.277 638 S C 0.959 175.591 174.600 0.052 0.000 1.241 638 S CA -0.229 58.005 58.200 0.056 0.000 1.041 638 S CB 0.768 64.032 63.200 0.107 0.000 0.987 638 S HN 0.042 nan 8.310 nan 0.000 0.512 639 A N 3.719 126.587 122.820 0.079 0.000 2.308 639 A HA 0.324 4.519 4.320 -0.208 0.000 0.217 639 A C 0.389 178.031 177.584 0.097 0.000 1.216 639 A CA -0.251 51.825 52.037 0.065 0.000 0.864 639 A CB -0.300 18.730 19.000 0.051 0.000 0.902 639 A HN 0.748 nan 8.150 nan 0.000 0.499 640 F N 1.689 121.612 119.950 -0.045 0.000 2.661 640 F HA 0.430 4.832 4.527 -0.208 0.000 0.356 640 F C -0.484 175.299 175.800 -0.029 0.000 1.244 640 F CA -0.356 57.594 58.000 -0.084 0.000 1.290 640 F CB 0.072 38.990 39.000 -0.136 0.000 1.677 640 F HN -0.093 nan 8.300 nan 0.000 0.649 641 V N 2.735 122.562 119.914 -0.145 0.000 2.612 641 V HA 0.866 4.861 4.120 -0.208 0.000 0.301 641 V C -0.052 175.994 176.094 -0.080 0.000 1.059 641 V CA -0.451 61.801 62.300 -0.079 0.000 0.886 641 V CB 1.303 33.134 31.823 0.014 0.000 1.007 641 V HN 0.677 nan 8.190 nan 0.000 0.426 642 G N 2.441 111.197 108.800 -0.074 0.000 2.368 642 G HA2 0.570 4.405 3.960 -0.208 0.000 0.293 642 G HA3 0.570 4.405 3.960 -0.208 0.000 0.293 642 G C -1.245 173.643 174.900 -0.021 0.000 1.467 642 G CA -0.426 44.692 45.100 0.031 0.000 0.804 642 G HN 0.493 nan 8.290 nan 0.000 0.535 643 T N 0.351 114.840 114.554 -0.109 0.000 2.824 643 T HA 0.625 4.850 4.350 -0.208 0.000 0.282 643 T C -0.287 174.230 174.700 -0.304 0.000 0.993 643 T CA -0.365 61.637 62.100 -0.163 0.000 0.967 643 T CB 1.581 70.357 68.868 -0.154 0.000 0.960 643 T HN 0.758 nan 8.240 nan 0.000 0.441 644 S N 2.884 118.485 115.700 -0.165 0.000 2.448 644 S HA 0.408 4.753 4.470 -0.208 0.000 0.320 644 S C -0.298 174.246 174.600 -0.093 0.000 1.071 644 S CA -0.832 57.278 58.200 -0.151 0.000 1.113 644 S CB 0.085 63.254 63.200 -0.052 0.000 0.972 644 S HN 0.643 nan 8.310 nan 0.000 0.465 645 K N 4.717 125.045 120.400 -0.120 0.000 2.183 645 K HA 0.338 4.533 4.320 -0.208 0.000 0.274 645 K C 0.530 177.117 176.600 -0.020 0.000 1.009 645 K CA -0.713 55.536 56.287 -0.064 0.000 0.888 645 K CB 1.091 33.536 32.500 -0.093 0.000 1.078 645 K HN 0.599 nan 8.250 nan 0.000 0.459 646 L N 3.493 124.726 121.223 0.016 0.000 2.200 646 L HA 0.167 4.382 4.340 -0.208 0.000 0.200 646 L C -0.251 176.633 176.870 0.023 0.000 1.072 646 L CA 1.642 56.503 54.840 0.035 0.000 0.787 646 L CB 0.012 42.113 42.059 0.070 0.000 0.957 646 L HN 0.985 nan 8.230 nan 0.000 0.459 647 D N -3.939 116.473 120.400 0.020 0.000 3.057 647 D HA 0.148 4.663 4.640 -0.208 0.000 0.328 647 D C 0.123 176.430 176.300 0.012 0.000 1.317 647 D CA -0.301 53.709 54.000 0.016 0.000 0.973 647 D CB -0.342 40.470 40.800 0.020 0.000 1.424 647 D HN -0.208 nan 8.370 nan 0.000 0.569 648 D N -0.942 119.468 120.400 0.016 0.000 2.350 648 D HA 0.109 4.624 4.640 -0.208 0.000 0.216 648 D C 1.091 177.387 176.300 -0.006 0.000 0.968 648 D CA 1.361 55.374 54.000 0.022 0.000 0.894 648 D CB 0.148 40.968 40.800 0.034 0.000 0.909 648 D HN 0.465 nan 8.370 nan 0.000 0.520 649 A N -0.471 122.343 122.820 -0.010 0.000 2.427 649 A HA 0.122 4.317 4.320 -0.208 0.000 0.225 649 A C 0.518 178.102 177.584 -0.000 0.000 1.257 649 A CA -0.249 51.771 52.037 -0.028 0.000 0.985 649 A CB 0.657 19.635 19.000 -0.037 0.000 1.136 649 A HN -0.021 nan 8.150 nan 0.000 0.538 650 N N 0.228 118.940 118.700 0.020 0.000 2.296 650 N HA 0.673 5.288 4.740 -0.208 0.000 0.294 650 N C -0.879 174.659 175.510 0.048 0.000 1.033 650 N CA 0.305 53.383 53.050 0.046 0.000 0.839 650 N CB 2.181 40.708 38.487 0.067 0.000 1.395 650 N HN 0.361 nan 8.380 nan 0.000 0.479 651 A N 0.906 123.759 122.820 0.056 0.000 2.608 651 A HA 0.735 4.930 4.320 -0.208 0.000 0.292 651 A C -1.142 176.464 177.584 0.037 0.000 1.066 651 A CA -0.552 51.506 52.037 0.035 0.000 0.676 651 A CB 1.524 20.524 19.000 0.000 0.000 1.277 651 A HN 0.402 nan 8.150 nan 0.000 0.413 652 T N 0.475 115.031 114.554 0.003 0.000 2.893 652 T HA 0.823 5.048 4.350 -0.208 0.000 0.293 652 T C -0.315 174.330 174.700 -0.091 0.000 1.027 652 T CA 0.222 62.272 62.100 -0.082 0.000 0.988 652 T CB 1.738 70.590 68.868 -0.028 0.000 1.043 652 T HN 1.872 nan 8.240 nan 0.000 0.461 653 A N 1.502 124.257 122.820 -0.109 0.000 2.515 653 A HA 0.940 5.135 4.320 -0.208 0.000 0.296 653 A C -0.471 177.191 177.584 0.129 0.000 1.094 653 A CA -0.780 51.277 52.037 0.033 0.000 0.718 653 A CB 2.268 21.333 19.000 0.107 0.000 1.307 653 A HN 0.745 nan 8.150 nan 0.000 0.408 654 T N 0.585 115.221 114.554 0.137 0.000 2.864 654 T HA 0.696 4.921 4.350 -0.208 0.000 0.299 654 T C -1.471 173.387 174.700 0.263 0.000 1.166 654 T CA -0.386 61.823 62.100 0.182 0.000 1.007 654 T CB 1.200 70.076 68.868 0.013 0.000 1.219 654 T HN 0.927 nan 8.240 nan 0.000 0.506 655 M N 3.577 123.405 119.600 0.379 0.000 2.182 655 M HA 0.319 4.674 4.480 -0.208 0.000 0.266 655 M C -1.528 175.041 176.300 0.449 0.000 0.989 655 M CA -0.598 54.937 55.300 0.391 0.000 1.003 655 M CB 1.449 34.370 32.600 0.536 0.000 1.812 655 M HN 0.568 nan 8.290 nan 0.000 0.472 656 D N 4.544 125.208 120.400 0.440 0.000 2.541 656 D HA 0.075 4.590 4.640 -0.208 0.000 0.231 656 D C -0.983 175.543 176.300 0.376 0.000 1.163 656 D CA 0.289 54.575 54.000 0.477 0.000 1.077 656 D CB -0.300 40.775 40.800 0.458 0.000 1.110 656 D HN 0.398 nan 8.370 nan 0.000 0.499 657 F N 2.078 122.185 119.950 0.262 0.000 2.484 657 F HA 0.318 4.719 4.527 -0.208 0.000 0.360 657 F C 0.092 176.004 175.800 0.187 0.000 1.101 657 F CA 0.087 58.218 58.000 0.218 0.000 1.251 657 F CB 0.903 40.064 39.000 0.268 0.000 1.132 657 F HN -0.032 nan 8.300 nan 0.000 0.570 658 T N 6.472 120.583 114.554 -0.738 0.000 2.971 658 T HA 0.232 4.457 4.350 -0.208 0.000 0.304 658 T C -0.603 173.524 174.700 -0.956 0.000 1.038 658 T CA -0.988 60.741 62.100 -0.618 0.000 1.007 658 T CB 0.991 69.726 68.868 -0.222 0.000 1.055 658 T HN 0.705 nan 8.240 nan 0.000 0.451 659 N N 2.281 120.567 118.700 -0.690 0.000 2.327 659 N HA 0.080 4.695 4.740 -0.208 0.000 0.257 659 N C 1.811 177.356 175.510 0.058 0.000 1.281 659 N CA -0.878 52.044 53.050 -0.213 0.000 0.942 659 N CB 0.332 38.908 38.487 0.148 0.000 1.199 659 N HN 0.856 nan 8.380 nan 0.000 0.532 660 W N 0.976 122.389 121.300 0.188 0.000 2.308 660 W HA -0.207 4.328 4.660 -0.208 0.000 0.301 660 W C 0.242 176.830 176.519 0.116 0.000 1.220 660 W CA 1.631 59.092 57.345 0.194 0.000 1.240 660 W CB -1.219 28.383 29.460 0.236 0.000 1.142 660 W HN 0.793 nan 8.180 nan 0.000 0.521 661 N N 0.540 118.669 118.700 -0.952 0.000 2.328 661 N HA 0.121 4.736 4.740 -0.208 0.000 0.247 661 N C -0.153 175.088 175.510 -0.448 0.000 1.165 661 N CA -0.196 52.324 53.050 -0.883 0.000 0.873 661 N CB -0.195 37.376 38.487 -1.527 0.000 1.125 661 N HN -0.122 nan 8.380 nan 0.000 0.513 662 Q N 0.485 120.116 119.800 -0.283 0.000 2.423 662 Q HA -0.176 4.039 4.340 -0.208 0.000 0.332 662 Q C 0.244 176.145 176.000 -0.166 0.000 1.355 662 Q CA 1.466 57.161 55.803 -0.179 0.000 0.947 662 Q CB -2.099 26.567 28.738 -0.120 0.000 1.189 662 Q HN 0.754 nan 8.270 nan 0.000 0.418 663 T N -3.718 110.732 114.554 -0.173 0.000 3.043 663 T HA 0.494 4.719 4.350 -0.208 0.000 0.272 663 T C 0.262 174.931 174.700 -0.053 0.000 0.990 663 T CA 0.001 62.034 62.100 -0.112 0.000 0.897 663 T CB 0.552 69.347 68.868 -0.122 0.000 1.111 663 T HN 0.319 nan 8.240 nan 0.000 0.529 664 L N 1.855 123.047 121.223 -0.050 0.000 2.472 664 L HA 0.735 4.950 4.340 -0.208 0.000 0.260 664 L C -1.266 175.595 176.870 -0.015 0.000 0.963 664 L CA -0.356 54.491 54.840 0.013 0.000 0.829 664 L CB 2.341 44.464 42.059 0.107 0.000 1.348 664 L HN 0.340 nan 8.230 nan 0.000 0.408 665 T N 1.144 115.719 114.554 0.035 0.000 2.901 665 T HA 0.984 5.209 4.350 -0.208 0.000 0.293 665 T C -0.793 173.998 174.700 0.152 0.000 1.084 665 T CA -0.322 61.813 62.100 0.058 0.000 1.008 665 T CB 2.081 70.953 68.868 0.007 0.000 1.170 665 T HN 1.222 nan 8.240 nan 0.000 0.509 666 A N 1.115 124.082 122.820 0.244 0.000 2.560 666 A HA 0.535 4.730 4.320 -0.208 0.000 0.300 666 A C -1.551 176.209 177.584 0.294 0.000 1.062 666 A CA -0.865 51.284 52.037 0.187 0.000 0.767 666 A CB 0.576 19.736 19.000 0.267 0.000 1.288 666 A HN 0.918 nan 8.150 nan 0.000 0.396 667 H N 2.163 121.205 119.070 -0.046 0.000 3.008 667 H HA 0.306 4.737 4.556 -0.208 0.000 0.268 667 H C -0.123 175.173 175.328 -0.053 0.000 1.323 667 H CA 0.320 56.319 56.048 -0.081 0.000 1.401 667 H CB 0.268 29.777 29.762 -0.421 0.000 1.556 667 H HN 0.475 nan 8.280 nan 0.000 0.502 668 K N 1.953 122.431 120.400 0.131 0.000 2.201 668 K HA 0.501 4.696 4.320 -0.208 0.000 0.278 668 K C -0.157 176.180 176.600 -0.438 0.000 1.027 668 K CA -0.394 55.782 56.287 -0.186 0.000 0.909 668 K CB 1.335 33.772 32.500 -0.106 0.000 1.062 668 K HN 0.347 nan 8.250 nan 0.000 0.465 669 S N 1.569 116.861 115.700 -0.681 0.000 2.595 669 S HA 0.541 4.886 4.470 -0.208 0.000 0.281 669 S C -1.430 172.689 174.600 -0.803 0.000 1.117 669 S CA -0.931 