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 1a35_1_A DATA FIRST_RESID 215 DATA SEQUENCE IKWKFLEHKG PVFAPPYEPL PENVKFYYDG KVMKLSPKAE EVATFFAKML DATA SEQUENCE DHEYTTKEIF RKNFFKDWRK EMTNEEKNII TNLSKCDFTQ MSQYFKAQTE DATA SEQUENCE ARKQMSKEEK LKIKEENEKL LKEYGFCIMD NHKERIANFK IEPPGLFRGR DATA SEQUENCE GNHPKMGMLK RRIMPEDIII NCSKDAKVPS PPPGHKWKEV RHDNKVTWLV DATA SEQUENCE SWTENIQGSI KYIMLNPSSR IKGEKDWQKY ETARRLKKCV DKIRNQYRED DATA SEQUENCE WKSKEMKVRQ RAVALYFIDK LALRAGNEKE EGETADTVGC CSLRVEHINL DATA SEQUENCE HPELDGQEYV VEFDFLGKDS IRYYNKVPVE KRVFKNLQLF MENKQPEDDL DATA SEQUENCE FDRLNTGILN KHLQDLMEGL TAKVFRTYNA SITLQQQLKE LTAPDENIPA DATA SEQUENCE KILSYNRANR AVAILCNHQR AXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXQI DATA SEQUENCE ALGTSKLNFL DPRITVAWCK KWGVPIEKIY NKTQREKFAW AIDMADEDYE DATA SEQUENCE F 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 215 I HA 0.000 nan 4.170 nan 0.000 0.288 215 I C 0.000 175.980 176.117 -0.229 0.000 1.063 215 I CA 0.000 61.154 61.300 -0.242 0.000 1.566 215 I CB 0.000 37.872 38.000 -0.213 0.000 1.214 216 K N 3.339 123.516 120.400 -0.372 0.000 2.425 216 K HA 0.255 3.537 4.320 -1.730 0.000 0.201 216 K C -0.737 175.830 176.600 -0.056 0.000 1.128 216 K CA 0.516 56.667 56.287 -0.226 0.000 1.000 216 K CB 1.545 33.919 32.500 -0.209 0.000 0.961 216 K HN 0.679 nan 8.250 nan 0.000 0.555 217 W N -0.628 120.657 121.300 -0.025 0.000 3.173 217 W HA 0.393 4.014 4.660 -1.731 0.000 0.313 217 W C -0.261 176.263 176.519 0.008 0.000 1.228 217 W CA -0.623 56.720 57.345 -0.003 0.000 1.185 217 W CB 0.172 29.623 29.460 -0.015 0.000 1.390 217 W HN -0.419 nan 8.180 nan 0.000 0.568 218 K N 0.672 121.366 120.400 0.490 0.000 2.313 218 K HA 0.153 3.435 4.320 -1.730 0.000 0.197 218 K C -0.256 176.705 176.600 0.601 0.000 1.061 218 K CA 0.443 56.976 56.287 0.411 0.000 0.980 218 K CB 0.843 33.478 32.500 0.226 0.000 0.888 218 K HN 0.322 nan 8.250 nan 0.000 0.502 219 F N 0.643 120.795 119.950 0.337 0.000 2.565 219 F HA 0.534 4.023 4.527 -1.730 0.000 0.313 219 F C -1.698 173.983 175.800 -0.198 0.000 1.091 219 F CA -1.548 56.504 58.000 0.085 0.000 0.915 219 F CB 1.458 40.472 39.000 0.023 0.000 1.208 219 F HN -0.213 nan 8.300 nan 0.000 0.453 220 L N 4.853 125.206 121.223 -1.451 0.000 2.614 220 L HA 0.493 3.796 4.340 -1.730 0.000 0.264 220 L C -1.737 174.484 176.870 -1.082 0.000 0.940 220 L CA -0.009 54.085 54.840 -1.243 0.000 0.903 220 L CB 1.865 42.947 42.059 -1.627 0.000 1.306 220 L HN 0.768 nan 8.230 nan 0.000 0.410 221 E N 2.752 122.540 120.200 -0.685 0.000 2.314 221 E HA 0.715 4.027 4.350 -1.730 0.000 0.272 221 E C -1.732 174.821 176.600 -0.078 0.000 0.884 221 E CA -0.563 55.609 56.400 -0.380 0.000 0.753 221 E CB 1.686 31.262 29.700 -0.207 0.000 1.213 221 E HN 0.841 nan 8.360 nan 0.000 0.432 222 H N 0.535 119.525 119.070 -0.133 0.000 2.932 222 H HA 0.391 3.909 4.556 -1.729 0.000 0.307 222 H C -0.573 174.751 175.328 -0.006 0.000 1.391 222 H CA -0.903 55.109 56.048 -0.060 0.000 1.130 222 H CB 0.619 30.340 29.762 -0.070 0.000 1.836 222 H HN 0.153 nan 8.280 nan 0.000 0.522 223 K N 0.757 121.272 120.400 0.191 0.000 2.426 223 K HA 0.286 3.568 4.320 -1.730 0.000 0.193 223 K C 0.729 177.554 176.600 0.375 0.000 1.028 223 K CA 0.736 57.145 56.287 0.203 0.000 1.047 223 K CB 0.242 32.797 32.500 0.092 0.000 0.821 223 K HN 0.979 nan 8.250 nan 0.000 0.513 224 G N 2.977 112.059 108.800 0.469 0.000 2.796 224 G HA2 -0.192 2.730 3.960 -1.730 0.000 0.571 224 G HA3 -0.192 2.730 3.960 -1.730 0.000 0.571 224 G C -2.800 172.258 174.900 0.263 0.000 1.370 224 G CA -0.824 44.466 45.100 0.317 0.000 0.856 224 G HN 0.005 nan 8.290 nan 0.000 0.538 225 P HA 0.461 nan 4.420 nan 0.000 0.272 225 P C -0.197 176.992 177.300 -0.185 0.000 1.230 225 P CA -0.223 62.819 63.100 -0.095 0.000 0.788 225 P CB 1.230 32.703 31.700 -0.378 0.000 0.949 226 V N 2.774 122.541 119.914 -0.245 0.000 2.370 226 V HA 0.242 3.324 4.120 -1.730 0.000 0.283 226 V C 0.354 176.264 176.094 -0.306 0.000 1.023 226 V CA -0.396 61.748 62.300 -0.261 0.000 0.857 226 V CB 0.029 31.758 31.823 -0.157 0.000 0.985 226 V HN 0.347 nan 8.190 nan 0.000 0.443 227 F N 2.671 122.544 119.950 -0.128 0.000 2.410 227 F HA 0.559 4.048 4.527 -1.729 0.000 0.334 227 F C 1.089 176.824 175.800 -0.108 0.000 1.134 227 F CA -0.029 57.893 58.000 -0.130 0.000 1.227 227 F CB 0.684 39.608 39.000 -0.126 0.000 1.194 227 F HN 0.581 nan 8.300 nan 0.000 0.571 228 A N 3.258 126.111 122.820 0.055 0.000 2.483 228 A HA 0.343 3.625 4.320 -1.730 0.000 0.238 228 A C -2.243 175.378 177.584 0.062 0.000 1.070 228 A CA -1.124 50.928 52.037 0.024 0.000 0.770 228 A CB -0.788 18.216 19.000 0.007 0.000 1.008 228 A HN 0.507 nan 8.150 nan 0.000 0.497 229 P HA 0.290 nan 4.420 nan 0.000 0.269 229 P C -2.396 174.954 177.300 0.082 0.000 1.209 229 P CA -0.560 62.577 63.100 0.061 0.000 0.776 229 P CB -0.159 31.575 31.700 0.057 0.000 0.876 230 P HA 0.081 nan 4.420 nan 0.000 0.274 230 P C -0.909 176.472 177.300 0.135 0.000 1.231 230 P CA -0.310 62.849 63.100 0.097 0.000 0.790 230 P CB 0.198 31.936 31.700 0.064 0.000 0.951 231 Y N 1.842 122.171 120.300 0.048 0.000 2.620 231 Y HA 0.053 3.565 4.550 -1.730 0.000 0.330 231 Y C 0.231 176.164 175.900 0.055 0.000 1.186 231 Y CA 0.411 58.543 58.100 0.052 0.000 1.467 231 Y CB 0.270 38.746 38.460 0.026 0.000 1.262 231 Y HN 0.271 nan 8.280 nan 0.000 0.550 232 E N 8.530 128.362 120.200 -0.612 0.000 2.113 232 E HA 0.285 3.598 4.350 -1.730 0.000 0.273 232 E C -2.409 173.624 176.600 -0.944 0.000 0.924 232 E CA -2.157 53.917 56.400 -0.544 0.000 0.764 232 E CB 1.092 30.679 29.700 -0.188 0.000 1.104 232 E HN 0.585 nan 8.360 nan 0.000 0.406 233 P HA -0.015 nan 4.420 nan 0.000 0.266 233 P C 0.117 177.315 177.300 -0.170 0.000 1.193 233 P CA 0.094 62.980 63.100 -0.356 0.000 0.770 233 P CB 0.586 32.231 31.700 -0.092 0.000 0.836 234 L N 4.210 125.408 121.223 -0.042 0.000 2.467 234 L HA 0.188 3.491 4.340 -1.730 0.000 0.270 234 L C -1.748 175.026 176.870 -0.160 0.000 1.205 234 L CA -1.593 53.173 54.840 -0.122 0.000 0.828 234 L CB -0.131 41.888 42.059 -0.067 0.000 1.101 234 L HN 0.284 nan 8.230 nan 0.000 0.479 235 P HA 0.036 nan 4.420 nan 0.000 0.272 235 P C 0.113 177.335 177.300 -0.131 0.000 1.223 235 P CA -0.353 62.630 63.100 -0.195 0.000 0.784 235 P CB 0.551 32.084 31.700 -0.279 0.000 0.923 236 E N 1.509 121.666 120.200 -0.072 0.000 2.204 236 E HA -0.151 3.161 4.350 -1.730 0.000 0.194 236 E C 1.383 177.959 176.600 -0.039 0.000 0.989 236 E CA 1.053 57.428 56.400 -0.042 0.000 0.824 236 E CB -0.529 29.157 29.700 -0.023 0.000 0.756 236 E HN 0.551 nan 8.360 nan 0.000 0.477 237 N N 0.767 119.437 118.700 -0.049 0.000 2.331 237 N HA -0.077 3.625 4.740 -1.730 0.000 0.180 237 N C 0.633 176.124 175.510 -0.032 0.000 1.019 237 N CA 0.326 53.359 53.050 -0.028 0.000 0.881 237 N CB -0.065 38.413 38.487 -0.015 0.000 0.972 237 N HN -0.083 nan 8.380 nan 0.000 0.435 238 V N 1.990 121.844 119.914 -0.100 0.000 2.389 238 V HA 0.172 3.254 4.120 -1.730 0.000 0.264 238 V C 0.335 176.428 176.094 -0.002 0.000 1.049 238 V CA -0.257 61.987 62.300 -0.094 0.000 0.932 238 V CB 0.461 32.094 31.823 -0.316 0.000 1.011 238 V HN 0.162 nan 8.190 nan 0.000 0.475 239 K N 3.982 124.440 120.400 0.096 0.000 2.238 239 K HA 0.616 3.898 4.320 -1.730 0.000 0.239 239 K C -1.071 175.673 176.600 0.239 0.000 0.987 239 K CA -0.742 55.607 56.287 0.103 0.000 0.857 239 K CB 2.577 35.054 32.500 -0.038 0.000 1.154 239 K HN 0.480 nan 8.250 nan 0.000 0.439 240 F N 1.703 121.646 119.950 -0.013 0.000 2.458 240 F HA 0.404 3.893 4.527 -1.730 0.000 0.336 240 F C -1.422 174.330 175.800 -0.080 0.000 1.114 240 F CA -0.666 57.392 58.000 0.096 0.000 0.987 240 F CB 0.774 39.860 39.000 0.144 0.000 1.130 240 F HN 0.331 nan 8.300 nan 0.000 0.458 241 Y N 5.718 125.575 120.300 -0.738 0.000 2.377 241 Y HA 0.432 3.944 4.550 -1.730 0.000 0.339 241 Y C -1.287 174.121 175.900 -0.819 0.000 1.011 241 Y CA -1.113 56.642 58.100 -0.576 0.000 1.093 241 Y CB 1.335 39.610 38.460 -0.309 0.000 1.201 241 Y HN 0.560 nan 8.280 nan 0.000 0.455 242 Y N 2.693 122.764 120.300 -0.382 0.000 2.326 242 Y HA 0.363 3.876 4.550 -1.730 0.000 0.329 242 Y C -0.085 175.779 175.900 -0.060 0.000 0.973 242 Y CA -1.636 56.339 58.100 -0.208 0.000 1.162 242 Y CB 1.133 39.593 38.460 0.000 0.000 1.147 242 Y HN 0.777 nan 8.280 nan 0.000 0.456 243 D N 4.581 124.528 120.400 -0.755 0.000 2.689 243 D HA -0.184 3.418 4.640 -1.730 0.000 0.237 243 D C 1.152 177.336 176.300 -0.193 0.000 1.148 243 D CA 2.314 56.016 54.000 -0.496 0.000 0.656 243 D CB -1.036 39.455 40.800 -0.516 0.000 1.050 243 D HN 1.319 nan 8.370 nan 0.000 0.426 244 G N -0.827 107.900 108.800 -0.121 0.000 2.267 244 G HA2 -0.386 2.536 3.960 -1.730 0.000 0.257 244 G HA3 -0.386 2.536 3.960 -1.730 0.000 0.257 244 G C 0.568 175.523 174.900 0.091 0.000 0.998 244 G CA 0.732 45.830 45.100 -0.005 0.000 0.620 244 G HN 0.605 nan 8.290 nan 0.000 0.529 245 K N 0.346 120.768 120.400 0.038 0.000 2.098 245 K HA 0.601 3.884 4.320 -1.730 0.000 0.261 245 K C 0.627 177.172 176.600 -0.092 0.000 0.987 245 K CA -0.591 55.708 56.287 0.020 0.000 0.916 245 K CB 1.859 34.378 32.500 0.032 0.000 1.039 245 K HN 0.046 nan 8.250 nan 0.000 0.455 246 V N 2.625 122.414 119.914 -0.210 0.000 2.953 246 V HA 0.295 3.377 4.120 -1.730 0.000 0.304 246 V C 0.005 176.030 176.094 -0.115 0.000 1.073 246 V CA -0.295 61.756 62.300 -0.415 0.000 1.064 246 V CB 1.136 32.721 31.823 -0.396 0.000 1.047 246 V HN 0.783 nan 8.190 nan 0.000 0.478 247 M N 3.098 122.695 119.600 -0.004 0.000 2.221 247 M HA 0.373 3.815 4.480 -1.730 0.000 0.259 247 M C -1.026 175.371 176.300 0.161 0.000 1.001 247 M CA -0.428 54.966 55.300 0.156 0.000 1.009 247 M CB 1.303 34.128 32.600 0.375 0.000 1.939 247 M HN 0.526 nan 8.290 nan 0.000 0.477 248 K N 5.628 126.069 120.400 0.068 0.000 2.167 248 K HA 0.327 3.609 4.320 -1.730 0.000 0.275 248 K C -0.796 175.826 176.600 0.036 0.000 1.103 248 K CA -0.053 56.264 56.287 0.049 0.000 0.963 248 K CB -0.220 32.292 32.500 0.020 0.000 1.243 248 K HN 0.642 nan 8.250 nan 0.000 0.407 249 L N 2.447 123.691 121.223 0.034 0.000 2.456 249 L HA -0.005 3.297 4.340 -1.730 0.000 0.272 249 L C 0.958 177.821 176.870 -0.010 0.000 1.189 249 L CA -0.247 54.580 54.840 -0.021 0.000 0.846 249 L CB 0.387 42.408 42.059 -0.064 0.000 1.111 249 L HN 0.643 nan 8.230 nan 0.000 0.475 250 S N 3.061 118.737 115.700 -0.040 0.000 2.559 250 S HA 0.035 3.467 4.470 -1.730 0.000 0.282 250 S C -1.369 173.221 174.600 -0.015 0.000 1.336 250 S CA -1.014 57.166 58.200 -0.032 0.000 1.037 250 S CB 0.275 63.438 63.200 -0.062 0.000 0.853 250 S HN 0.567 nan 8.310 nan 0.000 0.523 251 P HA -0.193 nan 4.420 nan 0.000 0.216 251 P C 1.172 178.413 177.300 -0.099 0.000 1.150 251 P CA 1.482 64.601 63.100 0.031 0.000 0.843 251 P CB 0.101 31.847 31.700 0.076 0.000 0.787 252 K N 0.443 120.785 120.400 -0.096 0.000 2.103 252 K HA 0.049 3.331 4.320 -1.730 0.000 0.204 252 K C 2.121 178.651 176.600 -0.115 0.000 1.052 252 K CA 1.382 57.586 56.287 -0.139 0.000 0.945 252 K CB -1.032 31.414 32.500 -0.089 0.000 0.722 252 K HN -0.015 nan 8.250 nan 0.000 0.443 253 A N 0.262 123.054 122.820 -0.047 0.000 2.016 253 A HA -0.043 3.239 4.320 -1.730 0.000 0.217 253 A C 2.038 179.740 177.584 0.197 0.000 1.162 253 A CA 1.247 53.353 52.037 0.115 0.000 0.662 253 A CB -0.405 18.559 19.000 -0.059 0.000 0.812 253 A HN 0.517 nan 8.150 nan 0.000 0.450 254 E N -0.026 120.178 120.200 0.007 0.000 2.072 254 E HA -0.203 3.110 4.350 -1.730 0.000 0.190 254 E C 1.937 178.442 176.600 -0.157 0.000 0.982 254 E CA 1.108 57.513 56.400 0.007 0.000 0.803 254 E CB -0.121 29.623 29.700 0.073 0.000 0.755 254 E HN 0.739 nan 8.360 nan 0.000 0.453 255 E N -0.013 119.892 120.200 -0.492 0.000 2.031 255 E HA -0.182 3.130 4.350 -1.730 0.000 0.193 255 E C 2.108 178.163 176.600 -0.909 0.000 0.994 255 E CA 1.598 57.415 56.400 -0.972 0.000 0.800 255 E CB 0.103 29.047 29.700 -1.260 0.000 0.752 255 E HN 0.151 nan 8.360 nan 0.000 0.447 256 V N 1.419 120.978 119.914 -0.591 0.000 2.332 256 V HA -0.302 2.780 4.120 -1.730 0.000 0.248 256 V C 2.494 178.382 176.094 -0.343 0.000 1.055 256 V CA 1.865 63.910 62.300 -0.424 0.000 1.038 256 V CB -0.945 30.834 31.823 -0.074 0.000 0.651 256 V HN 0.458 nan 8.190 nan 0.000 0.450 257 A N 0.854 123.433 122.820 -0.402 0.000 1.940 257 A HA -0.257 3.025 4.320 -1.730 0.000 0.219 257 A C 2.529 180.017 177.584 -0.159 0.000 1.176 257 A CA 2.645 54.445 52.037 -0.394 0.000 0.631 257 A CB -1.015 17.921 19.000 -0.107 0.000 0.814 257 A HN 0.672 nan 8.150 nan 0.000 0.446 258 T N -3.161 111.337 114.554 -0.093 0.000 2.821 258 T HA -0.131 3.181 4.350 -1.730 0.000 0.267 258 T C 1.602 176.276 174.700 -0.043 0.000 1.046 258 T CA 1.420 63.545 62.100 0.043 0.000 1.139 258 T CB -0.585 68.353 68.868 0.117 0.000 0.871 258 T HN 0.196 nan 8.240 nan 0.000 0.454 259 F N 0.940 120.839 119.950 -0.085 0.000 2.095 259 F HA 0.116 3.605 4.527 -1.729 0.000 0.298 259 F C 2.121 177.843 175.800 -0.130 0.000 1.104 259 F CA -0.077 57.863 58.000 -0.101 0.000 1.232 259 F CB -1.467 37.519 39.000 -0.023 0.000 0.987 259 F HN 0.162 nan 8.300 nan 0.000 0.475 260 F N 0.476 120.316 119.950 -0.183 0.000 2.146 260 F HA -0.080 3.410 4.527 -1.729 0.000 0.298 260 F C 2.382 177.934 175.800 -0.414 0.000 1.096 260 F CA 1.193 58.872 58.000 -0.534 0.000 1.275 260 F CB -0.776 37.416 39.000 -1.346 0.000 1.008 260 F HN -0.071 nan 8.300 nan 0.000 0.480 261 A N 0.205 122.901 122.820 -0.207 0.000 1.883 261 A HA -0.249 3.033 4.320 -1.730 0.000 0.217 261 A C 2.132 179.714 177.584 -0.005 0.000 1.186 261 A CA 1.920 53.949 52.037 -0.013 0.000 0.624 261 A CB -0.774 18.417 19.000 0.318 0.000 0.822 261 A HN 0.436 nan 8.150 nan 0.000 0.444 262 K N -1.019 119.341 120.400 -0.068 0.000 2.574 262 K HA 0.066 3.348 4.320 -1.730 0.000 0.193 262 K C 0.973 177.502 176.600 -0.118 0.000 1.035 262 K CA 0.896 57.123 56.287 -0.100 0.000 0.982 262 K CB -0.163 32.186 32.500 -0.251 0.000 0.795 262 K HN 0.552 nan 8.250 nan 0.000 0.491 263 M N -0.096 119.377 119.600 -0.211 0.000 2.306 263 M HA 0.125 3.567 4.480 -1.730 0.000 0.292 263 M C 0.968 177.089 176.300 -0.298 0.000 1.018 263 M CA 0.027 55.172 55.300 -0.258 0.000 1.007 263 M CB 0.565 32.952 32.600 -0.355 0.000 1.510 263 M HN 0.041 nan 8.290 nan 0.000 0.537 264 L N 1.316 122.369 121.223 -0.284 0.000 2.450 264 L HA -0.172 3.130 4.340 -1.730 0.000 0.224 264 L C 1.324 178.131 176.870 -0.106 0.000 1.149 264 L CA 1.058 55.762 54.840 -0.226 0.000 0.816 264 L CB -0.584 41.419 42.059 -0.093 0.000 0.932 264 L HN 0.451 nan 8.230 nan 0.000 0.449 265 D N -2.938 117.425 120.400 -0.062 0.000 2.342 265 D HA -0.039 3.563 4.640 -1.730 0.000 0.221 265 D C 0.667 176.946 176.300 -0.035 0.000 1.101 265 D CA -0.041 53.938 54.000 -0.035 0.000 0.837 265 D CB -0.079 40.715 40.800 -0.010 0.000 0.938 265 D HN 0.150 nan 8.370 nan 0.000 0.508 266 H N -0.145 118.827 119.070 -0.162 0.000 2.524 266 H HA 0.387 3.905 4.556 -1.730 0.000 0.353 266 H C 1.150 176.347 175.328 -0.218 0.000 1.136 266 H CA 0.482 56.430 56.048 -0.167 0.000 1.193 266 H CB 2.016 31.694 29.762 -0.142 0.000 1.558 266 H HN 0.053 nan 8.280 nan 0.000 0.515 267 E N 3.435 123.473 120.200 -0.271 0.000 2.233 267 E HA -0.243 3.069 4.350 -1.730 0.000 0.199 267 E C 1.218 177.697 176.600 -0.201 0.000 1.004 267 E CA 1.739 57.999 56.400 -0.234 0.000 0.819 267 E CB -0.734 28.752 29.700 -0.356 0.000 0.738 267 E HN 0.691 nan 8.360 nan 0.000 0.478 268 Y N 1.546 121.794 120.300 -0.086 0.000 2.165 268 Y HA -0.166 3.346 4.550 -1.730 0.000 0.286 268 Y C 3.131 178.532 175.900 -0.831 0.000 1.155 268 Y CA 2.233 59.956 58.100 -0.629 0.000 1.164 268 Y CB -0.619 37.145 38.460 -1.159 0.000 0.978 268 Y HN 0.464 nan 8.280 nan 0.000 0.513 269 T N -3.836 110.432 114.554 -0.476 0.000 3.163 269 T HA -0.091 3.221 4.350 -1.730 0.000 0.260 269 T C 1.575 176.263 174.700 -0.020 0.000 1.156 269 T CA 1.171 63.095 62.100 -0.294 0.000 1.072 269 T CB -0.695 67.877 68.868 -0.493 0.000 0.937 269 T HN 0.472 nan 8.240 nan 0.000 0.528 270 T N -1.508 113.020 114.554 -0.043 0.000 3.037 270 T HA 0.247 3.559 4.350 -1.730 0.000 0.251 270 T C 0.631 175.372 174.700 0.069 0.000 1.079 270 T CA -0.428 61.684 