56.946 58.200 -0.538 0.000 0.873 669 S CB 1.235 64.382 63.200 -0.088 0.000 1.108 669 S HN 0.455 nan 8.310 nan 0.000 0.477 670 W N 1.478 122.547 121.300 -0.385 0.000 2.998 670 W HA 0.496 5.032 4.660 -0.208 0.000 0.335 670 W C -1.984 174.125 176.519 -0.683 0.000 1.110 670 W CA -0.723 56.391 57.345 -0.385 0.000 1.230 670 W CB 1.376 30.663 29.460 -0.289 0.000 1.405 670 W HN 0.521 nan 8.180 nan 0.000 0.493 671 F N 2.376 122.374 119.950 0.080 0.000 2.434 671 F HA 0.381 4.783 4.527 -0.208 0.000 0.367 671 F C 0.266 176.076 175.800 0.017 0.000 1.093 671 F CA -0.809 57.236 58.000 0.074 0.000 1.085 671 F CB 0.851 39.896 39.000 0.075 0.000 1.322 671 F HN -0.060 nan 8.300 nan 0.000 0.452 672 M N 4.885 124.535 119.600 0.083 0.000 2.193 672 M HA 0.277 4.632 4.480 -0.208 0.000 0.342 672 M C -0.490 175.849 176.300 0.066 0.000 1.413 672 M CA 0.290 55.599 55.300 0.014 0.000 1.191 672 M CB 0.324 32.929 32.600 0.008 0.000 1.633 672 M HN 0.463 nan 8.290 nan 0.000 0.458 673 L N 4.456 125.717 121.223 0.064 0.000 2.709 673 L HA 0.304 4.519 4.340 -0.208 0.000 0.236 673 L C 0.886 177.781 176.870 0.042 0.000 1.266 673 L CA -0.213 54.663 54.840 0.061 0.000 0.987 673 L CB -0.051 42.047 42.059 0.066 0.000 1.306 673 L HN 0.837 nan 8.230 nan 0.000 0.467 674 K N 1.243 121.661 120.400 0.032 0.000 10.660 674 K HA -0.314 3.881 4.320 -0.208 0.000 0.523 674 K C 0.677 177.322 176.600 0.076 0.000 0.379 674 K CA 2.548 58.843 56.287 0.014 0.000 1.947 674 K CB -0.711 31.788 32.500 -0.002 0.000 0.758 674 K HN 0.748 nan 8.250 nan 0.000 1.189 675 D N 0.902 121.379 120.400 0.129 0.000 2.462 675 D HA 0.182 4.697 4.640 -0.208 0.000 0.221 675 D C -0.148 176.269 176.300 0.194 0.000 1.173 675 D CA 0.037 54.196 54.000 0.264 0.000 0.831 675 D CB 0.269 41.160 40.800 0.151 0.000 1.001 675 D HN 0.554 nan 8.370 nan 0.000 0.499 676 K N -0.800 119.679 120.400 0.131 0.000 2.615 676 K HA 0.585 4.780 4.320 -0.208 0.000 0.291 676 K C -1.798 174.794 176.600 -0.014 0.000 1.017 676 K CA -0.974 55.320 56.287 0.012 0.000 0.882 676 K CB 0.928 33.449 32.500 0.034 0.000 1.522 676 K HN -0.108 nan 8.250 nan 0.000 0.412 677 I N 0.953 121.490 120.570 -0.054 0.000 2.534 677 I HA 0.422 4.467 4.170 -0.208 0.000 0.288 677 I C -0.825 175.350 176.117 0.097 0.000 1.077 677 I CA -0.463 60.766 61.300 -0.119 0.000 1.051 677 I CB 2.073 39.727 38.000 -0.577 0.000 1.234 677 I HN 0.847 nan 8.210 nan 0.000 0.425 678 A N 5.768 128.696 122.820 0.179 0.000 2.309 678 A HA 0.822 5.017 4.320 -0.208 0.000 0.298 678 A C -1.150 176.569 177.584 0.226 0.000 1.165 678 A CA -0.169 52.067 52.037 0.331 0.000 0.821 678 A CB 0.208 19.439 19.000 0.385 0.000 1.102 678 A HN 0.457 nan 8.150 nan 0.000 0.500 679 F N 2.013 121.928 119.950 -0.058 0.000 2.402 679 F HA 0.531 4.933 4.527 -0.208 0.000 0.355 679 F C -0.058 175.687 175.800 -0.092 0.000 1.123 679 F CA -0.398 57.480 58.000 -0.203 0.000 1.021 679 F CB 1.504 40.160 39.000 -0.573 0.000 1.160 679 F HN 0.319 nan 8.300 nan 0.000 0.451 680 L N 2.841 124.103 121.223 0.065 0.000 2.365 680 L HA 0.876 5.091 4.340 -0.208 0.000 0.273 680 L C 0.002 176.585 176.870 -0.479 0.000 1.000 680 L CA -0.846 53.942 54.840 -0.086 0.000 0.819 680 L CB 2.283 44.384 42.059 0.070 0.000 1.284 680 L HN 0.733 nan 8.230 nan 0.000 0.418 681 G N 0.815 108.999 108.800 -1.027 0.000 2.719 681 G HA2 0.623 4.458 3.960 -0.208 0.000 0.298 681 G HA3 0.623 4.458 3.960 -0.208 0.000 0.298 681 G C -0.987 173.546 174.900 -0.612 0.000 1.433 681 G CA -0.228 44.224 45.100 -1.080 0.000 1.034 681 G HN 0.613 nan 8.290 nan 0.000 0.517 682 S N 0.853 116.354 115.700 -0.331 0.000 2.732 682 S HA 0.600 4.945 4.470 -0.208 0.000 0.293 682 S C 0.374 174.794 174.600 -0.301 0.000 1.159 682 S CA -0.406 57.639 58.200 -0.258 0.000 0.847 682 S CB 1.556 64.647 63.200 -0.181 0.000 1.169 682 S HN 1.140 nan 8.310 nan 0.000 0.501 683 N N -0.136 118.386 118.700 -0.297 0.000 2.727 683 N HA -0.142 4.473 4.740 -0.208 0.000 0.249 683 N C -1.010 174.347 175.510 -0.254 0.000 1.048 683 N CA 0.375 53.217 53.050 -0.347 0.000 0.714 683 N CB -1.041 37.028 38.487 -0.696 0.000 0.959 683 N HN 0.684 nan 8.380 nan 0.000 0.544 684 I N 1.878 122.333 120.570 -0.191 0.000 2.379 684 I HA 0.045 4.090 4.170 -0.208 0.000 0.290 684 I C 0.463 176.531 176.117 -0.082 0.000 1.063 684 I CA 0.392 61.607 61.300 -0.142 0.000 1.351 684 I CB 0.890 38.731 38.000 -0.265 0.000 1.410 684 I HN 0.128 nan 8.210 nan 0.000 0.505 685 Q N 5.093 124.866 119.800 -0.045 0.000 2.375 685 Q HA 0.465 4.680 4.340 -0.208 0.000 0.271 685 Q C -0.842 175.162 176.000 0.007 0.000 1.074 685 Q CA -0.943 54.845 55.803 -0.025 0.000 0.808 685 Q CB 2.658 31.369 28.738 -0.045 0.000 1.327 685 Q HN 0.460 nan 8.270 nan 0.000 0.441 686 N N -0.015 118.693 118.700 0.013 0.000 2.480 686 N HA 0.196 4.811 4.740 -0.208 0.000 0.289 686 N C -0.475 175.039 175.510 0.006 0.000 1.073 686 N CA -0.290 52.774 53.050 0.023 0.000 0.885 686 N CB 1.621 40.139 38.487 0.052 0.000 1.421 686 N HN 0.632 nan 8.380 nan 0.000 0.503 687 T N -0.812 113.738 114.554 -0.008 0.000 3.040 687 T HA 0.157 4.382 4.350 -0.208 0.000 0.250 687 T C 0.949 175.639 174.700 -0.015 0.000 1.058 687 T CA 0.183 62.273 62.100 -0.016 0.000 0.988 687 T CB -0.254 68.597 68.868 -0.028 0.000 0.993 687 T HN 0.411 nan 8.240 nan 0.000 0.519 688 S N 1.685 117.379 115.700 -0.011 0.000 2.671 688 S HA 0.345 4.690 4.470 -0.208 0.000 0.272 688 S C 1.407 176.010 174.600 0.006 0.000 1.174 688 S CA 0.158 58.353 58.200 -0.008 0.000 1.004 688 S CB 0.925 64.121 63.200 -0.006 0.000 1.077 688 S HN 0.413 nan 8.310 nan 0.000 0.553 689 T N -2.428 112.132 114.554 0.009 0.000 3.060 689 T HA 0.206 4.431 4.350 -0.208 0.000 0.249 689 T C 0.021 174.732 174.700 0.018 0.000 1.079 689 T CA -0.259 61.848 62.100 0.011 0.000 1.013 689 T CB -0.515 68.358 68.868 0.008 0.000 0.975 689 T HN 0.581 nan 8.240 nan 0.000 0.518 690 D N 3.259 123.677 120.400 0.029 0.000 2.358 690 D HA 0.258 4.773 4.640 -0.208 0.000 0.244 690 D C 0.347 176.672 176.300 0.041 0.000 1.163 690 D CA 0.029 54.052 54.000 0.037 0.000 0.945 690 D CB 1.176 42.013 40.800 0.061 0.000 1.152 690 D HN 0.406 nan 8.370 nan 0.000 0.451 691 T N -2.321 112.254 114.554 0.036 0.000 2.909 691 T HA 0.588 4.813 4.350 -0.208 0.000 0.289 691 T C -0.130 174.609 174.700 0.065 0.000 1.005 691 T CA -0.968 61.156 62.100 0.040 0.000 1.084 691 T CB 1.480 70.357 68.868 0.016 0.000 0.975 691 T HN 0.433 nan 8.240 nan 0.000 0.509 692 A N 1.434 124.308 122.820 0.090 0.000 2.340 692 A HA 0.962 5.157 4.320 -0.208 0.000 0.331 692 A C -0.094 177.565 177.584 0.126 0.000 1.140 692 A CA -0.682 51.441 52.037 0.144 0.000 0.801 692 A CB 0.989 20.110 19.000 0.201 0.000 1.234 692 A HN 1.734 nan 8.150 nan 0.000 0.469 693 A N 0.584 123.490 122.820 0.144 0.000 2.599 693 A HA 0.716 4.911 4.320 -0.208 0.000 0.294 693 A C -0.533 177.110 177.584 0.098 0.000 1.055 693 A CA -0.389 51.649 52.037 0.002 0.000 0.683 693 A CB 0.798 19.759 19.000 -0.065 0.000 1.278 693 A HN 0.889 nan 8.150 nan 0.000 0.412 694 T N 1.857 116.433 114.554 0.036 0.000 2.794 694 T HA 0.552 4.777 4.350 -0.208 0.000 0.280 694 T C -0.081 174.599 174.700 -0.033 0.000 0.987 694 T CA 0.041 62.187 62.100 0.076 0.000 0.993 694 T CB 1.085 70.003 68.868 0.083 0.000 0.939 694 T HN 0.589 nan 8.240 nan 0.000 0.449 695 T N 4.238 118.791 114.554 -0.002 0.000 2.723 695 T HA 0.261 4.486 4.350 -0.208 0.000 0.297 695 T C 1.644 176.331 174.700 -0.023 0.000 0.925 695 T CA -0.300 61.788 62.100 -0.019 0.000 1.030 695 T CB 0.104 68.985 68.868 0.022 0.000 0.905 695 T HN 0.454 nan 8.240 nan 0.000 0.502 696 I N 1.721 122.203 120.570 -0.146 0.000 2.353 696 I HA 0.026 4.071 4.170 -0.208 0.000 0.248 696 I C 0.965 177.025 176.117 -0.095 0.000 1.119 696 I CA 1.055 62.184 61.300 -0.285 0.000 1.417 696 I CB 0.289 37.918 38.000 -0.619 0.000 1.078 696 I HN 0.535 nan 8.210 nan 0.000 0.421 697 D N -0.948 119.406 120.400 -0.076 0.000 2.728 697 D HA 0.178 4.693 4.640 -0.208 0.000 0.249 697 D C -1.461 174.837 176.300 -0.004 0.000 1.225 697 D CA -0.437 53.586 54.000 0.039 0.000 0.748 697 D CB 1.328 42.164 40.800 0.060 0.000 1.326 697 D HN -0.081 nan 8.370 nan 0.000 0.426 698 Q N 2.348 122.174 119.800 0.044 0.000 2.961 698 Q HA 0.339 4.554 4.340 -0.208 0.000 0.223 698 Q C -1.474 174.664 176.000 0.231 0.000 0.859 698 Q CA -0.613 55.251 55.803 0.102 0.000 0.771 698 Q CB 1.087 29.846 28.738 0.035 0.000 1.389 698 Q HN 0.236 nan 8.270 nan 0.000 0.460 699 R N 2.086 122.707 120.500 0.201 0.000 2.346 699 R HA 0.315 4.530 4.340 -0.208 0.000 0.311 699 R C -0.946 175.406 176.300 0.087 0.000 0.983 699 R CA -0.322 55.918 56.100 0.234 0.000 0.880 699 R CB 1.047 31.392 30.300 0.075 0.000 1.100 699 R HN 0.315 nan 8.270 nan 0.000 0.453 700 K N 4.864 125.208 120.400 -0.095 0.000 2.297 700 K HA 0.218 4.413 4.320 -0.208 0.000 0.286 700 K C -0.623 175.747 176.600 -0.383 0.000 1.053 700 K CA -0.290 55.481 56.287 -0.860 0.000 0.940 700 K CB 0.454 32.269 32.500 -1.143 0.000 1.019 