62.100 0.020 0.000 1.067 270 T CB -0.209 68.644 68.868 -0.026 0.000 0.948 270 T HN 0.329 nan 8.240 nan 0.000 0.496 271 K N 1.980 122.430 120.400 0.083 0.000 2.322 271 K HA 0.200 3.483 4.320 -1.730 0.000 0.283 271 K C 0.702 177.445 176.600 0.238 0.000 1.042 271 K CA -0.426 55.949 56.287 0.147 0.000 0.958 271 K CB 0.938 33.541 32.500 0.172 0.000 0.984 271 K HN 0.053 nan 8.250 nan 0.000 0.473 272 E N 2.083 122.400 120.200 0.195 0.000 2.274 272 E HA -0.119 3.193 4.350 -1.730 0.000 0.194 272 E C 1.649 178.394 176.600 0.241 0.000 0.996 272 E CA 0.831 57.353 56.400 0.204 0.000 0.840 272 E CB 0.090 29.877 29.700 0.145 0.000 0.772 272 E HN 0.531 nan 8.360 nan 0.000 0.491 273 I N 0.009 120.734 120.570 0.259 0.000 2.286 273 I HA -0.173 2.959 4.170 -1.730 0.000 0.245 273 I C 2.235 178.549 176.117 0.328 0.000 1.104 273 I CA 0.696 62.154 61.300 0.264 0.000 1.397 273 I CB -1.208 36.946 38.000 0.257 0.000 1.072 273 I HN 0.008 nan 8.210 nan 0.000 0.417 274 F N 2.503 122.605 119.950 0.253 0.000 2.075 274 F HA -0.195 3.295 4.527 -1.730 0.000 0.297 274 F C 2.799 178.823 175.800 0.372 0.000 1.113 274 F CA 1.676 59.856 58.000 0.299 0.000 1.218 274 F CB -0.212 38.976 39.000 0.313 0.000 0.984 274 F HN -0.073 nan 8.300 nan 0.000 0.472 275 R N 0.333 121.202 120.500 0.616 0.000 2.091 275 R HA -0.169 3.133 4.340 -1.730 0.000 0.238 275 R C 2.482 179.048 176.300 0.444 0.000 1.136 275 R CA 2.050 58.478 56.100 0.548 0.000 0.959 275 R CB -0.883 29.675 30.300 0.429 0.000 0.856 275 R HN 0.315 nan 8.270 nan 0.000 0.437 276 K N 1.106 121.703 120.400 0.329 0.000 2.062 276 K HA -0.079 3.203 4.320 -1.730 0.000 0.205 276 K C 1.732 178.475 176.600 0.239 0.000 1.051 276 K CA 1.573 58.025 56.287 0.275 0.000 0.941 276 K CB -0.774 31.848 32.500 0.203 0.000 0.719 276 K HN 0.131 nan 8.250 nan 0.000 0.440 277 N N -0.343 118.471 118.700 0.189 0.000 2.106 277 N HA -0.047 3.655 4.740 -1.730 0.000 0.188 277 N C 1.553 177.096 175.510 0.056 0.000 1.029 277 N CA 1.423 54.530 53.050 0.095 0.000 0.848 277 N CB -0.421 38.098 38.487 0.052 0.000 1.007 277 N HN 0.515 nan 8.380 nan 0.000 0.423 278 F N 0.682 120.610 119.950 -0.036 0.000 2.075 278 F HA -0.157 3.333 4.527 -1.730 0.000 0.297 278 F C 2.200 178.054 175.800 0.090 0.000 1.113 278 F CA 1.112 59.078 58.000 -0.057 0.000 1.218 278 F CB -0.713 38.227 39.000 -0.101 0.000 0.984 278 F HN -0.040 nan 8.300 nan 0.000 0.472 279 F N 1.800 121.695 119.950 -0.092 0.000 2.069 279 F HA -0.215 3.275 4.527 -1.730 0.000 0.298 279 F C 2.671 178.409 175.800 -0.104 0.000 1.113 279 F CA 2.465 60.429 58.000 -0.059 0.000 1.214 279 F CB -0.802 38.319 39.000 0.202 0.000 0.978 279 F HN 0.044 nan 8.300 nan 0.000 0.474 280 K N 0.048 120.442 120.400 -0.011 0.000 2.009 280 K HA -0.238 3.045 4.320 -1.730 0.000 0.210 280 K C 1.807 178.293 176.600 -0.190 0.000 1.049 280 K CA 2.189 58.417 56.287 -0.097 0.000 0.929 280 K CB -0.535 31.968 32.500 0.007 0.000 0.714 280 K HN 0.177 nan 8.250 nan 0.000 0.440 281 D N -0.279 120.017 120.400 -0.174 0.000 2.178 281 D HA -0.159 3.444 4.640 -1.730 0.000 0.201 281 D C 1.457 177.646 176.300 -0.184 0.000 0.980 281 D CA 0.678 54.581 54.000 -0.161 0.000 0.842 281 D CB -0.266 40.459 40.800 -0.125 0.000 0.948 281 D HN 0.399 nan 8.370 nan 0.000 0.472 282 W N 2.327 123.276 121.300 -0.585 0.000 2.379 282 W HA -0.095 3.528 4.660 -1.729 0.000 0.307 282 W C 2.089 178.330 176.519 -0.463 0.000 1.200 282 W CA 1.177 58.157 57.345 -0.608 0.000 1.297 282 W CB -0.428 28.461 29.460 -0.952 0.000 1.140 282 W HN -0.114 nan 8.180 nan 0.000 0.507 283 R N 0.283 120.471 120.500 -0.520 0.000 2.103 283 R HA -0.180 3.122 4.340 -1.730 0.000 0.242 283 R C 2.030 178.120 176.300 -0.350 0.000 1.142 283 R CA 1.919 57.684 56.100 -0.557 0.000 0.960 283 R CB -0.816 29.167 30.300 -0.528 0.000 0.858 283 R HN 0.185 nan 8.270 nan 0.000 0.439 284 K N 0.513 120.765 120.400 -0.246 0.000 2.520 284 K HA -0.131 3.151 4.320 -1.730 0.000 0.197 284 K C 1.325 177.833 176.600 -0.154 0.000 1.043 284 K CA 0.899 57.084 56.287 -0.169 0.000 0.944 284 K CB 0.106 32.532 32.500 -0.123 0.000 0.770 284 K HN 0.258 nan 8.250 nan 0.000 0.480 285 E N -0.097 119.994 120.200 -0.182 0.000 2.372 285 E HA 0.114 3.426 4.350 -1.730 0.000 0.201 285 E C 0.749 177.234 176.600 -0.191 0.000 0.938 285 E CA 0.190 56.504 56.400 -0.143 0.000 0.944 285 E CB 0.164 29.818 29.700 -0.077 0.000 0.937 285 E HN 0.271 nan 8.360 nan 0.000 0.495 286 M N 1.518 120.934 119.600 -0.306 0.000 2.219 286 M HA 0.019 3.461 4.480 -1.730 0.000 0.307 286 M C 0.971 177.135 176.300 -0.227 0.000 1.116 286 M CA 0.333 55.435 55.300 -0.331 0.000 1.181 286 M CB 0.085 32.387 32.600 -0.497 0.000 1.410 286 M HN -0.095 nan 8.290 nan 0.000 0.454 287 T N -2.393 112.042 114.554 -0.198 0.000 2.828 287 T HA 0.181 3.493 4.350 -1.730 0.000 0.290 287 T C 0.700 175.310 174.700 -0.151 0.000 1.019 287 T CA -0.643 61.371 62.100 -0.144 0.000 1.031 287 T CB 0.368 69.166 68.868 -0.116 0.000 1.001 287 T HN 0.679 nan 8.240 nan 0.000 0.531 288 N N 0.631 119.262 118.700 -0.116 0.000 2.272 288 N HA -0.118 3.585 4.740 -1.730 0.000 0.185 288 N C 2.306 177.749 175.510 -0.112 0.000 1.014 288 N CA 1.154 54.139 53.050 -0.109 0.000 0.870 288 N CB -0.196 38.243 38.487 -0.080 0.000 0.975 288 N HN 0.895 nan 8.380 nan 0.000 0.433 289 E N 1.432 121.567 120.200 -0.109 0.000 2.112 289 E HA -0.116 3.196 4.350 -1.730 0.000 0.190 289 E C 1.634 178.152 176.600 -0.137 0.000 0.979 289 E CA 0.900 57.239 56.400 -0.101 0.000 0.814 289 E CB -0.554 29.100 29.700 -0.078 0.000 0.762 289 E HN 0.502 nan 8.360 nan 0.000 0.460 290 E N 0.062 120.150 120.200 -0.187 0.000 2.150 290 E HA -0.084 3.228 4.350 -1.730 0.000 0.193 290 E C 2.206 178.613 176.600 -0.322 0.000 0.985 290 E CA 1.116 57.354 56.400 -0.270 0.000 0.814 290 E CB 0.008 29.499 29.700 -0.348 0.000 0.752 290 E HN 0.447 nan 8.360 nan 0.000 0.466 291 K N 0.420 120.654 120.400 -0.276 0.000 2.211 291 K HA -0.058 3.225 4.320 -1.730 0.000 0.203 291 K C 1.575 178.070 176.600 -0.175 0.000 1.050 291 K CA 0.838 56.971 56.287 -0.257 0.000 0.945 291 K CB 0.051 32.424 32.500 -0.211 0.000 0.732 291 K HN 0.023 nan 8.250 nan 0.000 0.451 292 N N 0.780 119.396 118.700 -0.139 0.000 2.250 292 N HA 0.006 3.708 4.740 -1.730 0.000 0.181 292 N C 1.746 177.210 175.510 -0.077 0.000 1.017 292 N CA 0.890 53.889 53.050 -0.085 0.000 0.866 292 N CB 0.065 38.514 38.487 -0.063 0.000 0.985 292 N HN 0.135 nan 8.380 nan 0.000 0.429 293 I N 0.689 121.185 120.570 -0.122 0.000 2.272 293 I HA -0.016 3.116 4.170 -1.730 0.000 0.235 293 I C 0.408 176.331 176.117 -0.323 0.000 1.071 293 I CA 0.479 61.704 61.300 -0.125 0.000 1.374 293 I CB -0.218 37.720 38.000 -0.103 0.000 1.121 293 I HN -0.118 nan 8.210 nan 0.000 0.420 294 I N 2.695 122.932 120.570 -0.555 0.000 2.593 294 I HA -0.062 3.071 4.170 -1.730 0.000 0.304 294 I C 1.149 177.129 176.117 -0.228 0.000 1.176 294 I CA 0.253 61.063 61.300 -0.817 0.000 1.533 294 I CB -0.374 37.211 38.000 -0.691 0.000 1.492 294 I HN 0.373 nan 8.210 nan 0.000 0.704 295 T N -0.252 114.315 114.554 0.022 0.000 3.010 295 T HA 0.136 3.449 4.350 -1.730 0.000 0.257 295 T C 0.555 175.487 174.700 0.387 0.000 1.020 295 T CA -0.300 61.954 62.100 0.256 0.000 0.938 295 T CB 0.045 69.003 68.868 0.150 0.000 1.049 295 T HN 0.381 nan 8.240 nan 0.000 0.522 296 N N 0.764 119.716 118.700 0.420 0.000 2.461 296 N HA 0.317 4.019 4.740 -1.730 0.000 0.284 296 N C 0.345 175.942 175.510 0.146 0.000 1.049 296 N CA -0.745 52.400 53.050 0.158 0.000 0.889 296 N CB 1.820 40.421 38.487 0.189 0.000 1.365 296 N HN 0.058 nan 8.380 nan 0.000 0.499 297 L N 3.756 124.739 121.223 -0.400 0.000 2.042 297 L HA -0.099 3.204 4.340 -1.730 0.000 0.210 297 L C 2.069 179.041 176.870 0.170 0.000 1.076 297 L CA 2.356 57.166 54.840 -0.049 0.000 0.749 297 L CB -0.818 41.091 42.059 -0.249 0.000 0.893 297 L HN 0.747 nan 8.230 nan 0.000 0.432 298 S N -1.401 114.339 115.700 0.067 0.000 2.493 298 S HA -0.195 3.237 4.470 -1.730 0.000 0.243 298 S C 1.761 176.388 174.600 0.044 0.000 0.991 298 S CA 1.186 59.430 58.200 0.073 0.000 0.957 298 S CB -0.548 62.672 63.200 0.034 0.000 0.756 298 S HN 0.627 nan 8.310 nan 0.000 0.521 299 K N -0.256 120.180 120.400 0.060 0.000 2.358 299 K HA 0.254 3.536 4.320 -1.730 0.000 0.197 299 K C -0.287 176.231 176.600 -0.138 0.000 1.025 299 K CA -0.213 55.979 56.287 -0.159 0.000 1.104 299 K CB 0.273 32.484 32.500 -0.482 0.000 0.855 299 K HN 0.356 nan 8.250 nan 0.000 0.531 300 C N 1.791 121.184 119.300 0.155 0.000 2.452 300 C HA 0.236 3.659 4.460 -1.730 0.000 0.379 300 C C 0.191 175.011 174.990 -0.283 0.000 1.275 300 C CA -0.909 58.127 59.018 0.030 0.000 2.056 300 C CB 0.298 28.188 27.740 0.250 0.000 2.506 300 C HN 0.320 nan 8.230 nan 0.000 0.560 301 D N 0.761 120.849 120.400 -0.521 0.000 2.453 301 D HA 0.440 4.043 4.640 -1.730 0.000 0.238 301 D C -0.269 175.934 176.300 -0.161 0.000 1.088 301 D CA -0.426 53.414 54.000 -0.265 0.000 0.854 301 D CB 0.290 40.980 40.800 -0.183 0.000 1.076 301 D HN 0.425 nan 8.370 nan 0.000 0.533 302 F N 1.542 121.671 119.950 0.299 0.000 2.641 302 F HA 0.153 3.643 4.527 -1.729 0.000 0.302 302 F C 2.186 178.137 175.800 0.251 0.000 1.098 302 F CA -0.200 58.023 58.000 0.371 0.000 1.318 302 F CB 0.180 39.416 39.000 0.393 0.000 1.035 302 F HN 0.279 nan 8.300 nan 0.000 0.551 303 T N -0.459 114.272 114.554 0.296 0.000 2.674 303 T HA -0.211 3.101 4.350 -1.730 0.000 0.265 303 T C 2.065 176.868 174.700 0.171 0.000 1.039 303 T CA 1.471 63.686 62.100 0.192 0.000 1.150 303 T CB -0.157 68.764 68.868 0.089 0.000 0.864 303 T HN 0.302 nan 8.240 nan 0.000 0.427 304 Q N 0.228 120.123 119.800 0.158 0.000 2.045 304 Q HA -0.152 3.150 4.340 -1.730 0.000 0.206 304 Q C 2.381 178.470 176.000 0.148 0.000 0.991 304 Q CA 1.612 57.500 55.803 0.141 0.000 0.851 304 Q CB -0.347 28.499 28.738 0.180 0.000 0.911 304 Q HN 0.521 nan 8.270 nan 0.000 0.418 305 M N -0.008 119.718 119.600 0.209 0.000 2.108 305 M HA -0.212 3.230 4.480 -1.730 0.000 0.261 305 M C 2.330 178.754 176.300 0.207 0.000 1.066 305 M CA 1.908 57.318 55.300 0.183 0.000 1.107 305 M CB -0.152 32.682 32.600 0.389 0.000 1.356 305 M HN 0.120 nan 8.290 nan 0.000 0.406 306 S N -0.195 115.688 115.700 0.306 0.000 2.368 306 S HA -0.198 3.234 4.470 -1.730 0.000 0.225 306 S C 1.872 176.609 174.600 0.229 0.000 1.030 306 S CA 1.452 59.840 58.200 0.312 0.000 0.999 306 S CB -0.307 63.037 63.200 0.239 0.000 0.844 306 S HN 0.624 nan 8.310 nan 0.000 0.459 307 Q N -0.321 119.573 119.800 0.157 0.000 2.167 307 Q HA -0.083 3.219 4.340 -1.730 0.000 0.202 307 Q C 1.830 177.886 176.000 0.093 0.000 0.970 307 Q CA 1.433 57.302 55.803 0.110 0.000 0.855 307 Q CB -0.780 28.011 28.738 0.088 0.000 0.911 307 Q HN 0.858 nan 8.270 nan 0.000 0.438 308 Y N 0.624 120.859 120.300 -0.107 0.000 2.145 308 Y HA -0.254 3.258 4.550 -1.729 0.000 0.286 308 Y C 1.776 177.562 175.900 -0.190 0.000 1.145 308 Y CA 1.465 59.432 58.100 -0.221 0.000 1.148 308 Y CB -0.401 37.807 38.460 -0.420 0.000 0.981 308 Y HN -0.047 nan 8.280 nan 0.000 0.507 309 F N 0.595 120.576 119.950 0.053 0.000 2.146 309 F HA -0.090 3.399 4.527 -1.729 0.000 0.298 309 F C 2.330 178.085 175.800 -0.076 0.000 1.096 309 F CA 1.472 59.429 58.000 -0.072 0.000 1.275 309 F CB -0.820 38.218 39.000 0.064 0.000 1.008 309 F HN -0.078 nan 8.300 nan 0.000 0.480 310 K N 0.267 120.765 120.400 0.164 0.000 2.063 310 K HA -0.189 3.094 4.320 -1.730 0.000 0.208 310 K C 2.333 178.945 176.600 0.019 0.000 1.048 310 K CA 1.283 57.620 56.287 0.084 0.000 0.928 310 K CB -0.562 31.984 32.500 0.076 0.000 0.713 310 K HN 0.252 nan 8.250 nan 0.000 0.442 311 A N 1.525 124.332 122.820 -0.022 0.000 1.845 311 A HA -0.226 3.057 4.320 -1.730 0.000 0.215 311 A C 2.109 179.639 177.584 -0.091 0.000 1.195 311 A CA 1.425 53.427 52.037 -0.058 0.000 0.616 311 A CB -0.535 18.417 19.000 -0.081 0.000 0.832 311 A HN 0.210 nan 8.150 nan 0.000 0.443 312 Q N -0.251 119.439 119.800 -0.184 0.000 2.133 312 Q HA -0.182 3.120 4.340 -1.730 0.000 0.208 312 Q C 2.187 178.154 176.000 -0.056 0.000 0.991 312 Q CA 2.231 57.937 55.803 -0.161 0.000 0.867 312 Q CB -1.560 27.046 28.738 -0.220 0.000 0.911 312 Q HN 0.694 nan 8.270 nan 0.000 0.417 313 T N 1.002 115.545 114.554 -0.017 0.000 2.684 313 T HA -0.179 3.133 4.350 -1.730 0.000 0.267 313 T C 1.786 176.483 174.700 -0.006 0.000 1.036 313 T CA 1.657 63.757 62.100 0.000 0.000 1.148 313 T CB -0.158 68.720 68.868 0.016 0.000 0.863 313 T HN 0.274 nan 8.240 nan 0.000 0.436 314 E N 1.444 121.638 120.200 -0.009 0.000 2.110 314 E HA 0.041 3.353 4.350 -1.730 0.000 0.193 314 E C 1.991 178.585 176.600 -0.011 0.000 0.988 314 E CA 1.058 57.454 56.400 -0.007 0.000 0.804 314 E CB -0.480 29.217 29.700 -0.006 0.000 0.745 314 E HN 0.439 nan 8.360 nan 0.000 0.458 315 A N -0.072 122.735 122.820 -0.022 0.000 2.264 315 A HA -0.024 3.258 4.320 -1.730 0.000 0.207 315 A C 1.814 179.390 177.584 -0.012 0.000 1.196 315 A CA 0.719 52.744 52.037 -0.019 0.000 0.778 315 A CB -0.263 18.717 19.000 -0.033 0.000 0.779 315 A HN 0.116 nan 8.150 nan 0.000 0.483 316 R N -1.238 119.257 120.500 -0.009 0.000 2.194 316 R HA 0.138 3.440 4.340 -1.730 0.000 0.194 316 R C 1.663 177.964 176.300 0.002 0.000 0.985 316 R CA 0.381 56.480 56.100 -0.002 0.000 1.104 316 R CB -0.032 30.268 30.300 -0.000 0.000 1.092 316 R HN 0.343 nan 8.270 nan 0.000 0.555 317 K N 0.652 121.052 120.400 0.001 0.000 2.209 317 K HA -0.081 3.201 4.320 -1.730 0.000 0.204 317 K C 0.487 177.089 176.600 0.003 0.000 1.048 317 K CA 0.953 57.242 56.287 0.003 0.000 0.940 317 K CB 0.234 32.735 32.500 0.002 0.000 0.729 317 K HN 0.060 nan 8.250 nan 0.000 0.451 318 Q N 0.327 120.128 119.800 0.002 0.000 2.640 318 Q HA 0.249 3.551 4.340 -1.730 0.000 0.389 318 Q C -0.193 175.809 176.000 0.004 0.000 1.012 318 Q CA 0.145 55.949 55.803 0.003 0.000 1.060 318 Q CB 0.383 29.122 28.738 0.001 0.000 1.332 318 Q HN 0.271 nan 8.270 nan 0.000 0.418 319 M N 0.838 120.441 119.600 0.006 0.000 2.409 319 M HA 0.277 3.719 4.480 -1.730 0.000 0.329 319 M C 0.596 176.901 176.300 0.009 0.000 1.180 319 M CA -0.505 54.800 55.300 0.007 0.000 1.053 319 M CB 1.570 34.175 32.600 0.009 0.000 1.586 319 M HN 0.123 nan 8.290 nan 0.000 0.461 320 S N 1.183 116.889 115.700 0.010 0.000 2.593 320 S HA 0.183 3.615 4.470 -1.730 0.000 0.269 320 S C 0.681 175.288 174.600 0.012 0.000 1.334 320 S CA -0.532 57.674 58.200 0.010 0.000 1.015 320 S CB 1.000 64.206 63.200 0.011 0.000 0.912 320 S HN 0.710 nan 8.310 nan 0.000 0.541 321 K N 1.294 121.701 120.400 0.012 0.000 2.103 321 K HA -0.144 3.138 4.320 -1.730 0.000 0.207 321 K C 2.729 179.338 176.600 0.014 0.000 1.048 321 K CA 1.710 58.005 56.287 0.013 0.000 0.930 321 K CB -0.785 31.722 32.500 0.012 0.000 0.716 321 K HN 0.880 nan 8.250 nan 0.000 0.444 322 E N 1.242 121.450 120.200 0.014 0.000 2.077 322 E HA -0.219 3.093 4.350 -1.730 0.000 0.193 322 E C 2.076 178.686 176.600 0.017 0.000 0.989 322 E CA 1.763 58.172 56.400 0.015 0.000 0.800 322 E CB -1.054 28.654 29.700 0.014 0.000 0.746 322 E HN 0.615 nan 8.360 nan 0.000 0.452 323 E N 1.572 121.782 120.200 0.016 0.000 2.017 323 E HA -0.224 3.088 4.350 -1.730 0.000 0.193 323 E C 2.205 178.816 176.600 0.019 0.000 0.997 323 E CA 1.547 57.957 56.400 0.017 0.000 0.804 323 E CB -0.659 29.050 29.700 0.015 0.000 0.757 323 E HN 0.647 nan 8.360 nan 0.000 0.448 324 K N -0.394 120.017 120.400 0.018 0.000 2.034 324 K HA -0.150 3.132 4.320 -1.730 0.000 0.214 324 K C 2.321 178.935 176.600 0.023 0.000 1.051 324 K CA 1.570 57.869 56.287 0.020 0.000 0.931 324 K CB -0.486 32.024 32.500 0.017 0.000 0.715 324 K HN 0.294 nan 8.250 nan 0.000 0.446 325 L N 2.089 123.325 121.223 0.022 0.000 2.043 325 L HA -0.226 3.076 4.340 -1.730 0.000 0.212 325 L C 2.277 179.164 176.870 0.027 0.000 1.075 325 L CA 1.865 56.720 54.840 0.024 0.000 0.752 325 L CB -0.470 41.601 42.059 0.021 0.000 0.891 325 L HN 0.105 nan 8.230 nan 0.000 0.432 326 K N -0.260 120.156 120.400 0.026 0.000 2.032 326 K HA -0.212 3.070 4.320 -1.730 0.000 0.209 326 K C 2.178 178.799 176.600 0.034 0.000 1.048 326 K CA 2.202 58.507 56.287 0.029 0.000 0.927 326 K CB -0.389 32.127 32.500 0.026 0.000 0.712 326 K HN 0.603 nan 8.250 nan 0.000 0.441 327 I N -0.660 119.930 120.570 