700 K HN 0.499 nan 8.250 nan 0.000 0.475 701 L N 2.926 123.932 121.223 -0.362 0.000 2.431 701 L HA 0.369 4.584 4.340 -0.208 0.000 0.260 701 L C 0.017 176.771 176.870 -0.194 0.000 1.098 701 L CA -0.752 53.991 54.840 -0.162 0.000 0.800 701 L CB 1.099 43.108 42.059 -0.083 0.000 1.210 701 L HN 0.641 nan 8.230 nan 0.000 0.465 702 E N -0.447 119.653 120.200 -0.166 0.000 2.145 702 E HA 0.132 4.357 4.350 -0.208 0.000 0.270 702 E C 0.309 176.833 176.600 -0.127 0.000 0.906 702 E CA -0.253 56.059 56.400 -0.148 0.000 0.761 702 E CB 1.732 31.340 29.700 -0.152 0.000 1.116 702 E HN 0.677 nan 8.360 nan 0.000 0.408 703 S N 1.386 117.030 115.700 -0.094 0.000 2.469 703 S HA -0.206 4.139 4.470 -0.208 0.000 0.238 703 S C 1.889 176.446 174.600 -0.071 0.000 0.998 703 S CA 1.363 59.519 58.200 -0.073 0.000 0.957 703 S CB -0.147 63.022 63.200 -0.051 0.000 0.764 703 S HN 0.474 nan 8.310 nan 0.000 0.514 704 S N 2.125 117.780 115.700 -0.074 0.000 2.377 704 S HA 0.065 4.410 4.470 -0.208 0.000 0.223 704 S C 0.896 175.442 174.600 -0.090 0.000 1.030 704 S CA 0.217 58.378 58.200 -0.066 0.000 0.970 704 S CB -0.716 62.454 63.200 -0.050 0.000 0.830 704 S HN 0.588 nan 8.310 nan 0.000 0.473 705 N N 3.653 122.272 118.700 -0.135 0.000 3.194 705 N HA 0.309 4.924 4.740 -0.208 0.000 0.271 705 N C -2.846 172.497 175.510 -0.278 0.000 1.308 705 N CA -1.141 51.794 53.050 -0.192 0.000 1.042 705 N CB 1.091 39.443 38.487 -0.225 0.000 1.310 705 N HN 0.475 nan 8.380 nan 0.000 0.502 706 P HA 0.025 nan 4.420 nan 0.000 0.270 706 P C -0.889 176.291 177.300 -0.200 0.000 1.223 706 P CA 0.191 63.193 63.100 -0.164 0.000 0.785 706 P CB 0.752 32.407 31.700 -0.076 0.000 0.923 707 Y N 0.368 120.628 120.300 -0.066 0.000 2.361 707 Y HA 0.386 4.811 4.550 -0.208 0.000 0.332 707 Y C 1.096 176.950 175.900 -0.078 0.000 1.101 707 Y CA -0.323 57.731 58.100 -0.076 0.000 1.137 707 Y CB 1.553 39.956 38.460 -0.095 0.000 1.207 707 Y HN 0.264 nan 8.280 nan 0.000 0.463 708 K N 2.423 122.906 120.400 0.138 0.000 2.265 708 K HA 0.630 4.825 4.320 -0.208 0.000 0.267 708 K C -1.762 174.777 176.600 -0.102 0.000 0.994 708 K CA -0.433 55.834 56.287 -0.033 0.000 0.860 708 K CB 0.689 33.175 32.500 -0.023 0.000 1.099 708 K HN 0.469 nan 8.250 nan 0.000 0.448 709 V N 5.428 125.219 119.914 -0.206 0.000 2.481 709 V HA 0.365 4.360 4.120 -0.208 0.000 0.286 709 V C -0.908 175.012 176.094 -0.290 0.000 1.042 709 V CA -0.551 61.645 62.300 -0.173 0.000 0.928 709 V CB 0.558 32.294 31.823 -0.145 0.000 0.986 709 V HN 0.644 nan 8.190 nan 0.000 0.462 710 Y N 2.390 122.699 120.300 0.014 0.000 2.462 710 Y HA 0.701 5.126 4.550 -0.208 0.000 0.346 710 Y C -0.176 175.731 175.900 0.012 0.000 0.976 710 Y CA -0.986 57.143 58.100 0.047 0.000 1.044 710 Y CB 2.256 40.795 38.460 0.133 0.000 1.230 710 Y HN 0.321 nan 8.280 nan 0.000 0.455 711 V N 3.341 123.342 119.914 0.145 0.000 2.483 711 V HA 0.283 4.278 4.120 -0.208 0.000 0.297 711 V C -0.557 175.626 176.094 0.149 0.000 1.027 711 V CA -1.290 61.048 62.300 0.062 0.000 0.855 711 V CB 1.364 33.107 31.823 -0.133 0.000 0.995 711 V HN 0.939 nan 8.190 nan 0.000 0.424 712 N N 3.494 122.303 118.700 0.181 0.000 2.735 712 N HA -0.200 4.415 4.740 -0.208 0.000 0.248 712 N C 0.526 176.128 175.510 0.153 0.000 1.083 712 N CA 1.355 54.505 53.050 0.166 0.000 0.703 712 N CB -0.993 37.572 38.487 0.130 0.000 1.005 712 N HN 1.033 nan 8.380 nan 0.000 0.550 713 D N -2.609 117.902 120.400 0.185 0.000 3.028 713 D HA -0.181 4.334 4.640 -0.208 0.000 0.207 713 D C -0.788 175.655 176.300 0.239 0.000 1.100 713 D CA 1.425 55.504 54.000 0.132 0.000 0.995 713 D CB -0.231 40.591 40.800 0.036 0.000 1.108 713 D HN 0.424 nan 8.370 nan 0.000 0.421 714 K N 1.149 121.710 120.400 0.269 0.000 2.206 714 K HA 0.331 4.526 4.320 -0.208 0.000 0.264 714 K C 0.238 176.976 176.600 0.229 0.000 0.967 714 K CA -0.560 55.874 56.287 0.245 0.000 0.844 714 K CB 1.372 33.959 32.500 0.145 0.000 1.099 714 K HN 0.174 nan 8.250 nan 0.000 0.441 715 E N 1.325 121.601 120.200 0.127 0.000 2.452 715 E HA 0.124 4.349 4.350 -0.208 0.000 0.261 715 E C -0.771 175.783 176.600 -0.077 0.000 0.987 715 E CA 0.188 56.483 56.400 -0.175 0.000 0.926 715 E CB 0.691 30.260 29.700 -0.218 0.000 0.934 715 E HN 0.607 nan 8.360 nan 0.000 0.452 716 A N 2.836 125.581 122.820 -0.126 0.000 2.365 716 A HA 0.457 4.652 4.320 -0.208 0.000 0.318 716 A C -0.836 176.719 177.584 -0.049 0.000 1.091 716 A CA -0.742 51.275 52.037 -0.034 0.000 0.763 716 A CB 1.551 20.511 19.000 -0.065 0.000 1.248 716 A HN 0.493 nan 8.150 nan 0.000 0.442 717 S N 2.549 118.256 115.700 0.012 0.000 2.461 717 S HA 0.496 4.841 4.470 -0.208 0.000 0.322 717 S C -0.267 174.353 174.600 0.033 0.000 1.063 717 S CA -0.496 57.705 58.200 0.002 0.000 1.120 717 S CB 0.202 63.403 63.200 0.002 0.000 0.968 717 S HN 0.558 nan 8.310 nan 0.000 0.467 718 L N 3.757 124.989 121.223 0.015 0.000 2.349 718 L HA 0.420 4.635 4.340 -0.208 0.000 0.275 718 L C 1.002 177.884 176.870 0.021 0.000 1.115 718 L CA -0.247 54.612 54.840 0.031 0.000 0.820 718 L CB 0.826 42.887 42.059 0.003 0.000 1.135 718 L HN 0.697 nan 8.230 nan 0.000 0.445 719 T N -2.226 112.343 114.554 0.026 0.000 2.905 719 T HA 0.273 4.498 4.350 -0.208 0.000 0.283 719 T C 0.733 175.438 174.700 0.009 0.000 1.031 719 T CA -0.874 61.233 62.100 0.012 0.000 1.002 719 T CB 1.860 70.731 68.868 0.006 0.000 1.200 719 T HN 0.490 nan 8.240 nan 0.000 0.560 720 E N -0.095 120.107 120.200 0.003 0.000 2.150 720 E HA -0.087 4.139 4.350 -0.208 0.000 0.193 720 E C 0.831 177.429 176.600 -0.005 0.000 0.985 720 E CA 0.744 57.144 56.400 0.000 0.000 0.814 720 E CB 0.147 29.845 29.700 -0.003 0.000 0.752 720 E HN 0.605 nan 8.360 nan 0.000 0.466 721 Q N 1.230 121.025 119.800 -0.008 0.000 2.293 721 Q HA 0.061 4.276 4.340 -0.208 0.000 0.251 721 Q C -0.670 175.323 176.000 -0.012 0.000 0.930 721 Q CA -0.099 55.695 55.803 -0.015 0.000 0.893 721 Q CB 0.880 29.606 28.738 -0.020 0.000 1.215 721 Q HN -0.059 nan 8.270 nan 0.000 0.425 722 E N 2.675 122.863 120.200 -0.020 0.000 2.376 722 E HA 0.019 4.245 4.350 -0.208 0.000 0.266 722 E C -0.935 175.644 176.600 -0.036 0.000 1.009 722 E CA 0.384 56.773 56.400 -0.018 0.000 0.902 722 E CB 0.632 30.315 29.700 -0.029 0.000 0.972 722 E HN 0.290 nan 8.360 nan 0.000 0.439 723 K N 3.204 123.591 120.400 -0.021 0.000 2.207 723 K HA 0.261 4.456 4.320 -0.208 0.000 0.255 723 K C -1.167 175.295 176.600 -0.229 0.000 0.941 723 K CA -0.921 55.283 56.287 -0.137 0.000 0.825 723 K CB 1.355 33.780 32.500 -0.124 0.000 1.119 723 K HN 0.450 nan 8.250 nan 0.000 0.430 724 D N 1.708 121.897 120.400 -0.351 0.000 2.210 724 D HA 0.185 4.700 4.640 -0.208 0.000 0.249 724 D C -0.767 175.197 176.300 -0.559 0.000 1.078 724 D CA 0.055 53.873 54.000 -0.303 0.000 0.875 724 D CB 0.721 41.406 40.800 -0.192 0.000 1.175 724 D HN 0.329 nan 8.370 nan 0.000 0.440 725 Y N 1.946 122.189 120.300 -0.096 0.000 2.805 725 Y HA 0.247 4.672 4.550 -0.208 0.000 0.339 725 Y C -2.053 173.776 175.900 -0.120 0.000 1.012 725 Y CA -1.980 56.062 58.100 -0.096 0.000 1.262 725 Y CB 1.478 39.877 38.460 -0.101 0.000 1.100 725 Y HN 0.123 nan 8.280 nan 0.000 0.559 726 P HA 0.095 nan 4.420 nan 0.000 0.276 726 P C -0.124 177.158 177.300 -0.030 0.000 1.244 726 P CA -0.066 63.004 63.100 -0.050 0.000 0.801 726 P CB 1.088 32.755 31.700 -0.056 0.000 1.006 727 E N -2.105 118.067 120.200 -0.046 0.000 2.476 727 E HA -0.129 4.096 4.350 -0.208 0.000 0.251 727 E C -0.568 176.018 176.600 -0.024 0.000 1.130 727 E CA 0.911 57.296 56.400 -0.026 0.000 0.736 727 E CB -2.625 27.075 29.700 0.000 0.000 1.298 727 E HN 0.456 nan 8.360 nan 0.000 0.400 728 T N 0.585 115.082 114.554 -0.096 0.000 2.794 728 T HA 0.222 4.447 4.350 -0.208 0.000 0.296 728 T C 1.349 176.009 174.700 -0.068 0.000 0.949 728 T CA 0.111 62.148 62.100 -0.105 0.000 1.101 728 T CB 1.428 70.129 68.868 -0.278 0.000 0.905 728 T HN 0.202 nan 8.240 nan 0.000 0.516 729 Q N 2.554 122.425 119.800 0.118 0.000 2.396 729 Q HA 0.196 4.411 4.340 -0.208 0.000 0.220 729 Q C 0.432 176.711 176.000 0.465 0.000 0.900 729 Q CA 0.105 56.053 55.803 0.242 0.000 0.925 729 Q CB 0.607 29.480 28.738 0.224 0.000 1.065 729 Q HN 0.739 nan 8.270 nan 0.000 0.535 730 S N -1.886 114.086 115.700 0.453 0.000 2.547 730 S HA 0.700 5.045 4.470 -0.208 0.000 0.270 730 S C -1.391 173.483 174.600 0.458 0.000 1.150 730 S CA -0.837 57.706 58.200 0.572 0.000 0.850 730 S CB 1.682 65.224 63.200 0.570 0.000 1.118 730 S HN -0.066 nan 8.310 nan 0.000 0.461 731 V N 2.432 122.633 119.914 0.478 0.000 2.760 731 V HA 0.753 4.748 4.120 -0.208 0.000 0.309 731 V C -1.567 174.681 176.094 0.257 0.000 1.077 731 V CA -0.554 61.927 62.300 0.302 0.000 0.910 731 V CB 1.715 33.654 31.823 0.193 0.000 1.008 731 V HN 0.922 nan 8.190 nan 0.000 0.424 732 F N 5.072 125.009 119.950 -0.022 0.000 2.539 732 F HA 0.674 5.076 4.527 -0.208 0.000 0.318 732 F C -0.867 174.889 175.800 -0.073 0.000 1.135 732 F CA -0.772 57.082 58.000 -0.244 0.000 0.915 732 F CB 