0.034 0.000 2.353 327 I HA -0.150 2.983 4.170 -1.730 0.000 0.248 327 I C 2.229 178.373 176.117 0.045 0.000 1.119 327 I CA 1.387 62.710 61.300 0.039 0.000 1.417 327 I CB -0.383 37.638 38.000 0.035 0.000 1.078 327 I HN 0.043 nan 8.210 nan 0.000 0.421 328 K N 1.051 121.475 120.400 0.041 0.000 2.103 328 K HA -0.210 3.072 4.320 -1.730 0.000 0.207 328 K C 1.935 178.567 176.600 0.053 0.000 1.048 328 K CA 1.822 58.136 56.287 0.045 0.000 0.930 328 K CB -0.159 32.364 32.500 0.038 0.000 0.716 328 K HN 0.445 nan 8.250 nan 0.000 0.444 329 E N 0.381 120.610 120.200 0.048 0.000 2.285 329 E HA -0.139 3.173 4.350 -1.730 0.000 0.194 329 E C 1.691 178.327 176.600 0.060 0.000 0.997 329 E CA 0.612 57.042 56.400 0.051 0.000 0.845 329 E CB 0.239 29.964 29.700 0.041 0.000 0.782 329 E HN 0.484 nan 8.360 nan 0.000 0.491 330 E N 0.814 121.051 120.200 0.061 0.000 2.150 330 E HA -0.132 3.180 4.350 -1.730 0.000 0.193 330 E C 1.730 178.385 176.600 0.092 0.000 0.985 330 E CA 0.662 57.105 56.400 0.071 0.000 0.814 330 E CB 0.231 29.970 29.700 0.064 0.000 0.752 330 E HN 0.104 nan 8.360 nan 0.000 0.466 331 N N 0.212 118.967 118.700 0.092 0.000 2.135 331 N HA -0.160 3.542 4.740 -1.730 0.000 0.186 331 N C 1.987 177.574 175.510 0.129 0.000 1.027 331 N CA 1.582 54.703 53.050 0.118 0.000 0.849 331 N CB -0.508 38.040 38.487 0.102 0.000 1.002 331 N HN 0.351 nan 8.380 nan 0.000 0.425 332 E N 2.524 122.785 120.200 0.102 0.000 2.171 332 E HA -0.241 3.071 4.350 -1.730 0.000 0.197 332 E C 1.766 178.423 176.600 0.095 0.000 0.997 332 E CA 1.858 58.316 56.400 0.097 0.000 0.810 332 E CB -0.850 28.895 29.700 0.074 0.000 0.738 332 E HN 0.750 nan 8.360 nan 0.000 0.467 333 K N -0.636 119.820 120.400 0.093 0.000 2.167 333 K HA 0.158 3.440 4.320 -1.730 0.000 0.203 333 K C 2.253 178.923 176.600 0.115 0.000 1.052 333 K CA 1.062 57.401 56.287 0.086 0.000 0.956 333 K CB -0.117 32.431 32.500 0.080 0.000 0.735 333 K HN 0.283 nan 8.250 nan 0.000 0.451 334 L N 1.375 122.697 121.223 0.165 0.000 2.044 334 L HA -0.074 3.229 4.340 -1.730 0.000 0.205 334 L C 2.332 179.277 176.870 0.125 0.000 1.075 334 L CA 0.963 55.956 54.840 0.255 0.000 0.747 334 L CB -0.319 41.913 42.059 0.289 0.000 0.903 334 L HN 0.290 nan 8.230 nan 0.000 0.435 335 L N 0.252 121.529 121.223 0.090 0.000 2.046 335 L HA -0.239 3.063 4.340 -1.730 0.000 0.208 335 L C 2.667 179.544 176.870 0.011 0.000 1.077 335 L CA 2.559 57.374 54.840 -0.042 0.000 0.747 335 L CB -1.027 41.107 42.059 0.124 0.000 0.896 335 L HN 0.370 nan 8.230 nan 0.000 0.432 336 K N -0.121 120.344 120.400 0.109 0.000 2.288 336 K HA -0.045 3.237 4.320 -1.730 0.000 0.201 336 K C 1.907 178.542 176.600 0.058 0.000 1.048 336 K CA 1.404 57.782 56.287 0.151 0.000 0.956 336 K CB -1.055 31.486 32.500 0.069 0.000 0.746 336 K HN 0.693 nan 8.250 nan 0.000 0.461 337 E N -0.830 119.339 120.200 -0.053 0.000 2.099 337 E HA 0.105 3.417 4.350 -1.730 0.000 0.191 337 E C 1.730 178.070 176.600 -0.433 0.000 0.962 337 E CA 1.040 57.284 56.400 -0.261 0.000 0.826 337 E CB -0.336 29.145 29.700 -0.364 0.000 0.788 337 E HN 0.799 nan 8.360 nan 0.000 0.461 338 Y N -0.479 119.707 120.300 -0.189 0.000 2.467 338 Y HA 0.405 3.917 4.550 -1.730 0.000 0.250 338 Y C 2.450 177.964 175.900 -0.643 0.000 1.155 338 Y CA -0.022 57.908 58.100 -0.283 0.000 1.249 338 Y CB 0.834 39.171 38.460 -0.205 0.000 1.146 338 Y HN 0.303 nan 8.280 nan 0.000 0.524 339 G N -0.571 107.847 108.800 -0.637 0.000 2.813 339 G HA2 0.069 2.991 3.960 -1.730 0.000 0.209 339 G HA3 0.069 2.991 3.960 -1.730 0.000 0.209 339 G C -0.086 174.368 174.900 -0.744 0.000 1.150 339 G CA 0.425 45.007 45.100 -0.864 0.000 0.785 339 G HN 0.134 nan 8.290 nan 0.000 0.535 340 F N -0.907 118.957 119.950 -0.144 0.000 2.603 340 F HA 0.601 4.090 4.527 -1.730 0.000 0.317 340 F C 0.329 176.111 175.800 -0.030 0.000 1.066 340 F CA -1.280 56.685 58.000 -0.059 0.000 0.941 340 F CB 1.687 40.658 39.000 -0.049 0.000 1.291 340 F HN 0.107 nan 8.300 nan 0.000 0.472 341 C N 0.252 119.675 119.300 0.206 0.000 3.213 341 C HA 0.867 4.289 4.460 -1.730 0.000 0.319 341 C C -1.024 174.040 174.990 0.122 0.000 1.386 341 C CA -1.172 57.922 59.018 0.125 0.000 1.494 341 C CB 1.282 29.052 27.740 0.049 0.000 1.905 341 C HN 0.727 nan 8.230 nan 0.000 0.456 342 I N 1.989 122.613 120.570 0.089 0.000 2.362 342 I HA 0.448 3.580 4.170 -1.730 0.000 0.289 342 I C -0.206 175.957 176.117 0.077 0.000 0.994 342 I CA -0.226 61.160 61.300 0.142 0.000 1.158 342 I CB 1.476 39.636 38.000 0.266 0.000 1.315 342 I HN 0.713 nan 8.210 nan 0.000 0.451 343 M N 5.982 125.645 119.600 0.106 0.000 2.243 343 M HA 0.304 3.746 4.480 -1.730 0.000 0.324 343 M C -0.543 175.881 176.300 0.207 0.000 1.031 343 M CA 0.053 55.383 55.300 0.050 0.000 0.949 343 M CB 0.853 33.464 32.600 0.018 0.000 1.615 343 M HN 0.644 nan 8.290 nan 0.000 0.430 344 D N 1.922 122.510 120.400 0.314 0.000 3.608 344 D HA -0.313 3.290 4.640 -1.730 0.000 0.152 344 D C 0.630 177.023 176.300 0.155 0.000 0.971 344 D CA 2.270 56.444 54.000 0.289 0.000 1.072 344 D CB -0.626 40.299 40.800 0.208 0.000 0.507 344 D HN 0.862 nan 8.370 nan 0.000 0.520 345 N N 0.452 119.134 118.700 -0.030 0.000 2.280 345 N HA 0.058 3.760 4.740 -1.730 0.000 0.192 345 N C 0.315 175.594 175.510 -0.385 0.000 1.109 345 N CA 0.651 53.549 53.050 -0.254 0.000 0.855 345 N CB -0.178 38.084 38.487 -0.375 0.000 0.974 345 N HN 0.374 nan 8.380 nan 0.000 0.482 346 H N -0.989 118.118 119.070 0.060 0.000 2.731 346 H HA 0.600 4.119 4.556 -1.728 0.000 0.368 346 H C -0.279 175.088 175.328 0.066 0.000 1.168 346 H CA -0.592 55.484 56.048 0.047 0.000 1.181 346 H CB 1.550 31.338 29.762 0.044 0.000 1.743 346 H HN 0.378 nan 8.280 nan 0.000 0.547 347 K N 1.989 122.499 120.400 0.183 0.000 2.258 347 K HA 0.252 3.534 4.320 -1.730 0.000 0.284 347 K C 0.127 176.855 176.600 0.213 0.000 1.051 347 K CA -0.639 55.734 56.287 0.144 0.000 0.923 347 K CB 0.577 33.088 32.500 0.019 0.000 1.046 347 K HN 0.535 nan 8.250 nan 0.000 0.474 348 E N 0.894 121.245 120.200 0.252 0.000 2.235 348 E HA 0.414 3.726 4.350 -1.730 0.000 0.265 348 E C -0.795 175.985 176.600 0.299 0.000 0.940 348 E CA -1.269 55.275 56.400 0.241 0.000 0.819 348 E CB 1.849 31.625 29.700 0.127 0.000 1.206 348 E HN 0.506 nan 8.360 nan 0.000 0.409 349 R N 1.223 121.799 120.500 0.126 0.000 2.308 349 R HA 0.354 3.656 4.340 -1.730 0.000 0.305 349 R C -0.602 175.604 176.300 -0.156 0.000 1.053 349 R CA -0.176 55.782 56.100 -0.235 0.000 0.957 349 R CB 0.011 30.200 30.300 -0.185 0.000 1.022 349 R HN 0.464 nan 8.270 nan 0.000 0.461 350 I N 4.619 125.058 120.570 -0.218 0.000 2.385 350 I HA 0.289 3.421 4.170 -1.730 0.000 0.294 350 I C 1.012 177.150 176.117 0.034 0.000 0.988 350 I CA -0.465 60.805 61.300 -0.050 0.000 1.265 350 I CB 1.874 39.871 38.000 -0.006 0.000 1.388 350 I HN 0.839 nan 8.210 nan 0.000 0.480 351 A N 5.964 128.811 122.820 0.044 0.000 1.833 351 A HA -0.077 3.206 4.320 -1.730 0.000 0.215 351 A C 0.895 178.505 177.584 0.042 0.000 1.275 351 A CA 1.003 53.063 52.037 0.039 0.000 0.602 351 A CB -0.401 18.608 19.000 0.016 0.000 0.929 351 A HN 0.818 nan 8.150 nan 0.000 0.462 352 N N 0.969 119.682 118.700 0.021 0.000 2.868 352 N HA 0.243 3.946 4.740 -1.730 0.000 0.252 352 N C -0.058 175.454 175.510 0.003 0.000 1.130 352 N CA -0.332 52.687 53.050 -0.051 0.000 1.026 352 N CB 0.095 38.579 38.487 -0.005 0.000 1.335 352 N HN 0.506 nan 8.380 nan 0.000 0.516 353 F N -0.172 119.768 119.950 -0.016 0.000 2.710 353 F HA 0.311 3.800 4.527 -1.730 0.000 0.298 353 F C 0.022 175.782 175.800 -0.068 0.000 1.137 353 F CA -0.548 57.441 58.000 -0.019 0.000 1.444 353 F CB -0.031 38.972 39.000 0.006 0.000 1.111 353 F HN -0.037 nan 8.300 nan 0.000 0.580 354 K N 1.912 122.126 120.400 -0.310 0.000 2.182 354 K HA 0.421 3.703 4.320 -1.730 0.000 0.262 354 K C -0.345 176.111 176.600 -0.240 0.000 0.957 354 K CA -0.958 55.169 56.287 -0.267 0.000 0.842 354 K CB 2.041 34.341 32.500 -0.334 0.000 1.099 354 K HN -0.071 nan 8.250 nan 0.000 0.438 355 I N 2.502 122.849 120.570 -0.372 0.000 2.634 355 I HA -0.012 3.121 4.170 -1.730 0.000 0.284 355 I C 0.624 176.582 176.117 -0.264 0.000 1.124 355 I CA 0.042 61.041 61.300 -0.502 0.000 1.417 355 I CB 0.093 37.602 38.000 -0.817 0.000 1.396 355 I HN 0.636 nan 8.210 nan 0.000 0.571 356 E N 6.736 126.867 120.200 -0.115 0.000 2.417 356 E HA 0.094 3.406 4.350 -1.730 0.000 0.261 356 E C -2.139 174.407 176.600 -0.089 0.000 1.000 356 E CA -1.228 55.155 56.400 -0.029 0.000 0.919 356 E CB -0.012 29.755 29.700 0.111 0.000 0.955 356 E HN 0.353 nan 8.360 nan 0.000 0.455 357 P HA 0.048 nan 4.420 nan 0.000 0.272 357 P C -2.422 174.810 177.300 -0.114 0.000 1.223 357 P CA -1.020 62.032 63.100 -0.080 0.000 0.784 357 P CB 0.020 31.679 31.700 -0.069 0.000 0.923 358 P HA 0.277 nan 4.420 nan 0.000 0.271 358 P C -0.079 176.833 177.300 -0.647 0.000 1.218 358 P CA 0.389 63.401 63.100 -0.146 0.000 0.780 358 P CB 0.823 32.593 31.700 0.117 0.000 0.901 359 G N 1.179 109.485 108.800 -0.824 0.000 2.427 359 G HA2 0.439 3.362 3.960 -1.730 0.000 0.306 359 G HA3 0.439 3.362 3.960 -1.730 0.000 0.306 359 G C -1.731 172.811 174.900 -0.597 0.000 1.280 359 G CA -0.841 43.491 45.100 -1.280 0.000 0.837 359 G HN 0.406 nan 8.290 nan 0.000 0.482 360 L N 0.516 121.516 121.223 -0.373 0.000 2.325 360 L HA 0.505 3.807 4.340 -1.730 0.000 0.279 360 L C -0.207 176.576 176.870 -0.145 0.000 1.054 360 L CA -0.752 53.996 54.840 -0.154 0.000 0.804 360 L CB 1.520 43.546 42.059 -0.055 0.000 1.200 360 L HN 0.479 nan 8.230 nan 0.000 0.436 361 F N 2.958 122.754 119.950 -0.257 0.000 2.543 361 F HA 0.134 3.624 4.527 -1.729 0.000 0.375 361 F C 0.568 176.221 175.800 -0.244 0.000 1.075 361 F CA -0.167 57.690 58.000 -0.238 0.000 1.225 361 F CB 0.279 39.145 39.000 -0.225 0.000 1.099 361 F HN 0.351 nan 8.300 nan 0.000 0.561 362 R N 4.687 124.548 120.500 -1.065 0.000 3.050 362 R HA 0.299 3.602 4.340 -1.730 0.000 0.275 362 R C 0.257 175.992 176.300 -0.942 0.000 1.373 362 R CA -0.462 55.065 56.100 -0.954 0.000 1.612 362 R CB 0.519 30.326 30.300 -0.822 0.000 1.218 362 R HN 0.827 nan 8.270 nan 0.000 0.621 363 G N 1.580 109.809 108.800 -0.952 0.000 2.406 363 G HA2 0.103 3.026 3.960 -1.730 0.000 0.251 363 G HA3 0.103 3.026 3.960 -1.730 0.000 0.251 363 G C 0.044 175.005 174.900 0.101 0.000 1.271 363 G CA -0.577 44.255 45.100 -0.447 0.000 0.859 363 G HN 0.392 nan 8.290 nan 0.000 0.540 364 R N 1.383 121.979 120.500 0.159 0.000 2.582 364 R HA 0.510 3.812 4.340 -1.730 0.000 0.271 364 R C 1.153 177.576 176.300 0.205 0.000 1.078 364 R CA 0.507 56.715 56.100 0.179 0.000 1.127 364 R CB 0.622 30.998 30.300 0.127 0.000 1.038 364 R HN 1.011 nan 8.270 nan 0.000 0.500 365 G N 1.973 110.857 108.800 0.141 0.000 2.531 365 G HA2 -0.400 2.522 3.960 -1.730 0.000 0.274 365 G HA3 -0.400 2.522 3.960 -1.730 0.000 0.274 365 G C 0.084 175.074 174.900 0.149 0.000 1.159 365 G CA 0.334 45.507 45.100 0.122 0.000 0.969 365 G HN 0.914 nan 8.290 nan 0.000 0.554 366 N N 0.181 118.966 118.700 0.142 0.000 2.327 366 N HA 0.041 3.743 4.740 -1.730 0.000 0.231 366 N C 0.476 176.107 175.510 0.202 0.000 1.130 366 N CA -0.266 52.875 53.050 0.152 0.000 0.845 366 N CB -0.014 38.538 38.487 0.108 0.000 1.073 366 N HN 0.685 nan 8.380 nan 0.000 0.496 367 H N 3.256 122.431 119.070 0.175 0.000 3.216 367 H HA 0.013 3.531 4.556 -1.730 0.000 0.283 367 H C -1.242 174.214 175.328 0.213 0.000 0.921 367 H CA -0.882 55.291 56.048 0.208 0.000 1.419 367 H CB 1.267 31.192 29.762 0.272 0.000 1.460 367 H HN 0.359 nan 8.280 nan 0.000 0.553 368 P HA -0.080 nan 4.420 nan 0.000 0.231 368 P C 0.375 177.872 177.300 0.328 0.000 1.158 368 P CA 1.069 64.343 63.100 0.290 0.000 0.763 368 P CB 0.347 32.144 31.700 0.162 0.000 0.805 369 K N -0.391 120.317 120.400 0.514 0.000 2.358 369 K HA 0.195 3.477 4.320 -1.730 0.000 0.200 369 K C 1.191 177.942 176.600 0.251 0.000 1.030 369 K CA -0.213 56.216 56.287 0.236 0.000 1.097 369 K CB -0.016 32.516 32.500 0.054 0.000 0.862 369 K HN 0.277 nan 8.250 nan 0.000 0.534 370 M N -0.887 118.909 119.600 0.328 0.000 2.250 370 M HA 0.158 3.600 4.480 -1.730 0.000 0.337 370 M C 0.886 177.182 176.300 -0.008 0.000 1.161 370 M CA 1.404 56.862 55.300 0.263 0.000 1.088 370 M CB 0.157 33.008 32.600 0.419 0.000 1.639 370 M HN 0.248 nan 8.290 nan 0.000 0.447 371 G N 2.172 110.705 108.800 -0.445 0.000 2.225 371 G HA2 -0.227 2.695 3.960 -1.730 0.000 0.254 371 G HA3 -0.227 2.695 3.960 -1.730 0.000 0.254 371 G C 0.130 174.828 174.900 -0.336 0.000 0.988 371 G CA 0.240 44.698 45.100 -1.069 0.000 0.625 371 G HN 0.736 nan 8.290 nan 0.000 0.527 372 M N 0.420 119.953 119.600 -0.113 0.000 2.243 372 M HA 0.452 3.894 4.480 -1.730 0.000 0.341 372 M C 0.606 176.880 176.300 -0.044 0.000 1.130 372 M CA -0.565 54.699 55.300 -0.059 0.000 1.162 372 M CB 0.914 33.478 32.600 -0.059 0.000 1.497 372 M HN 0.228 nan 8.290 nan 0.000 0.456 373 L N 3.606 124.806 121.223 -0.039 0.000 2.367 373 L HA 0.184 3.486 4.340 -1.730 0.000 0.275 373 L C -0.132 176.719 176.870 -0.031 0.000 1.129 373 L CA 0.557 55.390 54.840 -0.012 0.000 0.839 373 L CB 0.343 42.417 42.059 0.026 0.000 1.133 373 L HN 0.524 nan 8.230 nan 0.000 0.453 374 K N 5.591 125.962 120.400 -0.047 0.000 2.299 374 K HA 0.347 3.629 4.320 -1.730 0.000 0.268 374 K C -0.215 176.366 176.600 -0.033 0.000 1.075 374 K CA -0.694 55.568 56.287 -0.042 0.000 0.936 374 K CB 0.419 32.896 32.500 -0.038 0.000 1.228 374 K HN 0.760 nan 8.250 nan 0.000 0.454 375 R N 2.436 122.934 120.500 -0.005 0.000 2.738 375 R HA 0.111 3.413 4.340 -1.730 0.000 0.268 375 R C -0.204 176.099 176.300 0.006 0.000 1.062 375 R CA -0.622 55.487 56.100 0.015 0.000 1.158 375 R CB 0.507 30.814 30.300 0.011 0.000 1.046 375 R HN 0.437 nan 8.270 nan 0.000 0.493 376 R N 1.871 122.383 120.500 0.020 0.000 2.401 376 R HA 0.088 3.390 4.340 -1.730 0.000 0.299 376 R C -0.368 175.920 176.300 -0.020 0.000 1.064 376 R CA -0.486 55.618 56.100 0.006 0.000 1.000 376 R CB 0.509 30.830 30.300 0.036 0.000 0.973 376 R HN 0.530 nan 8.270 nan 0.000 0.438 377 I N 6.119 126.646 120.570 -0.072 0.000 2.379 377 I HA 0.087 3.219 4.170 -1.730 0.000 0.290 377 I C 0.411 176.554 176.117 0.042 0.000 1.063 377 I CA -0.083 61.153 61.300 -0.108 0.000 1.351 377 I CB 0.601 38.332 38.000 -0.449 0.000 1.410 377 I HN 0.599 nan 8.210 nan 0.000 0.505 378 M N 9.127 128.743 119.600 0.026 0.000 2.291 378 M HA 0.317 3.760 4.480 -1.730 0.000 0.324 378 M C -1.292 175.044 176.300 0.061 0.000 1.148 378 M CA -2.729 52.547 55.300 -0.041 0.000 1.104 378 M CB 0.077 32.639 32.600 -0.065 0.000 1.483 378 M HN 0.112 nan 8.290 nan 0.000 0.467 379 P HA -0.109 nan 4.420 nan 0.000 0.222 379 P C 0.414 177.826 177.300 0.186 0.000 1.147 379 P CA 1.136 64.240 63.100 0.006 0.000 0.790 379 P CB 0.277 31.642 31.700 -0.558 0.000 0.780 380 E N -0.967 119.282 120.200 0.082 0.000 2.511 380 E HA -0.077 3.235 4.350 -1.730 0.000 0.196 380 E C 0.991 177.679 176.600 0.148 0.000 1.066 380 E CA 0.678 57.150 56.400 0.120 0.000 0.871 380 E CB -0.563 29.184 29.700 0.079 0.000 0.863 380 E HN 0.340 nan 8.360 nan 0.000 0.520 381 D N -0.557 119.946 120.400 0.172 0.000 2.423 381 D HA 0.029 3.631 4.640 -1.730 0.000 0.208 381 D C 0.160 176.595 176.300 0.224 0.000 1.068 381 D CA -0.002 54.096 54.000 0.163 0.000 0.860 381 D CB 0.843 41.713 40.800 0.117 0.000 0.992 381 D HN 0.103 nan 8.370 nan 0.000 0.504 382 I N 2.392 123.148 120.570 0.309 0.000 2.416 382 I HA 0.204 3.336 4.170 -1.730 0.000 0.288 382 I C 0.572 176.869 176.117 0.300 0.000 1.051 382 I CA -0.385 61.116 61.300 0.336 0.000 1.375 382 I CB 0.810 39.097 38.000 0.480 0.000 1.407 382 I HN -0.219 nan 8.210 nan 0.000 0.516 383 I N 6.540 127.240 120.570 0.216 0.000 2.339 383 I HA 0.338 3.470 4.170 -1.730 0.000 0.290 383 I C 0.021 176.259 176.117 0.202 0.000 0.994 383 I CA -0.649 60.779 61.300 0.214 0.000 1.191 383 I CB 1.678 39.826 38.000 0.247 0.000 1.343 383 I HN 0.236 nan 8.210 nan 0.000 0.458 384 I N 5.220 125.807 120.570 0.028 0.000 2.428 384 I HA 0.287 3.419 4.170 -1.730 0.000 0.296 384 I C -0.135 176.004 176.117 0.037 0.000 0.985 384 I CA -0.313 60.950 61.300 -0.061 0.000 1.260 384 I CB 1.425 39.158 38.000 -0.444 0.000 1.389 384 I HN 0.558 nan 8.210 nan 0.000 0.484 385 N N 4.972 123.720 