1.644 40.431 39.000 -0.355 0.000 1.176 732 F HN 0.305 nan 8.300 nan 0.000 0.440 733 L N 5.621 126.358 121.223 -0.810 0.000 2.264 733 L HA 0.404 4.619 4.340 -0.208 0.000 0.287 733 L C -0.301 176.167 176.870 -0.670 0.000 1.039 733 L CA -0.426 54.000 54.840 -0.689 0.000 0.829 733 L CB 1.254 42.691 42.059 -1.035 0.000 1.211 733 L HN 0.612 nan 8.230 nan 0.000 0.427 734 E N 2.816 122.954 120.200 -0.105 0.000 2.146 734 E HA 0.339 4.564 4.350 -0.208 0.000 0.282 734 E C -0.788 175.953 176.600 0.235 0.000 0.989 734 E CA -0.193 56.277 56.400 0.117 0.000 0.799 734 E CB 1.615 31.603 29.700 0.479 0.000 1.088 734 E HN 0.533 nan 8.360 nan 0.000 0.397 735 S N 2.210 117.987 115.700 0.128 0.000 2.704 735 S HA 0.229 4.574 4.470 -0.208 0.000 0.305 735 S C 0.994 175.599 174.600 0.009 0.000 1.107 735 S CA -0.018 58.164 58.200 -0.031 0.000 0.993 735 S CB 1.478 64.577 63.200 -0.167 0.000 1.110 735 S HN 0.582 nan 8.310 nan 0.000 0.534 736 S N 0.732 116.413 115.700 -0.031 0.000 2.453 736 S HA 0.024 4.369 4.470 -0.208 0.000 0.231 736 S C 0.305 174.910 174.600 0.007 0.000 1.005 736 S CA 0.554 58.754 58.200 0.001 0.000 0.949 736 S CB -0.392 62.798 63.200 -0.016 0.000 0.774 736 S HN 0.730 nan 8.310 nan 0.000 0.510 737 D N 2.006 122.399 120.400 -0.012 0.000 2.412 737 D HA 0.346 4.861 4.640 -0.208 0.000 0.224 737 D C 1.199 177.514 176.300 0.026 0.000 1.093 737 D CA 0.057 54.061 54.000 0.006 0.000 0.850 737 D CB 1.670 42.465 40.800 -0.008 0.000 1.046 737 D HN 0.205 nan 8.370 nan 0.000 0.507 738 S N 3.950 119.679 115.700 0.048 0.000 2.440 738 S HA -0.167 4.178 4.470 -0.208 0.000 0.238 738 S C 1.400 176.037 174.600 0.061 0.000 1.010 738 S CA 0.643 58.884 58.200 0.068 0.000 0.972 738 S CB -0.081 63.166 63.200 0.078 0.000 0.774 738 S HN 0.294 nan 8.310 nan 0.000 0.501 739 K N 1.203 121.638 120.400 0.059 0.000 2.589 739 K HA 0.207 4.402 4.320 -0.208 0.000 0.192 739 K C 0.931 177.569 176.600 0.063 0.000 1.029 739 K CA 0.442 56.773 56.287 0.075 0.000 1.031 739 K CB -0.061 32.492 32.500 0.088 0.000 0.821 739 K HN 0.571 nan 8.250 nan 0.000 0.502 740 K N -0.137 120.286 120.400 0.038 0.000 2.438 740 K HA 0.127 4.322 4.320 -0.208 0.000 0.206 740 K C -0.171 176.466 176.600 0.063 0.000 1.081 740 K CA -0.292 56.019 56.287 0.041 0.000 1.053 740 K CB 0.580 33.073 32.500 -0.013 0.000 0.908 740 K HN -0.033 nan 8.250 nan 0.000 0.556 741 N N 1.609 120.301 118.700 -0.012 0.000 2.492 741 N HA 0.163 4.778 4.740 -0.208 0.000 0.260 741 N C -0.542 174.768 175.510 -0.333 0.000 1.215 741 N CA 0.498 53.436 53.050 -0.187 0.000 0.923 741 N CB 0.635 39.040 38.487 -0.137 0.000 1.092 741 N HN 0.065 nan 8.380 nan 0.000 0.448 742 I N 0.201 120.396 120.570 -0.625 0.000 2.512 742 I HA 0.421 4.466 4.170 -0.208 0.000 0.287 742 I C 0.370 175.928 176.117 -0.932 0.000 1.069 742 I CA -0.818 60.083 61.300 -0.664 0.000 1.056 742 I CB 2.182 39.843 38.000 -0.566 0.000 1.229 742 I HN 0.387 nan 8.210 nan 0.000 0.429 743 G N 4.799 113.104 108.800 -0.826 0.000 2.482 743 G HA2 0.739 4.574 3.960 -0.208 0.000 0.317 743 G HA3 0.739 4.574 3.960 -0.208 0.000 0.317 743 G C -1.831 172.658 174.900 -0.685 0.000 1.241 743 G CA -0.386 44.203 45.100 -0.852 0.000 0.967 743 G HN 0.402 nan 8.290 nan 0.000 0.482 744 Y N 0.459 120.728 120.300 -0.051 0.000 2.346 744 Y HA 0.478 4.903 4.550 -0.208 0.000 0.332 744 Y C -0.866 175.064 175.900 0.051 0.000 0.985 744 Y CA -1.223 56.814 58.100 -0.105 0.000 1.112 744 Y CB 2.180 40.383 38.460 -0.429 0.000 1.170 744 Y HN 0.506 nan 8.280 nan 0.000 0.447 745 F N 4.801 124.711 119.950 -0.065 0.000 2.388 745 F HA 0.625 5.027 4.527 -0.208 0.000 0.358 745 F C -1.515 174.008 175.800 -0.461 0.000 1.122 745 F CA -2.218 55.695 58.000 -0.145 0.000 1.056 745 F CB 0.308 39.192 39.000 -0.194 0.000 1.155 745 F HN 0.292 nan 8.300 nan 0.000 0.461 746 F N 7.702 127.300 119.950 -0.586 0.000 2.390 746 F HA 0.267 4.669 4.527 -0.208 0.000 0.361 746 F C 0.649 175.858 175.800 -0.985 0.000 1.124 746 F CA -0.423 57.219 58.000 -0.597 0.000 1.149 746 F CB 0.280 39.165 39.000 -0.191 0.000 1.160 746 F HN 0.456 nan 8.300 nan 0.000 0.501 747 F N 1.005 120.629 119.950 -0.543 0.000 2.154 747 F HA -0.158 4.244 4.527 -0.208 0.000 0.301 747 F C 1.108 176.806 175.800 -0.170 0.000 1.087 747 F CA 1.187 58.922 58.000 -0.442 0.000 1.274 747 F CB -0.510 38.385 39.000 -0.175 0.000 1.009 747 F HN 0.201 nan 8.300 nan 0.000 0.485 748 K N -0.048 120.421 120.400 0.113 0.000 2.378 748 K HA 0.251 4.446 4.320 -0.208 0.000 0.252 748 K C -0.480 176.171 176.600 0.084 0.000 0.931 748 K CA -0.735 55.614 56.287 0.104 0.000 0.794 748 K CB 1.419 33.988 32.500 0.115 0.000 1.181 748 K HN -0.211 nan 8.250 nan 0.000 0.425 749 K N 1.612 122.046 120.400 0.056 0.000 2.530 749 K HA 0.033 4.228 4.320 -0.208 0.000 0.280 749 K C -0.414 176.168 176.600 -0.031 0.000 1.004 749 K CA 0.584 56.880 56.287 0.014 0.000 1.071 749 K CB 0.256 32.767 32.500 0.018 0.000 0.876 749 K HN 0.502 nan 8.250 nan 0.000 0.487 750 S N 1.044 116.646 115.700 -0.162 0.000 2.599 750 S HA 0.198 4.543 4.470 -0.208 0.000 0.294 750 S C -0.558 173.885 174.600 -0.262 0.000 1.094 750 S CA -0.789 57.289 58.200 -0.203 0.000 0.931 750 S CB 2.081 65.122 63.200 -0.264 0.000 1.093 750 S HN 0.490 nan 8.310 nan 0.000 0.488 751 S N 1.977 117.577 115.700 -0.168 0.000 2.404 751 S HA 0.556 4.901 4.470 -0.208 0.000 0.309 751 S C -0.172 174.324 174.600 -0.173 0.000 1.076 751 S CA -0.705 57.409 58.200 -0.144 0.000 1.095 751 S CB -1.016 62.133 63.200 -0.085 0.000 0.972 751 S HN 0.544 nan 8.310 nan 0.000 0.484 752 I N 1.966 122.422 120.570 -0.189 0.000 3.067 752 I HA 0.904 4.949 4.170 -0.208 0.000 0.312 752 I C -0.389 175.703 176.117 -0.042 0.000 1.073 752 I CA -0.892 60.308 61.300 -0.168 0.000 1.016 752 I CB 2.321 40.153 38.000 -0.279 0.000 1.227 752 I HN 0.497 nan 8.210 nan 0.000 0.456 753 S N 3.641 119.322 115.700 -0.031 0.000 2.549 753 S HA 0.797 5.142 4.470 -0.208 0.000 0.280 753 S C -0.923 173.701 174.600 0.040 0.000 1.109 753 S CA -0.796 57.426 58.200 0.037 0.000 0.905 753 S CB 1.826 65.007 63.200 -0.030 0.000 1.081 753 S HN 0.775 nan 8.310 nan 0.000 0.477 754 M N 2.250 121.925 119.600 0.126 0.000 2.593 754 M HA 0.672 5.027 4.480 -0.208 0.000 0.290 754 M C -1.082 175.250 176.300 0.055 0.000 1.244 754 M CA -0.554 54.771 55.300 0.042 0.000 0.857 754 M CB 2.694 35.277 32.600 -0.029 0.000 1.738 754 M HN 1.054 nan 8.290 nan 0.000 0.461 755 S N 0.893 116.598 115.700 0.008 0.000 2.552 755 S HA 0.613 4.958 4.470 -0.208 0.000 0.272 755 S C -1.633 172.972 174.600 0.008 0.000 1.150 755 S CA -1.042 57.166 58.200 0.013 0.000 0.849 755 S CB 2.413 65.615 63.200 0.004 0.000 1.113 755 S HN 0.752 nan 8.310 nan 0.000 0.458 756 K N 1.083 121.492 120.400 0.015 0.000 2.579 756 K HA 0.743 4.938 4.320 -0.208 0.000 0.250 756 K C -1.138 175.478 176.600 0.027 0.000 0.952 756 K CA -0.504 55.797 56.287 0.023 0.000 0.857 756 K CB 1.272 33.780 32.500 0.013 0.000 1.123 756 K HN 1.071 nan 8.250 nan 0.000 0.433 757 A N 3.734 126.582 122.820 0.046 0.000 2.515 757 A HA 0.500 4.695 4.320 -0.208 0.000 0.298 757 A C -1.756 175.867 177.584 0.065 0.000 1.059 757 A CA -0.832 51.227 52.037 0.037 0.000 0.698 757 A CB 1.330 20.340 19.000 0.016 0.000 1.289 757 A HN 0.693 nan 8.150 nan 0.000 0.404 758 L N 1.370 122.618 121.223 0.041 0.000 2.361 758 L HA 0.357 4.572 4.340 -0.208 0.000 0.278 758 L C -0.027 176.870 176.870 0.044 0.000 1.113 758 L CA 0.835 55.705 54.840 0.050 0.000 0.849 758 L CB 0.404 42.475 42.059 0.021 0.000 1.155 758 L HN 0.676 nan 8.230 nan 0.000 0.452 759 Q N 5.436 125.284 119.800 0.081 0.000 2.322 759 Q HA 0.464 4.679 4.340 -0.208 0.000 0.265 759 Q C -1.011 174.980 176.000 -0.015 0.000 0.985 759 Q CA -0.749 55.051 55.803 -0.005 0.000 0.849 759 Q CB 2.028 30.694 28.738 -0.119 0.000 1.274 759 Q HN 0.556 nan 8.270 nan 0.000 0.449 760 K N 0.653 121.026 120.400 -0.045 0.000 2.221 760 K HA 0.895 5.090 4.320 -0.208 0.000 0.243 760 K C -0.190 176.362 176.600 -0.081 0.000 0.968 760 K CA -0.822 55.437 56.287 -0.047 0.000 0.846 760 K CB 1.910 34.394 32.500 -0.027 0.000 1.141 760 K HN 0.749 nan 8.250 nan 0.000 0.434 761 G N -0.511 108.237 108.800 -0.086 0.000 2.322 761 G HA2 0.548 4.383 3.960 -0.208 0.000 0.295 761 G HA3 0.548 4.383 3.960 -0.208 0.000 0.295 761 G C -2.009 172.824 174.900 -0.111 0.000 1.369 761 G CA -0.499 44.536 45.100 -0.110 0.000 0.821 761 G HN 0.658 nan 8.290 nan 0.000 0.536 762 A N -1.448 121.305 122.820 -0.111 0.000 2.498 762 A HA 0.665 4.861 4.320 -0.208 0.000 0.298 762 A C 0.100 177.636 177.584 -0.079 0.000 1.075 762 A CA -0.559 51.442 52.037 -0.061 0.000 0.714 762 A CB 0.861 19.875 19.000 0.022 0.000 1.299 762 A HN 0.934 nan 8.150 nan 0.000 0.407 763 W N 0.738 122.043 121.300 0.009 0.000 2.350 763 W HA -0.100 4.435 4.660 -0.207 0.000 0.289 763 W C 2.084 178.594 176.519 -0.014 0.000 1.215 763 W CA 1.769 59.119 57.345 0.009 0.000 1.236 763 W CB 0.283 29.754 29.460 0.020 0.000 1.130 763 W HN 0.776 nan 8.180 nan 0.000 0.541 764 K N 0.464 120.974 120.400 0.182 0.000 2.283 764 K HA -0.170 4.025 4.320 -0.208 0.000 0.202 764 K C 1.130 177.751 176.600 0.036 0.000 1.048 764 K CA 1.499 57.844 56.287 0.097 0.000 0.948 764 K CB -0.190 32.353 32.500 0.072 0.000 0.742 764 K HN 0.035 nan 8.250 nan 0.000 0.458 765 D N 0.716 121.117 120.400 0.001 0.000 2.144 765 D HA -0.164 4.351 4.640 -0.208 0.000 0.199 765 D C 1.714 177.962 176.300 -0.087 0.000 0.984 765 D CA 1.349 55.321 54.000 -0.047 0.000 0.834 765 D CB 0.000 40.752 40.800 -0.081 0.000 0.955 765 D HN 0.535 nan 8.370 nan 0.000 0.465 766 I N -3.721 116.799 120.570 -0.083 0.000 4.057 766 I HA 0.228 4.273 4.170 -0.208 0.000 0.334 766 I C 0.112 176.192 176.117 -0.061 0.000 1.308 766 I CA -0.141 61.080 61.300 -0.133 0.000 1.125 766 I CB 0.409 38.316 38.000 -0.155 0.000 1.034 766 I HN -0.253 nan 8.210 nan 0.000 0.401 767 N N 1.722 120.434 118.700 0.020 0.000 2.599 767 N HA 0.077 4.692 4.740 -0.208 0.000 0.283 767 N C 0.412 175.953 175.510 0.051 0.000 1.160 767 N CA -0.099 52.979 53.050 0.045 0.000 0.869 767 N CB 1.368 39.907 38.487 0.086 0.000 1.448 767 N HN -0.008 nan 8.380 nan 0.000 0.535 768 E N 2.148 122.371 120.200 0.039 0.000 2.147 768 E HA -0.113 4.112 4.350 -0.208 0.000 0.199 768 E C 1.239 177.858 176.600 0.032 0.000 1.005 768 E CA 1.395 57.817 56.400 0.037 0.000 0.810 768 E CB -0.017 29.707 29.700 0.040 0.000 0.736 768 E HN 0.764 nan 8.360 nan 0.000 0.460 769 G N 0.503 109.317 108.800 0.023 0.000 2.848 769 G HA2 -0.092 3.743 3.960 -0.208 0.000 0.208 769 G HA3 -0.092 3.743 3.960 -0.208 0.000 0.208 769 G C 0.743 175.649 174.900 0.010 0.000 1.152 769 G CA -0.050 45.056 45.100 0.010 0.000 0.789 769 G HN 0.043 nan 8.290 nan 0.000 0.531 770 Q N 0.007 119.831 119.800 0.039 0.000 2.195 770 Q HA 0.365 4.580 4.340 -0.208 0.000 0.250 770 Q C 0.083 176.128 176.000 0.076 0.000 0.988 770 Q CA -0.526 55.310 55.803 0.055 0.000 0.911 770 Q CB 1.274 30.098 28.738 0.143 0.000 1.258 770 Q HN 0.113 nan 8.270 nan 0.000 0.475 771 S N 0.990 116.739 115.700 0.081 0.000 2.560 771 S HA -0.036 4.309 4.470 -0.208 0.000 0.284 771 S C 0.426 175.100 174.600 0.123 0.000 1.327 771 S CA -0.206 58.045 58.200 0.086 0.000 1.055 771 S CB 0.247 63.494 63.200 0.078 0.000 0.868 771 S HN 0.606 nan 8.310 nan 0.000 0.506 772 D N 2.955 123.401 120.400 0.077 0.000 2.358 772 D HA 0.052 4.567 4.640 -0.208 0.000 0.224 772 D C 0.268 176.605 176.300 0.063 0.000 1.123 772 D CA -0.276 53.763 54.000 0.066 0.000 0.833 772 D CB 0.003 40.826 40.800 0.038 0.000 0.946 772 D HN 0.312 nan 8.370 nan 0.000 0.505 773 K N 1.727 122.177 120.400 0.084 0.000 2.412 773 K HA -0.016 4.179 4.320 -0.208 0.000 0.281 773 K C 0.089 176.736 176.600 0.078 0.000 1.027 773 K CA -0.141 56.191 56.287 0.076 0.000 0.989 773 K CB 0.734 33.287 32.500 0.088 0.000 0.935 773 K HN 0.174 nan 8.250 nan 0.000 0.475 774 E N 2.712 122.941 120.200 0.049 0.000 2.384 774 E HA 0.068 4.293 4.350 -0.208 0.000 0.266 774 E C -0.888 175.737 176.600 0.042 0.000 1.012 774 E CA -0.155 56.264 56.400 0.031 0.000 0.901 774 E CB 0.781 30.491 29.700 0.017 0.000 0.967 774 E HN 0.232 nan 8.360 nan 0.000 0.435 775 V N 3.800 123.725 119.914 0.017 0.000 2.914 775 V HA 0.455 4.450 4.120 -0.208 0.000 0.314 775 V C -0.438 175.652 176.094 -0.007 0.000 1.084 775 V CA -0.698 61.615 62.300 0.021 0.000 0.963 775 V CB 1.898 33.721 31.823 -0.000 0.000 1.025 775 V HN 0.812 nan 8.190 nan 0.000 0.432 776 E N 2.377 122.583 120.200 0.010 0.000 2.372 776 E HA 0.598 4.823 4.350 -0.208 0.000 0.279 776 E C -1.887 174.726 176.600 0.021 0.000 0.946 776 E CA -0.983 55.425 56.400 0.013 0.000 0.769 776 E CB 2.590 32.296 29.700 0.010 0.000 1.230 776 E HN 0.559 nan 8.360 nan 0.000 0.442 777 N N 1.208 119.942 118.700 0.058 0.000 2.484 777 N HA 0.199 4.814 4.740 -0.208 0.000 0.269 777 N C -1.643 173.884 175.510 0.028 0.000 1.237 777 N CA -0.678 52.363 53.050 -0.014 0.000 0.838 777 N CB 2.341 40.763 38.487 -0.109 0.000 1.593 777 N HN 0.656 nan 8.380 nan 0.000 0.485 778 E N 0.580 120.702 120.200 -0.130 0.000 2.259 778 E HA 0.474 4.699 4.350 -0.208 0.000 0.281 778 E C -1.388 175.083 176.600 -0.215 0.000 1.027 778 E CA -0.010 56.351 56.400 -0.066 0.000 0.838 778 E CB 0.433 30.087 29.700 -0.077 0.000 1.066 778 E HN 0.269 nan 8.360 nan 0.000 0.401 779 F N 3.223 123.135 119.950 -0.064 0.000 2.551 779 F HA 0.419 4.821 4.527 -0.209 0.000 0.316 779 F C -0.600 175.173 175.800 -0.045 0.000 1.089 779 F CA -0.878 57.084 58.000 -0.063 0.000 0.915 779 F CB 1.415 40.354 39.000 -0.102 0.000 1.186 779 F HN 0.331 nan 8.300 nan 0.000 0.456 780 L N 2.863 124.161 121.223 0.125 0.000 2.287 780 L HA 0.618 4.833 4.340 -0.208 0.000 0.287 780 L C -0.806 176.085 176.870 0.035 0.000 1.022 780 L CA 0.033 54.898 54.840 0.042 0.000 0.814 780 L CB 0.989 43.035 42.059 -0.021 0.000 1.217 780 L HN 0.632 nan 8.230 nan 0.000 0.420 781 T N 6.005 120.560 114.554 0.002 0.000 2.807 781 T HA 0.586 4.811 4.350 -0.208 0.000 0.279 781 T C -0.322 174.327 174.700 -0.085 0.000 0.993 781 T CA -0.268 61.814 62.100 -0.031 0.000 0.970 781 T CB 1.308 70.161 68.868 -0.025 0.000 0.950 781 T HN 0.352 nan 8.240 nan 0.000 0.441 782 I N 3.064 123.551 120.570 -0.139 0.000 2.436 782 I HA 0.585 4.630 4.170 -0.208 0.000 0.289 782 I C 0.077 176.085 176.117 -0.182 0.000 1.010 782 I CA -0.666 60.512 61.300 -0.204 0.000 1.098 782 I CB 1.865 39.638 38.000 -0.379 0.000 1.266 782 I HN 0.718 nan 8.210 nan 0.000 0.434 783 S N 4.616 120.224 115.700 -0.152 0.000 2.579 783 S HA 0.566 4.911 4.470 -0.208 0.000 0.272 783 S C -1.143 173.364 174.600 -0.155 0.000 1.141 783 S CA -0.852 57.264 58.200 -0.141 0.000 0.843 783 S CB 2.355 65.497 63.200 -0.097 0.000 1.122 783 S HN 0.670 nan 8.310 nan 0.000 0.468 784 Q N 1.020 120.713 119.800 -0.179 0.000 2.309 784 Q HA 0.658 4.873 4.340 -0.208 0.000 0.270 784 Q C -0.659 175.100 176.000 -0.401 0.000 1.023 784 Q CA -0.846 54.822 55.803 -0.226 0.000 0.758 784 Q CB 1.722 30.373 28.738 -0.145 0.000 1.247 784 Q HN 1.071 nan 8.270 nan 0.000 0.455 785 A N 3.522 126.159 122.820 -0.306 0.000 2.351 785 A HA 0.352 4.547 4.320 -0.208 0.000 0.257 785 A C -0.883 176.466 177.584 -0.392 0.000 1.087 785 A CA -0.160 51.700 52.037 -0.294 0.000 0.798 785 A CB 0.356 19.279 19.000 -0.128 0.000 1.033 785 A HN 0.823 nan 8.150 nan 0.000 0.488 786 H N 1.939 121.042 119.070 0.055 0.000 2.791 786 H HA 0.239 4.670 4.556 -0.208 0.000 0.272 786 H C -0.013 175.340 175.328 0.042 0.000 1.188 786 H CA -0.479 55.607 56.048 0.064 0.000 1.436 786 H CB 1.052 30.871 29.762 0.095 0.000 1.467 786 H HN 0.784 nan 8.280 nan 0.000 0.500 787 K N 0.706 121.175 120.400 0.114 0.000 2.379 787 K HA 0.077 4.272 4.320 -0.208 0.000 0.194 787 K C 0.310 176.945 176.600 0.060 0.000 1.031 787 K CA 0.239 56.566 56.287 0.067 0.000 1.037 787 K CB 0.786 33.305 32.500 0.032 0.000 0.824 787 K HN 0.376 nan 8.250 nan 0.000 0.516 788 Q N 0.668 120.510 119.800 0.070 0.000 2.399 788 Q HA 0.271 4.486 4.340 -0.208 0.000 0.276 788 Q C -0.702 175.318 176.000 0.034 0.000 1.098 788 Q CA -0.795 55.033 55.803 0.042 0.000 0.827 788 Q CB 1.145 29.901 28.738 0.031 0.000 1.386 788 Q HN -0.051 nan 8.270 nan 0.000 0.443 789 N N 0.121 118.827 118.700 0.011 0.000 2.520 789 N HA 0.318 4.933 4.740 -0.208 0.000 0.273 789 N C 0.804 176.299 175.510 -0.025 0.000 1.155 789 N CA 1.198 54.242 53.050 -0.010 0.000 0.967 789 N CB 0.822 39.299 38.487 -0.017 0.000 1.092 789 N HN 0.853 nan 8.380 nan 0.000 0.457 790 G N 1.080 109.849 108.800 -0.052 0.000 2.132 790 G HA2 -0.228 3.607 3.960 -0.208 0.000 0.234 790 G HA3 -0.228 3.607 3.960 -0.208 0.000 0.234 790 G C -0.058 174.807 174.900 -0.058 0.000 0.989 790 G CA -0.195 44.863 45.100 -0.070 0.000 0.676 790 G HN 0.557 nan 8.290 nan 0.000 0.522 791 D N 0.576 120.951 120.400 -0.043 0.000 2.371 791 D HA 0.648 5.163 4.640 -0.208 0.000 0.242 791 D C 0.933 177.189 176.300 -0.074 0.000 1.218 791 D CA 1.062 55.060 54.000 -0.004 0.000 0.945 791 D CB 1.285 42.135 40.800 0.084 0.000 1.137 791 D HN 0.830 nan 8.370 nan 0.000 0.464 792 S N -0.728 114.973 115.700 0.002 0.000 2.615 792 S HA 0.689 5.034 4.470 -0.208 0.000 0.269 792 S C -1.501 173.199 174.600 0.167 0.000 1.161 792 S CA -0.992 57.173 58.200 -0.057 0.000 0.817 792 S CB 1.378 64.531 63.200 -0.077 0.000 1.131 792 S HN 0.478 nan 8.310 nan 0.000 0.467 793 Y N -1.826 118.579 120.300 0.175 0.000 2.562 793 Y HA 0.921 5.346 4.550 -0.208 0.000 0.345 793 Y C -0.464 175.583 175.900 0.244 0.000 1.045 793 Y CA -0.834 57.446 58.100 0.301 0.000 1.028 793 Y CB 1.303 40.026 38.460 0.438 0.000 1.297 793 Y HN 1.299 nan 8.280 nan 0.000 0.463 794 G N 2.113 111.265 108.800 0.586 0.000 2.505 794 G HA2 0.524 4.359 3.960 -0.208 0.000 0.292 794 G HA3 0.524 4.359 3.960 -0.208 0.000 0.292 794 G C -2.275 172.840 174.900 0.359 0.000 1.332 794 G CA -0.738 44.634 45.100 0.452 0.000 1.286 794 G HN 1.146 nan 8.290 nan 0.000 0.606 795 Y N -0.252 120.099 120.300 0.086 0.000 2.638 795 Y HA 0.847 