118.700 0.080 0.000 2.346 385 N HA 0.675 4.377 4.740 -1.730 0.000 0.289 385 N C -1.202 174.309 175.510 0.002 0.000 1.027 385 N CA -0.251 52.746 53.050 -0.089 0.000 0.864 385 N CB 1.404 39.617 38.487 -0.456 0.000 1.370 385 N HN 0.816 nan 8.380 nan 0.000 0.481 386 C N 0.833 120.100 119.300 -0.055 0.000 3.292 386 C HA 0.737 4.160 4.460 -1.730 0.000 0.338 386 C C -0.024 174.930 174.990 -0.061 0.000 1.323 386 C CA -1.136 57.755 59.018 -0.210 0.000 1.232 386 C CB 0.419 28.012 27.740 -0.246 0.000 1.517 386 C HN 0.732 nan 8.230 nan 0.000 0.470 387 S N 0.662 116.127 115.700 -0.392 0.000 2.576 387 S HA 0.458 3.890 4.470 -1.730 0.000 0.272 387 S C 1.172 175.698 174.600 -0.123 0.000 1.352 387 S CA 0.476 58.632 58.200 -0.074 0.000 1.021 387 S CB 0.719 63.820 63.200 -0.164 0.000 0.887 387 S HN 1.832 nan 8.310 nan 0.000 0.542 388 K N 0.973 121.242 120.400 -0.219 0.000 2.147 388 K HA -0.134 3.148 4.320 -1.730 0.000 0.205 388 K C 1.223 177.659 176.600 -0.273 0.000 1.049 388 K CA 1.791 57.722 56.287 -0.593 0.000 0.936 388 K CB -1.433 30.883 32.500 -0.307 0.000 0.722 388 K HN 0.969 nan 8.250 nan 0.000 0.446 389 D N -0.817 119.545 120.400 -0.063 0.000 2.328 389 D HA 0.325 3.928 4.640 -1.730 0.000 0.226 389 D C 0.483 176.848 176.300 0.108 0.000 1.066 389 D CA 0.339 54.367 54.000 0.046 0.000 0.861 389 D CB -0.215 40.668 40.800 0.138 0.000 0.912 389 D HN 0.475 nan 8.370 nan 0.000 0.521 390 A N 0.305 123.125 122.820 0.000 0.000 2.282 390 A HA 0.401 3.683 4.320 -1.730 0.000 0.319 390 A C 0.158 177.737 177.584 -0.009 0.000 1.121 390 A CA -0.865 51.165 52.037 -0.011 0.000 0.836 390 A CB 0.808 19.637 19.000 -0.284 0.000 1.146 390 A HN 0.092 nan 8.150 nan 0.000 0.494 391 K N 2.020 122.426 120.400 0.010 0.000 2.338 391 K HA 0.316 3.598 4.320 -1.730 0.000 0.290 391 K C -0.718 175.867 176.600 -0.024 0.000 1.069 391 K CA -0.221 56.074 56.287 0.013 0.000 0.941 391 K CB 0.098 32.614 32.500 0.026 0.000 1.023 391 K HN 0.433 nan 8.250 nan 0.000 0.477 392 V N 7.985 127.910 119.914 0.018 0.000 2.529 392 V HA 0.052 3.134 4.120 -1.730 0.000 0.292 392 V C -1.680 174.459 176.094 0.074 0.000 1.028 392 V CA -1.223 61.091 62.300 0.023 0.000 1.074 392 V CB 0.483 32.377 31.823 0.119 0.000 0.958 392 V HN 0.833 nan 8.190 nan 0.000 0.481 393 P HA 0.089 nan 4.420 nan 0.000 0.267 393 P C -0.226 177.395 177.300 0.535 0.000 1.209 393 P CA -0.058 63.148 63.100 0.178 0.000 0.763 393 P CB 0.478 32.209 31.700 0.053 0.000 0.816 394 S N 5.272 121.210 115.700 0.396 0.000 2.528 394 S HA 0.352 3.784 4.470 -1.730 0.000 0.277 394 S C -1.730 173.024 174.600 0.257 0.000 1.297 394 S CA -1.172 57.215 58.200 0.313 0.000 1.052 394 S CB -0.144 63.146 63.200 0.150 0.000 0.917 394 S HN 0.393 nan 8.310 nan 0.000 0.492 395 P HA 0.344 nan 4.420 nan 0.000 0.274 395 P C -2.732 174.397 177.300 -0.285 0.000 1.260 395 P CA -1.539 61.101 63.100 -0.766 0.000 0.793 395 P CB -1.022 29.789 31.700 -1.482 0.000 1.048 396 P HA 0.208 nan 4.420 nan 0.000 0.269 396 P C -2.311 174.942 177.300 -0.079 0.000 1.209 396 P CA -0.883 62.138 63.100 -0.133 0.000 0.776 396 P CB -1.280 30.280 31.700 -0.233 0.000 0.876 397 P HA 0.029 nan 4.420 nan 0.000 0.258 397 P C 0.838 178.096 177.300 -0.070 0.000 1.172 397 P CA 1.602 64.675 63.100 -0.044 0.000 0.762 397 P CB -0.185 31.501 31.700 -0.023 0.000 0.764 398 G N 1.309 110.028 108.800 -0.135 0.000 2.131 398 G HA2 -0.161 2.761 3.960 -1.730 0.000 0.223 398 G HA3 -0.161 2.761 3.960 -1.730 0.000 0.223 398 G C 0.047 174.661 174.900 -0.476 0.000 0.990 398 G CA -0.483 44.464 45.100 -0.255 0.000 0.671 398 G HN 0.646 nan 8.290 nan 0.000 0.521 399 H N -0.638 118.302 119.070 -0.216 0.000 2.907 399 H HA 0.667 4.185 4.556 -1.729 0.000 0.361 399 H C -0.341 174.793 175.328 -0.323 0.000 1.194 399 H CA -0.418 55.470 56.048 -0.267 0.000 1.152 399 H CB 2.007 31.555 29.762 -0.357 0.000 1.867 399 H HN 0.184 nan 8.280 nan 0.000 0.561 400 K N 0.560 120.869 120.400 -0.152 0.000 2.435 400 K HA 0.222 3.504 4.320 -1.730 0.000 0.251 400 K C -0.987 175.521 176.600 -0.153 0.000 0.954 400 K CA -0.670 55.492 56.287 -0.209 0.000 0.820 400 K CB 2.327 34.792 32.500 -0.059 0.000 1.292 400 K HN 0.346 nan 8.250 nan 0.000 0.436 401 W N 2.058 123.413 121.300 0.091 0.000 2.129 401 W HA 0.193 3.816 4.660 -1.729 0.000 0.349 401 W C 1.601 178.177 176.519 0.095 0.000 1.279 401 W CA -0.238 57.173 57.345 0.110 0.000 1.306 401 W CB 0.517 30.050 29.460 0.121 0.000 1.140 401 W HN 0.644 nan 8.180 nan 0.000 0.613 402 K N 0.182 120.816 120.400 0.391 0.000 2.097 402 K HA -0.141 3.141 4.320 -1.730 0.000 0.205 402 K C 0.316 177.044 176.600 0.214 0.000 1.050 402 K CA 1.566 57.997 56.287 0.240 0.000 0.938 402 K CB 0.180 32.807 32.500 0.211 0.000 0.718 402 K HN 0.591 nan 8.250 nan 0.000 0.442 403 E N -1.391 118.957 120.200 0.248 0.000 2.417 403 E HA 0.199 3.512 4.350 -1.730 0.000 0.280 403 E C -1.936 174.752 176.600 0.146 0.000 1.112 403 E CA -0.849 55.658 56.400 0.178 0.000 0.863 403 E CB 1.810 31.594 29.700 0.141 0.000 1.346 403 E HN -0.116 nan 8.360 nan 0.000 0.443 404 V N 2.715 122.666 119.914 0.063 0.000 2.462 404 V HA 0.458 3.540 4.120 -1.730 0.000 0.288 404 V C -0.411 175.555 176.094 -0.214 0.000 1.020 404 V CA -0.722 61.547 62.300 -0.052 0.000 0.857 404 V CB 1.158 32.971 31.823 -0.015 0.000 1.013 404 V HN 0.658 nan 8.190 nan 0.000 0.431 405 R N 2.668 123.037 120.500 -0.218 0.000 2.787 405 R HA 0.683 3.985 4.340 -1.730 0.000 0.271 405 R C -1.021 175.022 176.300 -0.428 0.000 0.993 405 R CA -0.792 55.122 56.100 -0.310 0.000 0.993 405 R CB 1.631 31.886 30.300 -0.075 0.000 1.155 405 R HN 0.628 nan 8.270 nan 0.000 0.486 406 H N 0.930 120.029 119.070 0.049 0.000 2.340 406 H HA 0.233 3.751 4.556 -1.730 0.000 0.233 406 H C -1.173 174.204 175.328 0.082 0.000 1.435 406 H CA -0.623 55.488 56.048 0.106 0.000 1.389 406 H CB 0.442 30.262 29.762 0.097 0.000 1.491 406 H HN 0.564 nan 8.280 nan 0.000 0.518 407 D N 1.397 121.853 120.400 0.092 0.000 2.373 407 D HA 0.037 3.639 4.640 -1.730 0.000 0.227 407 D C 0.710 176.890 176.300 -0.200 0.000 1.091 407 D CA -0.421 53.540 54.000 -0.064 0.000 0.840 407 D CB 0.611 41.329 40.800 -0.136 0.000 1.060 407 D HN 0.613 nan 8.370 nan 0.000 0.502 408 N N 1.957 120.328 118.700 -0.549 0.000 2.251 408 N HA 0.038 3.740 4.740 -1.730 0.000 0.217 408 N C 0.459 175.454 175.510 -0.859 0.000 1.124 408 N CA -0.420 51.812 53.050 -1.364 0.000 0.843 408 N CB 0.550 38.017 38.487 -1.701 0.000 1.024 408 N HN 0.004 nan 8.380 nan 0.000 0.501 409 K N 0.711 120.837 120.400 -0.456 0.000 2.358 409 K HA 0.127 3.409 4.320 -1.730 0.000 0.197 409 K C 0.588 177.060 176.600 -0.213 0.000 1.025 409 K CA 0.098 56.212 56.287 -0.289 0.000 1.104 409 K CB 0.667 33.062 32.500 -0.175 0.000 0.855 409 K HN 0.295 nan 8.250 nan 0.000 0.531 410 V N -1.908 117.862 119.914 -0.241 0.000 3.046 410 V HA 0.478 3.560 4.120 -1.730 0.000 0.316 410 V C 0.938 176.980 176.094 -0.087 0.000 1.104 410 V CA -0.621 61.577 62.300 -0.171 0.000 1.006 410 V CB 1.692 33.335 31.823 -0.301 0.000 1.058 410 V HN 0.113 nan 8.190 nan 0.000 0.440 411 T N -1.951 112.593 114.554 -0.017 0.000 3.040 411 T HA 0.199 3.512 4.350 -1.730 0.000 0.250 411 T C 0.464 175.221 174.700 0.096 0.000 1.058 411 T CA -0.064 62.085 62.100 0.082 0.000 0.988 411 T CB -0.094 68.812 68.868 0.064 0.000 0.993 411 T HN 0.938 nan 8.240 nan 0.000 0.519 412 W N 1.197 122.495 121.300 -0.003 0.000 2.303 412 W HA 0.547 4.169 4.660 -1.731 0.000 0.334 412 W C -0.121 176.402 176.519 0.006 0.000 1.197 412 W CA -1.313 56.026 57.345 -0.009 0.000 1.262 412 W CB 0.641 30.106 29.460 0.010 0.000 1.153 412 W HN -0.054 nan 8.180 nan 0.000 0.596 413 L N 1.727 123.086 121.223 0.227 0.000 2.425 413 L HA 0.169 3.471 4.340 -1.730 0.000 0.215 413 L C 0.189 177.177 176.870 0.196 0.000 1.065 413 L CA 0.302 55.086 54.840 -0.093 0.000 0.842 413 L CB -0.365 41.360 42.059 -0.557 0.000 1.033 413 L HN 0.185 nan 8.230 nan 0.000 0.474 414 V N -0.932 119.248 119.914 0.443 0.000 3.049 414 V HA 0.656 3.738 4.120 -1.730 0.000 0.309 414 V C -0.687 175.576 176.094 0.281 0.000 1.148 414 V CA -0.616 61.926 62.300 0.404 