5.272 4.550 -0.208 0.000 0.335 795 Y C -0.914 174.787 175.900 -0.332 0.000 1.155 795 Y CA -2.058 55.682 58.100 -0.599 0.000 1.046 795 Y CB 1.892 39.862 38.460 -0.816 0.000 1.303 795 Y HN 0.549 nan 8.280 nan 0.000 0.460 796 M N 3.124 122.537 119.600 -0.312 0.000 2.294 796 M HA 0.570 4.925 4.480 -0.208 0.000 0.335 796 M C -2.016 174.364 176.300 0.134 0.000 1.079 796 M CA -1.040 54.291 55.300 0.052 0.000 0.982 796 M CB 1.485 34.154 32.600 0.115 0.000 1.651 796 M HN 0.759 nan 8.290 nan 0.000 0.437 797 L N 7.228 128.551 121.223 0.167 0.000 2.257 797 L HA 0.614 4.829 4.340 -0.208 0.000 0.290 797 L C -1.534 175.286 176.870 -0.084 0.000 1.044 797 L CA 0.254 55.087 54.840 -0.012 0.000 0.810 797 L CB 0.281 42.368 42.059 0.047 0.000 1.193 797 L HN 0.737 nan 8.230 nan 0.000 0.425 798 I N 8.293 128.790 120.570 -0.123 0.000 2.464 798 I HA 0.402 4.447 4.170 -0.208 0.000 0.277 798 I C -2.266 173.734 176.117 -0.195 0.000 1.040 798 I CA -1.550 59.702 61.300 -0.080 0.000 1.153 798 I CB 1.265 39.364 38.000 0.164 0.000 1.274 798 I HN 0.501 nan 8.210 nan 0.000 0.469 799 P HA 0.380 nan 4.420 nan 0.000 0.283 799 P C -0.553 176.631 177.300 -0.194 0.000 1.278 799 P CA -0.487 62.398 63.100 -0.358 0.000 0.834 799 P CB 0.724 32.093 31.700 -0.552 0.000 1.150 800 N N -2.944 115.704 118.700 -0.086 0.000 2.693 800 N HA -0.116 4.499 4.740 -0.208 0.000 0.249 800 N C -0.105 175.450 175.510 0.075 0.000 1.119 800 N CA 1.255 54.324 53.050 0.031 0.000 0.717 800 N CB -2.302 36.251 38.487 0.109 0.000 1.071 800 N HN 0.401 nan 8.380 nan 0.000 0.555 801 V N -3.390 116.588 119.914 0.107 0.000 2.914 801 V HA 0.787 4.782 4.120 -0.208 0.000 0.314 801 V C 0.456 176.673 176.094 0.205 0.000 1.084 801 V CA -1.243 61.134 62.300 0.129 0.000 0.963 801 V CB 2.336 34.232 31.823 0.122 0.000 1.025 801 V HN 0.139 nan 8.190 nan 0.000 0.432 802 D N 1.774 122.254 120.400 0.132 0.000 2.414 802 D HA 0.227 4.742 4.640 -0.208 0.000 0.251 802 D C 1.143 177.418 176.300 -0.042 0.000 1.252 802 D CA -0.360 53.724 54.000 0.140 0.000 0.999 802 D CB 0.747 41.587 40.800 0.067 0.000 1.093 802 D HN 0.621 nan 8.370 nan 0.000 0.515 803 R N -0.370 120.024 120.500 -0.177 0.000 2.097 803 R HA -0.203 4.012 4.340 -0.208 0.000 0.236 803 R C 2.129 178.195 176.300 -0.390 0.000 1.135 803 R CA 2.007 57.740 56.100 -0.610 0.000 0.934 803 R CB -0.772 29.274 30.300 -0.423 0.000 0.846 803 R HN 0.602 nan 8.270 nan 0.000 0.431 804 A N -0.336 122.356 122.820 -0.213 0.000 1.908 804 A HA -0.153 4.042 4.320 -0.208 0.000 0.218 804 A C 2.185 179.679 177.584 -0.149 0.000 1.181 804 A CA 2.113 54.053 52.037 -0.162 0.000 0.627 804 A CB -0.848 18.090 19.000 -0.104 0.000 0.818 804 A HN 0.487 nan 8.150 nan 0.000 0.445 805 T N -0.815 113.673 114.554 -0.109 0.000 2.777 805 T HA -0.117 4.108 4.350 -0.208 0.000 0.266 805 T C 1.612 176.251 174.700 -0.101 0.000 1.040 805 T CA 1.504 63.555 62.100 -0.082 0.000 1.141 805 T CB -0.395 68.457 68.868 -0.026 0.000 0.868 805 T HN 0.510 nan 8.240 nan 0.000 0.444 806 F N 3.025 122.806 119.950 -0.282 0.000 2.102 806 F HA -0.126 4.276 4.527 -0.208 0.000 0.298 806 F C 2.012 177.625 175.800 -0.311 0.000 1.105 806 F CA 1.121 58.937 58.000 -0.307 0.000 1.239 806 F CB -0.517 38.167 39.000 -0.527 0.000 0.991 806 F HN 0.023 nan 8.300 nan 0.000 0.474 807 N N 0.512 118.973 118.700 -0.399 0.000 2.166 807 N HA -0.229 4.386 4.740 -0.208 0.000 0.186 807 N C 1.857 177.135 175.510 -0.387 0.000 1.019 807 N CA 1.515 54.309 53.050 -0.428 0.000 0.856 807 N CB -0.595 37.738 38.487 -0.256 0.000 0.993 807 N HN 0.560 nan 8.380 nan 0.000 0.426 808 Q N 0.043 119.667 119.800 -0.292 0.000 2.123 808 Q HA 0.086 4.301 4.340 -0.208 0.000 0.199 808 Q C 2.007 177.839 176.000 -0.280 0.000 0.966 808 Q CA 0.954 56.616 55.803 -0.235 0.000 0.845 808 Q CB 0.054 28.694 28.738 -0.163 0.000 0.907 808 Q HN 0.278 nan 8.270 nan 0.000 0.439 809 M N 0.422 119.827 119.600 -0.325 0.000 2.175 809 M HA -0.102 4.253 4.480 -0.208 0.000 0.264 809 M C 2.131 178.137 176.300 -0.489 0.000 1.063 809 M CA 1.335 56.437 55.300 -0.329 0.000 1.119 809 M CB -0.266 32.177 32.600 -0.261 0.000 1.377 809 M HN 0.476 nan 8.290 nan 0.000 0.415 810 I N -2.411 117.702 120.570 -0.761 0.000 2.756 810 I HA -0.188 3.857 4.170 -0.208 0.000 0.262 810 I C 1.915 177.534 176.117 -0.831 0.000 1.225 810 I CA 1.174 61.774 61.300 -1.168 0.000 1.472 810 I CB -0.498 36.613 38.000 -1.482 0.000 1.094 810 I HN 0.147 nan 8.210 nan 0.000 0.454 811 K N 1.561 121.673 120.400 -0.480 0.000 2.116 811 K HA -0.047 4.148 4.320 -0.208 0.000 0.203 811 K C 1.917 178.392 176.600 -0.209 0.000 1.052 811 K CA 1.230 57.351 56.287 -0.277 0.000 0.952 811 K CB -0.072 32.307 32.500 -0.202 0.000 0.729 811 K HN 0.524 nan 8.250 nan 0.000 0.446 812 E N 0.855 120.919 120.200 -0.226 0.000 2.110 812 E HA -0.116 4.109 4.350 -0.208 0.000 0.193 812 E C 1.694 178.214 176.600 -0.133 0.000 0.988 812 E CA 0.810 57.114 56.400 -0.161 0.000 0.804 812 E CB -0.024 29.578 29.700 -0.164 0.000 0.745 812 E HN 0.198 nan 8.360 nan 0.000 0.458 813 L N 1.013 122.129 121.223 -0.178 0.000 2.591 813 L HA 0.002 4.217 4.340 -0.208 0.000 0.228 813 L C 2.096 179.063 176.870 0.161 0.000 1.133 813 L CA -0.089 54.738 54.840 -0.021 0.000 0.880 813 L CB -0.107 41.956 42.059 0.007 0.000 1.033 813 L HN 0.053 nan 8.230 nan 0.000 0.450 814 E N 1.091 121.323 120.200 0.053 0.000 2.136 814 E HA -0.256 3.969 4.350 -0.208 0.000 0.202 814 E C 1.352 178.092 176.600 0.233 0.000 1.019 814 E CA 1.864 58.377 56.400 0.188 0.000 0.819 814 E CB -0.020 29.724 29.700 0.073 0.000 0.739 814 E HN 0.227 nan 8.360 nan 0.000 0.458 815 S N -0.915 114.872 115.700 0.146 0.000 2.624 815 S HA 0.123 4.468 4.470 -0.208 0.000 0.246 815 S C 0.937 175.596 174.600 0.098 0.000 1.072 815 S CA 0.219 58.490 58.200 0.118 0.000 1.045 815 S CB 0.433 63.688 63.200 0.092 0.000 0.851 815 S HN 0.411 nan 8.310 nan 0.000 0.480 816 S N 0.737 116.501 115.700 0.106 0.000 2.428 816 S HA 0.091 4.436 4.470 -0.208 0.000 0.230 816 S C 0.617 175.100 174.600 -0.194 0.000 1.014 816 S CA -0.002 58.204 58.200 0.010 0.000 0.957 816 S CB -0.363 62.888 63.200 0.086 0.000 0.784 816 S HN 0.428 nan 8.310 nan 0.000 0.499 817 L N 2.567 123.577 121.223 -0.355 0.000 2.385 817 L HA 0.314 4.529 4.340 -0.208 0.000 0.281 817 L C 0.697 177.429 176.870 -0.230 0.000 1.106 817 L CA -0.208 54.308 54.840 -0.540 0.000 0.856 817 L CB 0.022 41.697 42.059 -0.641 0.000 1.186 817 L HN 0.065 nan 8.230 nan 0.000 0.453 818 I N 2.543 123.000 120.570 -0.188 0.000 2.494 818 I HA 0.190 4.235 4.170 -0.208 0.000 0.250 818 I C 0.638 176.698 176.117 -0.094 0.000 1.112 818 I CA 0.692 61.941 61.300 -0.085 0.000 1.438 818 I CB -0.685 37.306 38.000 -0.016 0.000 1.111 818 I HN 0.678 nan 8.210 nan 0.000 0.431 819 E N 0.218 120.344 120.200 -0.124 0.000 2.388 819 E HA 0.310 4.535 4.350 -0.208 0.000 0.281 819 E C -0.976 175.564 176.600 -0.100 0.000 1.046 819 E CA -0.462 55.885 56.400 -0.088 0.000 0.825 819 E CB 1.183 30.855 29.700 -0.048 0.000 1.243 819 E HN 0.134 nan 8.360 nan 0.000 0.438 820 N N 3.011 121.669 118.700 -0.070 0.000 2.785 820 N HA 0.150 4.765 4.740 -0.208 0.000 0.224 820 N C -1.358 174.120 175.510 -0.052 0.000 1.448 820 N CA -0.201 52.810 53.050 -0.064 0.000 0.748 820 N CB -0.075 38.356 38.487 -0.094 0.000 1.385 820 N HN 0.504 nan 8.380 nan 0.000 0.538 821 N N -0.118 118.564 118.700 -0.030 0.000 3.100 821 N HA 0.198 4.813 4.740 -0.208 0.000 0.344 821 N C 1.070 176.551 175.510 -0.047 0.000 1.413 821 N CA -0.573 52.450 53.050 -0.044 0.000 0.752 821 N CB 0.157 38.626 38.487 -0.031 0.000 1.519 821 N HN 0.077 nan 8.380 nan 0.000 0.620 822 E N -1.027 119.128 120.200 -0.076 0.000 2.333 822 E HA -0.153 4.072 4.350 -0.208 0.000 0.198 822 E C 0.498 177.115 176.600 0.028 0.000 1.007 822 E CA 2.045 58.375 56.400 -0.116 0.000 0.845 822 E CB -0.739 28.879 29.700 -0.136 0.000 0.766 822 E HN 0.807 nan 8.360 nan 0.000 0.507 823 T N -2.319 112.279 114.554 0.073 0.000 2.954 823 T HA 0.354 4.579 4.350 -0.208 0.000 0.252 823 T C 0.404 175.231 174.700 0.213 0.000 0.983 823 T CA -0.337 61.857 62.100 0.156 0.000 0.941 823 T CB 0.277 69.206 68.868 0.102 0.000 1.141 823 T HN 0.073 nan 8.240 nan 0.000 0.500 824 L N 1.261 122.575 121.223 0.152 0.000 2.431 824 L HA 0.632 4.847 4.340 -0.208 0.000 0.266 824 L C -1.938 175.015 176.870 0.139 0.000 0.978 824 L CA -0.530 54.407 54.840 0.163 0.000 0.822 824 L CB 2.413 44.524 42.059 0.086 0.000 1.310 824 L HN 0.145 nan 8.230 nan 0.000 0.409 825 Q N 2.978 122.902 119.800 0.207 0.000 2.263 825 Q HA 0.704 4.919 4.340 -0.208 0.000 0.266 825 Q C -1.571 174.549 176.000 0.200 0.000 1.002 825 Q CA -0.553 55.358 55.803 0.179 0.000 0.790 825 Q CB 2.325 31.253 28.738 0.316 0.000 1.272 825 Q HN 0.636 nan 8.270 nan 0.000 0.435 826 S N 1.659 117.308 115.700 -0.085 0.000 2.537 826 S HA 0.740 5.085 4.470 -0.208 0.000 0.270 826 S C -1.618 172.727 174.600 -0.426 0.000 1.142 826 S CA -0.460 57.665 58.200 -0.124 0.000 0.870 826 S CB 1.692 64.943 63.200 0.085 0.000 1.112 826 S HN 0.302 nan 8.310 nan 0.000 0.466 827 V N 4.231 123.872 119.914 -0.454 0.000 2.789 827 V HA 0.587 4.582 4.120 -0.208 0.000 0.311 827 V C -1.490 174.600 176.094 -0.007 0.000 1.073 827 V CA -0.712 61.356 62.300 -0.386 0.000 0.921 827 V CB 1.897 33.362 31.823 -0.596 0.000 1.009 827 V HN 0.872 nan 8.190 nan 0.000 0.426 828 Y N 2.852 123.046 120.300 -0.175 0.000 2.341 828 Y HA 0.589 5.014 4.550 -0.208 0.000 0.338 828 Y C -0.504 175.248 175.900 -0.247 0.000 0.965 828 Y CA -1.441 56.491 58.100 -0.280 0.000 1.108 828 Y CB 1.756 40.029 38.460 -0.311 0.000 1.180 828 Y HN 0.692 nan 8.280 nan 0.000 0.458 829 D N 5.151 125.128 120.400 -0.706 0.000 2.485 829 D HA 0.339 4.854 4.640 -0.208 0.000 0.221 829 D C 0.735 176.402 176.300 -1.056 0.000 1.112 829 D CA 0.349 53.966 54.000 -0.639 0.000 0.911 829 D CB 1.188 41.810 40.800 -0.297 0.000 1.019 829 D HN 0.824 nan 8.370 nan 0.000 0.516 830 A N 4.506 126.609 122.820 -1.194 0.000 1.908 830 A HA -0.211 3.984 4.320 -0.208 0.000 0.218 830 A C 2.047 179.383 177.584 -0.414 0.000 1.181 830 A CA 1.456 52.948 52.037 -0.909 0.000 0.627 830 A CB -0.263 18.472 19.000 -0.442 0.000 0.818 830 A HN 0.556 nan 8.150 nan 0.000 0.445 831 K N -0.886 119.330 120.400 -0.308 0.000 2.057 831 K HA -0.178 4.017 4.320 -0.208 0.000 0.207 831 K C 2.245 178.751 176.600 -0.157 0.000 1.049 831 K CA 1.759 57.939 56.287 -0.180 0.000 0.931 831 K CB -0.162 32.253 32.500 -0.142 0.000 0.714 831 K HN 0.616 nan 8.250 nan 0.000 0.440 832 Q N -1.265 118.419 119.800 -0.193 0.000 2.269 832 Q HA 0.031 4.246 4.340 -0.208 0.000 0.201 832 Q C 0.488 176.418 176.000 -0.116 0.000 0.946 832 Q CA 0.738 56.464 55.803 -0.128 0.000 0.877 832 Q CB 0.626 29.301 28.738 -0.105 0.000 0.963 832 Q HN 0.618 nan 8.270 nan 0.000 0.472 833 G N 0.848 109.514 108.800 -0.224 0.000 2.212 833 G HA2 -0.207 3.628 3.960 -0.208 0.000 0.255 833 G HA3 -0.207 3.628 3.960 -0.208 0.000 0.255 833 G C -0.349 174.497 174.900 -0.091 0.000 1.062 833 G CA 0.134 45.152 45.100 -0.137 0.000 0.815 833 G HN 0.185 nan 8.290 nan 0.000 0.497 834 V N 0.686 120.484 119.914 -0.192 0.000 2.604 834 V HA 0.745 4.740 4.120 -0.208 0.000 0.305 834 V C 0.008 176.146 176.094 0.073 0.000 1.043 834 V CA -1.043 61.290 62.300 0.056 0.000 0.888 834 V CB 1.783 33.647 31.823 0.067 0.000 0.995 834 V HN 0.323 nan 8.190 nan 0.000 0.429 835 W N 2.032 123.559 121.300 0.379 0.000 2.666 835 W HA 0.705 5.240 4.660 -0.208 0.000 0.334 835 W C 0.254 176.984 176.519 0.351 0.000 1.051 835 W CA -0.787 56.801 57.345 0.406 0.000 1.224 835 W CB 2.515 32.260 29.460 0.475 0.000 1.405 835 W HN 0.728 nan 8.180 nan 0.000 0.513 836 G N 3.115 112.270 108.800 0.592 0.000 2.478 836 G HA2 0.771 4.606 3.960 -0.208 0.000 0.317 836 G HA3 0.771 4.606 3.960 -0.208 0.000 0.317 836 G C -1.411 173.919 174.900 0.718 0.000 1.259 836 G CA -0.549 44.951 45.100 0.665 0.000 0.933 836 G HN 0.364 nan 8.290 nan 0.000 0.478 837 I N 1.306 122.252 120.570 0.626 0.000 2.656 837 I HA 0.428 4.473 4.170 -0.208 0.000 0.292 837 I C -0.792 175.648 176.117 0.538 0.000 1.144 837 I CA -1.151 60.478 61.300 0.548 0.000 1.038 837 I CB 2.752 40.947 38.000 0.326 0.000 1.244 837 I HN 0.153 nan 8.210 nan 0.000 0.420 838 V N 5.028 125.235 119.914 0.488 0.000 2.531 838 V HA 0.451 4.446 4.120 -0.208 0.000 0.301 838 V C -0.400 175.956 176.094 0.436 0.000 1.034 838 V CA -0.750 61.805 62.300 0.425 0.000 0.865 838 V CB 1.967 34.007 31.823 0.362 0.000 0.995 838 V HN 0.620 nan 8.190 nan 0.000 0.424 839 K N 3.178 123.842 120.400 0.440 0.000 2.323 839 K HA 0.480 4.675 4.320 -0.208 0.000 0.259 839 K C -0.686 176.077 176.600 0.272 0.000 0.947 839 K CA -0.619 55.889 56.287 0.368 0.000 0.819 839 K CB 1.969 34.679 32.500 0.349 0.000 1.109 839 K HN 0.611 nan 8.250 nan 0.000 0.429 840 Y N 0.894 121.253 120.300 0.097 0.000 2.457 840 Y HA -0.002 4.423 4.550 -0.208 0.000 0.263 840 Y C 0.201 176.021 175.900 -0.133 0.000 1.164 840 Y CA 0.009 58.034 58.100 -0.125 0.000 1.274 840 Y CB 0.425 38.799 38.460 -0.143 0.000 1.097 840 Y HN 0.670 nan 8.280 nan 0.000 0.523 841 D N -3.494 116.957 120.400 0.084 0.000 2.664 841 D HA 0.130 4.645 4.640 -0.208 0.000 0.292 841 D C -0.588 175.748 176.300 0.059 0.000 1.214 841 D CA -0.685 53.340 54.000 0.041 0.000 0.932 841 D CB 0.402 41.231 40.800 0.048 0.000 1.420 841 D HN -0.266 nan 8.370 nan 0.000 0.471 842 D N -0.275 120.148 120.400 0.038 0.000 2.370 842 D HA 0.110 4.625 4.640 -0.208 0.000 0.230 842 D C 0.223 176.538 176.300 0.025 0.000 1.143 842 D CA 0.086 54.110 54.000 0.040 0.000 0.834 842 D CB -0.158 40.657 40.800 0.025 0.000 0.944 842 D HN 0.422 nan 8.370 nan 0.000 0.504 843 S N -0.825 114.889 115.700 0.024 0.000 2.608 843 S HA 0.230 4.575 4.470 -0.208 0.000 0.261 843 S C 0.475 175.069 174.600 -0.011 0.000 1.314 843 S CA -0.773 57.429 58.200 0.003 0.000 0.992 843 S CB 1.551 64.754 63.200 0.004 0.000 0.935 843 S HN -0.103 nan 8.310 nan 0.000 0.564 844 V N 2.205 122.099 119.914 -0.033 0.000 2.408 844 V HA 0.293 4.288 4.120 -0.208 0.000 0.267 844 V C 0.101 176.148 176.094 -0.079 0.000 1.047 844 V CA -0.263 62.000 62.300 -0.061 0.000 0.937 844 V CB 0.539 32.319 31.823 -0.072 0.000 0.999 844 V HN 0.907 nan 8.190 nan 0.000 0.472 845 S N 3.627 119.267 115.700 -0.100 0.000 2.438 845 S HA 0.393 4.738 4.470 -0.208 0.000 0.316 845 S C 0.243 174.721 174.600 -0.204 0.000 1.084 845 S CA -0.430 57.694 58.200 -0.126 0.000 1.107 845 S CB 1.103 64.240 63.200 -0.105 0.000 0.981 845 S HN 0.787 nan 8.310 nan 0.000 0.466 846 T N 4.910 119.332 114.554 -0.219 0.000 2.771 846 T HA 0.411 4.636 4.350 -0.208 0.000 0.291 846 T C -0.069 174.392 174.700 -0.399 0.000 0.954 846 T CA -0.396 61.520 62.100 -0.307 0.000 1.045 846 T CB 0.172 68.899 68.868 -0.236 0.000 0.917 846 T HN 0.355 nan 8.240 nan 0.000 0.484 847 I N 2.563 122.720 120.570 -0.688 0.000 2.378 847 I HA 0.259 4.304 4.170 -0.208 0.000 0.291 847 I C 0.915 176.553 176.117 -0.798 0.000 0.992 847 I CA -0.573 60.240 61.300 -0.812 0.000 1.154 847 I CB 1.123 38.369 38.000 -1.256 0.000 1.315 847 I HN 0.748 nan 8.210 nan 0.000 0.448 848 S N 4.540 119.992 115.700 -0.413 0.000 3.419 848 S HA -0.289 4.056 4.470 -0.208 0.000 0.350 848 S C 0.960 175.422 174.600 -0.230 0.000 1.128 848 S CA 1.315 59.367 58.200 -0.245 0.000 0.999 848 S CB -1.466 61.657 63.200 -0.129 0.000 0.923 848 S HN 0.943 nan 8.310 nan 0.000 0.522 849 N N -0.427 118.114 118.700 -0.265 0.000 2.708 849 N HA -0.261 4.354 4.740 -0.208 0.000 0.249 849 N C 0.525 175.926 175.510 -0.180 0.000 1.097 849 N CA 1.935 54.868 53.050 -0.195 0.000 0.710 849 N CB -0.713 37.710 38.487 -0.106 0.000 1.032 849 N HN 0.811 nan 8.380 nan 0.000 0.551 850 Q N -1.849 117.767 119.800 -0.306 0.000 2.471 850 Q HA 0.244 4.459 4.340 -0.208 0.000 0.259 850 Q C 0.036 175.910 176.000 -0.209 0.000 0.850 850 Q CA 0.923 56.627 55.803 -0.166 0.000 0.981 850 Q CB 0.682 29.402 28.738 -0.029 0.000 1.180 850 Q HN 0.468 nan 8.270 nan 0.000 0.571 851 F N -1.137 118.523 119.950 -0.483 0.000 2.789 851 F HA 0.583 4.985 4.527 -0.208 0.000 0.319 851 F C -1.723 173.711 175.800 -0.609 0.000 1.168 851 F CA -1.271 56.313 58.000 -0.692 0.000 0.934 851 F CB 1.177 39.532 39.000 -1.074 0.000 1.375 851 F HN -0.348 nan 8.300 nan 0.000 0.480 852 Q N 1.418 120.988 119.800 -0.384 0.000 2.347 852 Q HA 0.691 4.906 4.340 -0.208 0.000 0.271 852 Q C -1.418 174.434 176.000 -0.247 0.000 1.064 852 Q CA -1.378 54.239 55.803 -0.309 0.000 0.800 852 Q CB 3.358 31.929 28.738 -0.279 0.000 1.304 852 Q HN 0.714 nan 8.270 nan 0.000 0.438 853 V N 0.346 120.149 119.914 -0.184 0.000 2.513 853 V HA 0.500 4.495 4.120 -0.208 0.000 0.299 853 V C 0.032 176.053 176.094 -0.121 0.000 1.035 853 V CA -0.648 61.524 62.300 -0.214 0.000 0.889 853 V CB 1.023 32.490 31.823 -0.593 0.000 0.988 853 V HN 0.815 nan 8.190 nan 0.000 0.440 854 L N 0.710 121.924 121.223 -0.015 0.000 2.966 854 L HA 0.557 4.772 4.340 -0.208 0.000 0.262 854 L C 0.411 177.320 176.870 0.066 0.000 1.165 854 L CA 0.013 54.857 54.840 0.006 0.000 0.978 854 L CB 0.027 42.070 42.059 -0.028 0.000 1.337 854 L HN 0.456 nan 8.230 nan 0.000 0.563 855 K N 1.384 121.889 120.400 0.174 0.000 2.318 855 K HA 0.409 4.604 4.320 -0.208 0.000 0.249 855 K C -0.617 176.184 176.600 0.334 0.000 0.942 855 K CA -0.685 55.704 56.287 0.170 0.000 0.808 855 K CB 2.253 34.752 32.500 -0.001 0.000 1.189 855 K HN -0.059 nan 8.250 nan 0.000 0.428 856 R N 0.629 121.267 120.500 0.231 0.000 2.570 856 R HA 0.386 4.601 4.340 -0.208 0.000 0.277 856 R C 0.174 176.695 176.300 0.368 0.000 1.039 856 R CA 1.039 57.274 56.100 0.225 0.000 1.065 856 R CB -0.006 30.318 30.300 0.039 0.000 0.964 856 R HN 0.775 nan 8.270 nan 0.000 0.428 857 G N 1.420 110.481 108.800 0.435 0.000 2.350 857 G HA2 0.144 3.979 3.960 -0.208 0.000 0.282 857 G HA3 0.144 3.979 3.960 -0.208 0.000 0.282 857 G C -1.746 173.218 174.900 0.108 0.000 1.314 857 G CA -0.465 44.760 45.100 0.209 0.000 0.915 857 G HN 0.541 nan 8.290 nan 0.000 0.499 858 V N 0.483 120.261 119.914 -0.227 0.000 2.495 858 V HA 0.750 4.745 4.120 -0.208 0.000 0.298 858 V C -1.054 174.983 176.094 -0.095 0.000 1.031 858 V CA -0.653 61.612 62.300 -0.057 0.000 0.871 858 V CB 1.098 32.851 31.823 -0.117 0.000 0.988 858 V HN 0.658 nan 8.190 nan 0.000 0.432 859 Y N 1.183 121.595 120.300 0.187 0.000 2.499 859 Y HA 0.733 5.158 4.550 -0.208 0.000 0.347 859 Y C 0.325 176.355 175.900 0.216 0.000 0.987 859 Y CA -0.965 57.275 58.100 0.234 0.000 1.044 859 Y CB 2.568 41.205 38.460 0.294 0.000 1.245 859 Y HN 0.520 nan 8.280 nan 0.000 0.461 860 T N 4.043 118.805 114.554 0.346 0.000 3.050 860 T HA 0.603 4.828 4.350 -0.208 0.000 0.310 860 T C -0.831 174.026 174.700 0.262 0.000 0.978 860 T CA -0.394 61.880 62.100 0.290 0.000 1.013 860 T CB 0.278 69.255 68.868 0.182 0.000 1.000 860 T HN 0.377 nan 8.240 nan 0.000 0.447 861 I N 2.644 123.414 120.570 0.333 0.000 2.509 861 I HA 0.624 4.669 4.170 -0.208 0.000 0.293 861 I C -0.007 176.366 176.117 0.427 0.000 1.020 861 I CA -0.950 60.508 61.300 0.265 0.000 1.088 861 I CB 2.200 40.250 38.000 0.083 0.000 1.267 861 I HN 0.344 nan 8.210 nan 0.000 0.430 862 R N 5.591 126.278 120.500 0.311 0.000 2.561 862 R HA 0.482 4.697 4.340 -0.208 0.000 0.297 862 R C -1.240 175.243 176.300 0.304 0.000 0.969 862 R CA -0.831 55.465 56.100 0.325 0.000 0.879 862 R CB 1.737 32.136 30.300 0.165 0.000 1.178 862 R HN 0.581 nan 8.270 nan 0.000 0.445 863 K N 3.183 123.805 120.400 0.369 0.000 2.213 863 K HA 0.188 4.383 4.320 -0.208 0.000 0.270 863 K C -1.124 175.480 176.600 0.005 0.000 1.002 863 K CA -0.358 55.983 56.287 0.089 0.000 0.868 863 K CB 1.337 33.995 32.500 0.263 0.000 1.093 863 K HN 0.640 nan 8.250 nan 0.000 0.454 864 E N 3.259 123.402 120.200 -0.096 0.000 2.437 864 E HA 0.258 4.483 4.350 -0.208 0.000 0.238 864 E C 0.054 176.607 176.600 -0.078 0.000 0.969 864 E CA -0.042 56.327 56.400 -0.051 0.000 0.759 864 E CB 1.325 31.006 29.700 -0.031 0.000 1.283 864 E HN 0.999 nan 8.360 nan 0.000 0.416 865 G N 3.298 112.064 108.800 -0.057 0.000 2.559 865 G HA2 -0.332 3.503 3.960 -0.208 0.000 0.282 865 G HA3 -0.332 3.503 3.960 -0.208 0.000 0.282 865 G C 0.331 175.177 174.900 -0.090 0.000 1.177 865 G CA 0.302 45.375 45.100 -0.046 0.000 0.960 865 G HN 0.559 nan 8.290 nan 0.000 0.540 866 D N 2.602 122.952 120.400 -0.083 0.000 2.398 866 D HA 0.489 5.004 4.640 -0.208 0.000 0.210 866 D C 1.171 177.397 176.300 -0.124 0.000 1.094 866 D CA 1.211 55.163 54.000 -0.081 0.000 0.839 866 D CB 0.322 41.127 40.800 0.008 0.000 0.963 866 D HN 0.992 nan 8.370 nan 0.000 0.506 867 E N 0.456 120.558 120.200 -0.164 0.000 2.242 867 E HA 0.475 4.700 4.350 -0.208 0.000 0.275 867 E C -1.304 175.140 176.600 -0.261 0.000 1.002 867 E CA -0.581 55.753 56.400 -0.111 0.000 0.841 867 E CB 1.017 nan 29.700 nan 0.000 1.109 867 E HN 0.082 nan 8.360 nan 0.000 0.394 868 Y N 1.137 121.401 120.300 -0.061 0.000 2.328 868 Y HA 0.454 4.879 4.550 -0.208 0.000 0.336 868 Y C -0.046 175.704 175.900 -0.250 0.000 0.960 868 Y CA -1.041 56.950 58.100 -0.182 0.000 1.134 868 Y CB 2.376 40.591 38.460 -0.408 0.000 1.166 868 Y HN 0.376 nan 8.280 nan 0.000 0.464 869 K N 3.954 124.343 120.400 -0.018 0.000 2.248 869 K HA 0.499 4.694 4.320 -0.208 0.000 0.281 869 K C -1.177 175.372 176.600 -0.084 0.000 1.054 869 K CA -0.008 56.255 56.287 -0.040 0.000 0.903 869 K CB 0.372 32.879 32.500 0.011 0.000 1.077 869 K HN 0.523 nan 8.250 nan 0.000 0.474 870 I N 2.034 122.526 120.570 -0.129 0.000 2.404 870 I HA 0.494 4.539 4.170 -0.208 0.000 0.293 870 I C -0.480 175.644 176.117 0.011 0.000 0.992 870 I CA -0.726 60.505 61.300 -0.115 0.000 1.149 870 I CB 2.156 40.013 38.000 -0.239 0.000 1.315 870 I HN 0.537 nan 8.210 nan 0.000 0.446 871 A N 6.164 129.032 122.820 0.081 0.000 2.363 871 A HA 0.589 4.784 4.320 -0.208 0.000 0.296 871 A C -1.498 176.164 177.584 0.130 0.000 1.237 871 A CA -0.398 51.692 52.037 0.089 0.000 0.773 871 A CB 0.400 19.438 19.000 0.065 0.000 1.153 871 A HN 0.628 nan 8.150 nan 0.000 0.473 872 Y N 2.367 122.648 120.300 -0.031 0.000 2.393 872 Y HA 0.681 5.107 4.550 -0.208 0.000 0.341 872 Y C -1.722 174.151 175.900 -0.044 0.000 0.988 872 Y CA -1.356 56.645 58.100 -0.165 0.000 1.078 872 Y CB 1.563 39.876 38.460 -0.245 0.000 1.203 872 Y HN 0.628 nan 8.280 nan 0.000 0.453 873 Y N 5.984 125.570 120.300 -1.191 0.000 2.396 873 Y HA 0.338 4.763 4.550 -0.208 0.000 0.332 873 Y C -1.365 173.897 175.900 -1.062 0.000 1.034 873 Y CA -1.303 56.246 58.100 -0.917 0.000 1.057 873 Y CB 1.446 39.635 38.460 -0.452 0.000 1.220 873 Y HN 0.794 nan 8.280 nan 0.000 0.440 874 N N 8.219 126.169 118.700 -1.249 0.000 2.500 874 N HA 0.267 4.882 4.740 -0.208 0.000 0.236 874 N C -1.984 172.928 175.510 -0.996 0.000 1.022 874 N CA -2.108 50.470 53.050 -0.786 0.000 0.935 874 N CB 1.314 39.605 38.487 -0.326 0.000 1.147 874 N HN 0.370 nan 8.380 nan 0.000 0.512 875 P HA -0.153 nan 4.420 nan 0.000 0.219 875 P C 0.400 177.522 177.300 -0.297 0.000 1.146 875 P CA 1.267 64.005 63.100 -0.604 0.000 0.808 875 P CB 0.415 31.826 31.700 -0.483 0.000 0.779 876 E N -0.252 119.857 120.200 -0.152 0.000 2.046 876 E HA -0.095 4.131 4.350 -0.208 0.000 0.190 876 E C 1.989 178.548 176.600 -0.068 0.000 0.982 876 E CA 1.964 58.345 56.400 -0.032 0.000 0.800 876 E CB -0.461 29.273 29.700 0.057 0.000 0.756 876 E HN 0.353 nan 8.360 nan 0.000 0.449 877 T N -2.052 112.435 114.554 -0.110 0.000 3.081 877 T HA -0.001 4.224 4.350 -0.208 0.000 0.255 877 T C 0.515 175.152 174.700 -0.105 0.000 1.113 877 T CA 0.006 62.059 62.100 -0.079 0.000 1.082 877 T CB 0.109 68.944 68.868 -0.055 0.000 0.939 877 T HN 0.092 nan 8.240 nan 0.000 0.506 878 Q N 0.677 120.338 119.800 -0.232 0.000 2.478 878 Q HA -0.148 4.067 4.340 -0.208 0.000 0.286 878 Q C -0.805 175.153 176.000 -0.069 0.000 1.299 878 Q CA 0.731 56.435 55.803 -0.165 0.000 0.826 878 Q CB -1.686 27.075 28.738 0.037 0.000 1.199 878 Q HN 0.760 nan 8.270 nan 0.000 0.451 879 E N -0.686 119.383 120.200 -0.218 0.000 2.383 879 E HA 0.554 4.779 4.350 -0.208 0.000 0.275 879 E C -0.658 175.903 176.600 -0.065 0.000 0.918 879 E CA -0.362 56.010 56.400 -0.048 0.000 0.764 879 E CB 2.208 31.904 29.700 -0.007 0.000 1.252 879 E HN 0.099 nan 8.360 nan 0.000 0.449 880 S N 0.270 116.019 115.700 0.082 0.000 2.495 880 S HA 0.872 5.217 4.470 -0.208 0.000 0.273 880 S C -0.927 173.831 174.600 0.264 0.000 1.156 880 S CA 0.242 58.545 58.200 0.171 0.000 1.032 880 S CB 0.958 64.261 63.200 0.172 0.000 1.160 880 S HN 0.595 nan 8.310 nan 0.000 0.489 881 A N 0.694 123.686 122.820 0.287 0.000 2.599 881 A HA 0.665 4.860 4.320 -0.208 0.000 0.294 881 A C -3.137 174.485 177.584 0.064 0.000 1.055 881 A CA -1.198 50.920 52.037 0.136 0.000 0.683 881 A CB 0.134 19.172 19.000 0.065 0.000 1.278 881 A HN 0.563 nan 8.150 nan 0.000 0.412 882 P HA 0.122 nan 4.420 nan 0.000 0.265 882 P C 0.012 177.318 177.300 0.011 0.000 1.187 882 P CA 0.143 63.259 63.100 0.026 0.000 0.766 882 P CB 0.549 32.261 31.700 0.020 0.000 0.820 883 D N 2.064 122.479 120.400 0.026 0.000 2.133 883 D HA -0.221 4.294 4.640 -0.208 0.000 0.192 883 D C 1.811 178.154 176.300 0.072 0.000 1.001 883 D CA 1.406 55.431 54.000 0.042 0.000 0.844 883 D CB -0.395 40.424 40.800 0.032 0.000 0.944 883 D HN 0.565 nan 8.370 nan 0.000 0.447 884 Q N 1.194 121.028 119.800 0.056 0.000 2.368 884 Q HA -0.187 4.028 4.340 -0.208 0.000 0.210 884 Q C 1.446 177.455 176.000 0.016 0.000 0.982 884 Q CA 1.276 57.107 55.803 0.048 0.000 0.884 884 Q CB -0.315 28.443 28.738 0.032 0.000 0.933 884 Q HN 0.413 nan 8.270 nan 0.000 0.460 885 E N 0.230 120.426 120.200 -0.007 0.000 2.170 885 E HA -0.062 4.163 4.350 -0.208 0.000 0.191 885 E C 1.874 178.432 176.600 -0.070 0.000 0.981 885 E CA 1.200 57.576 56.400 -0.041 0.000 0.830 885 E CB 0.510 30.177 29.700 -0.056 0.000 0.775 885 E HN 0.401 nan 8.360 nan 0.000 0.470 886 V N -2.298 117.570 119.914 -0.078 0.000 3.635 886 V HA 0.304 4.299 4.120 -0.208 0.000 0.266 886 V C 0.045 176.227 176.094 0.146 0.000 1.316 886 V CA -0.344 61.926 62.300 -0.051 0.000 1.060 886 V CB 0.145 31.742 31.823 -0.377 0.000 0.820 886 V HN 0.026 nan 8.190 nan 0.000 0.447 887 F N 1.148 121.068 119.950 -0.049 0.000 2.551 887 F HA 0.811 5.213 4.527 -0.208 0.000 0.316 887 F C -0.528 175.218 175.800 -0.090 0.000 1.089 887 F CA -0.740 57.209 58.000 -0.085 0.000 0.915 887 F CB 1.739 40.665 39.000 -0.123 0.000 1.186 887 F HN -0.162 nan 8.300 nan 0.000 0.456 888 K N 5.211 125.108 120.400 -0.837 0.000 2.502 888 K HA 0.433 4.628 4.320 -0.208 0.000 0.257 888 K C -1.185 174.963 176.600 -0.753 0.000 0.938 888 K CA -0.591 55.363 56.287 -0.555 0.000 0.819 888 K CB 2.360 34.681 32.500 -0.299 0.000 1.333 888 K HN 0.883 nan 8.250 nan 0.000 0.434 889 K N 0.000 120.187 120.400 -0.355 0.000 2.780 889 K HA 0.000 4.195 4.320 -0.208 0.000 0.191 889 K CA 0.000 56.162 56.287 -0.209 0.000 0.838 889 K CB 0.000 32.358 32.500 -0.237 0.000 1.064 889 K HN 0.000 nan 8.250 nan 0.000 0.543