0.000 0.990 414 V CB 2.004 33.953 31.823 0.209 0.000 1.039 414 V HN 0.268 nan 8.190 nan 0.000 0.430 415 S N 1.235 116.976 115.700 0.069 0.000 2.547 415 S HA 0.892 4.324 4.470 -1.730 0.000 0.270 415 S C -1.779 172.801 174.600 -0.033 0.000 1.150 415 S CA -0.773 57.209 58.200 -0.364 0.000 0.850 415 S CB 2.109 64.582 63.200 -1.212 0.000 1.118 415 S HN 1.819 nan 8.310 nan 0.000 0.461 416 W N -0.356 120.718 121.300 -0.376 0.000 3.248 416 W HA 0.701 4.323 4.660 -1.730 0.000 0.311 416 W C -1.631 174.731 176.519 -0.262 0.000 1.258 416 W CA -0.837 56.375 57.345 -0.222 0.000 1.191 416 W CB 0.593 29.976 29.460 -0.127 0.000 1.389 416 W HN 0.581 nan 8.180 nan 0.000 0.561 417 T N 3.186 117.756 114.554 0.026 0.000 2.780 417 T HA 0.113 3.426 4.350 -1.730 0.000 0.294 417 T C -0.286 174.436 174.700 0.037 0.000 0.949 417 T CA -0.239 61.807 62.100 -0.090 0.000 1.074 417 T CB 0.869 69.701 68.868 -0.059 0.000 0.910 417 T HN 0.460 nan 8.240 nan 0.000 0.501 418 E N 3.528 123.671 120.200 -0.095 0.000 2.289 418 E HA 0.028 3.340 4.350 -1.730 0.000 0.278 418 E C 0.903 177.480 176.600 -0.038 0.000 1.032 418 E CA -0.474 55.919 56.400 -0.011 0.000 0.854 418 E CB 0.623 30.254 29.700 -0.115 0.000 1.046 418 E HN 0.668 nan 8.360 nan 0.000 0.409 419 N N 6.098 124.789 118.700 -0.014 0.000 2.270 419 N HA -0.168 3.534 4.740 -1.730 0.000 0.181 419 N C 1.773 177.221 175.510 -0.104 0.000 1.016 419 N CA 1.069 54.090 53.050 -0.048 0.000 0.870 419 N CB -0.372 38.099 38.487 -0.028 0.000 0.979 419 N HN 0.547 nan 8.380 nan 0.000 0.431 420 I N 0.112 120.580 120.570 -0.170 0.000 2.252 420 I HA -0.157 2.975 4.170 -1.730 0.000 0.245 420 I C 2.142 178.103 176.117 -0.261 0.000 1.102 420 I CA 1.082 62.218 61.300 -0.274 0.000 1.385 420 I CB -0.093 37.606 38.000 -0.502 0.000 1.064 420 I HN 0.098 nan 8.210 nan 0.000 0.414 421 Q N -0.051 119.608 119.800 -0.235 0.000 2.396 421 Q HA 0.176 3.478 4.340 -1.730 0.000 0.220 421 Q C 1.466 177.402 176.000 -0.107 0.000 0.900 421 Q CA 0.957 56.665 55.803 -0.158 0.000 0.925 421 Q CB 0.729 29.384 28.738 -0.138 0.000 1.065 421 Q HN 0.565 nan 8.270 nan 0.000 0.535 422 G N 2.259 110.993 108.800 -0.110 0.000 2.142 422 G HA2 -0.236 2.686 3.960 -1.730 0.000 0.225 422 G HA3 -0.236 2.686 3.960 -1.730 0.000 0.225 422 G C 0.139 174.977 174.900 -0.102 0.000 1.015 422 G CA 0.494 45.541 45.100 -0.088 0.000 0.716 422 G HN 0.412 nan 8.290 nan 0.000 0.508 423 S N -0.755 114.865 115.700 -0.134 0.000 2.651 423 S HA 0.819 4.251 4.470 -1.730 0.000 0.291 423 S C 0.327 174.759 174.600 -0.280 0.000 1.141 423 S CA -1.035 57.066 58.200 -0.166 0.000 1.027 423 S CB 2.003 65.118 63.200 -0.141 0.000 1.043 423 S HN 0.611 nan 8.310 nan 0.000 0.530 424 I N 1.781 122.133 120.570 -0.364 0.000 2.395 424 I HA 0.355 3.487 4.170 -1.730 0.000 0.289 424 I C 0.211 175.751 176.117 -0.960 0.000 1.023 424 I CA -0.674 60.229 61.300 -0.661 0.000 1.350 424 I CB 0.698 38.254 38.000 -0.741 0.000 1.409 424 I HN 0.389 nan 8.210 nan 0.000 0.507 425 K N 6.000 125.645 120.400 -1.259 0.000 2.164 425 K HA 0.552 3.834 4.320 -1.730 0.000 0.258 425 K C -1.096 174.586 176.600 -1.530 0.000 0.951 425 K CA -0.657 54.783 56.287 -1.411 0.000 0.844 425 K CB 1.824 33.122 32.500 -2.003 0.000 1.099 425 K HN 0.326 nan 8.250 nan 0.000 0.435 426 Y N 0.577 120.437 120.300 -0.733 0.000 2.602 426 Y HA 0.534 4.046 4.550 -1.730 0.000 0.342 426 Y C 0.302 176.074 175.900 -0.213 0.000 1.029 426 Y CA -1.029 56.794 58.100 -0.462 0.000 1.080 426 Y CB 1.607 39.855 38.460 -0.353 0.000 1.284 426 Y HN 0.264 nan 8.280 nan 0.000 0.485 427 I N 3.136 123.809 120.570 0.171 0.000 2.382 427 I HA 0.388 3.521 4.170 -1.730 0.000 0.285 427 I C -0.698 175.506 176.117 0.144 0.000 1.007 427 I CA -0.159 61.236 61.300 0.159 0.000 1.142 427 I CB 0.763 38.874 38.000 0.185 0.000 1.289 427 I HN 0.523 nan 8.210 nan 0.000 0.453 428 M N 5.199 124.858 119.600 0.099 0.000 2.821 428 M HA 0.542 3.984 4.480 -1.730 0.000 0.304 428 M C -0.228 176.095 176.300 0.038 0.000 1.233 428 M CA -0.882 54.463 55.300 0.075 0.000 0.851 428 M CB 2.052 34.690 32.600 0.064 0.000 1.723 428 M HN 0.310 nan 8.290 nan 0.000 0.493 429 L N 0.739 121.977 121.223 0.026 0.000 2.468 429 L HA 0.129 3.431 4.340 -1.730 0.000 0.253 429 L C 0.229 177.107 176.870 0.014 0.000 1.237 429 L CA -0.313 54.535 54.840 0.014 0.000 0.823 429 L CB 0.035 42.106 42.059 0.019 0.000 1.124 429 L HN 0.627 nan 8.230 nan 0.000 0.504 430 N N 0.118 118.822 118.700 0.006 0.000 2.503 430 N HA 0.139 3.841 4.740 -1.730 0.000 0.267 430 N C -1.847 173.671 175.510 0.013 0.000 1.214 430 N CA -1.262 51.788 53.050 0.001 0.000 0.959 430 N CB 1.128 39.608 38.487 -0.011 0.000 1.142 430 N HN 0.179 nan 8.380 nan 0.000 0.455 431 P HA -0.145 nan 4.420 nan 0.000 0.217 431 P C 0.592 177.914 177.300 0.037 0.000 1.148 431 P CA 1.405 64.512 63.100 0.012 0.000 0.828 431 P CB 0.109 31.786 31.700 -0.038 0.000 0.783 432 S N -1.740 113.972 115.700 0.021 0.000 2.561 432 S HA 0.017 3.450 4.470 -1.730 0.000 0.225 432 S C 1.007 175.644 174.600 0.061 0.000 0.977 432 S CA -0.074 58.154 58.200 0.046 0.000 0.926 432 S CB -1.233 61.981 63.200 0.024 0.000 0.769 432 S HN 0.203 nan 8.310 nan 0.000 0.533 433 S N 1.390 117.121 115.700 0.052 0.000 2.584 433 S HA 0.263 3.696 4.470 -1.730 0.000 0.270 433 S C 1.084 175.714 174.600 0.050 0.000 1.346 433 S CA -0.754 57.478 58.200 0.053 0.000 1.018 433 S CB 0.936 64.164 63.200 0.048 0.000 0.899 433 S HN 0.433 nan 8.310 nan 0.000 0.542 434 R N 0.188 120.713 120.500 0.043 0.000 2.070 434 R HA -0.114 3.188 4.340 -1.730 0.000 0.233 434 R C 2.138 178.449 176.300 0.019 0.000 1.137 434 R CA 1.704 57.818 56.100 0.024 0.000 0.945 434 R CB -0.728 29.590 30.300 0.031 0.000 0.845 434 R HN 0.762 nan 8.270 nan 0.000 0.430 435 I N 1.709 122.305 120.570 0.043 0.000 2.248 435 I HA -0.301 2.832 4.170 -1.730 0.000 0.248 435 I C 1.966 178.100 176.117 0.029 0.000 1.107 435 I CA 1.716 63.043 61.300 0.045 0.000 1.373 435 I CB -0.049 37.996 38.000 0.075 0.000 1.055 435 I HN 0.126 nan 8.210 nan 0.000 0.418 436 K N -0.097 120.324 120.400 0.034 0.000 2.067 436 K HA 0.124 3.407 4.320 -1.730 0.000 0.203 436 K C 2.120 178.745 176.600 0.041 0.000 1.048 436 K CA 1.154 57.464 56.287 0.038 0.000 0.954 436 K CB -1.022 31.505 32.500 0.045 0.000 0.737 436 K HN 0.441 nan 8.250 nan 0.000 0.444 437 G N 2.423 111.249 108.800 0.044 0.000 2.440 437 G HA2 -0.310 2.612 3.960 -1.730 0.000 0.218 437 G HA3 -0.310 2.612 3.960 -1.730 0.000 0.218 437 G C 1.451 176.236 174.900 -0.192 0.000 1.154 437 G CA 1.244 46.349 45.100 0.007 0.000 0.767 437 G HN 0.562 nan 8.290 nan 0.000 0.552 438 E N 0.287 120.409 120.200 -0.131 0.000 2.085 438 E HA -0.186 3.126 4.350 -1.730 0.000 0.194 438 E C 2.252 178.838 176.600 -0.024 0.000 0.994 438 E CA 1.115 57.436 56.400 -0.131 0.000 0.801 438 E CB -0.277 29.370 29.700 -0.089 0.000 0.743 438 E HN 0.242 nan 8.360 nan 0.000 0.453 439 K N 0.566 120.958 120.400 -0.012 0.000 2.057 439 K HA -0.177 3.106 4.320 -1.730 0.000 0.207 439 K C 1.911 178.505 176.600 -0.010 0.000 1.049 439 K CA 1.725 58.013 56.287 0.002 0.000 0.931 439 K CB -0.357 32.141 32.500 -0.003 0.000 0.714 439 K HN 0.186 nan 8.250 nan 0.000 0.440 440 D N -0.311 120.096 120.400 0.011 0.000 2.123 440 D HA -0.189 3.413 4.640 -1.730 0.000 0.196 440 D C 1.666 178.018 176.300 0.087 0.000 0.992 440 D CA 1.059 55.120 54.000 0.103 0.000 0.833 440 D CB -0.165 40.828 40.800 0.321 0.000 0.954 440 D HN 0.283 nan 8.370 nan 0.000 0.455 441 W N 1.347 122.359 121.300 -0.480 0.000 2.355 441 W HA -0.152 3.468 4.660 -1.732 0.000 0.309 441 W C 2.372 178.774 176.519 -0.195 0.000 1.206 441 W CA 1.725 58.645 57.345 -0.708 0.000 1.284 441 W CB -0.575 28.284 29.460 -1.002 0.000 1.145 441 W HN -0.006 nan 8.180 nan 0.000 0.502 442 Q N 0.695 120.496 119.800 0.001 0.000 2.061 442 Q HA -0.311 2.991 4.340 -1.730 0.000 0.204 442 Q C 2.395 178.248 176.000 -0.244 0.000 0.984 442 Q CA 2.258 57.964 55.803 -0.161 0.000 0.846 442 Q CB -0.455 28.316 28.738 0.056 0.000 0.902 442 Q HN 0.337 nan 8.270 nan 0.000 0.421 443 K N -0.580 119.701 120.400 -0.198 0.000 2.074 443 K HA -0.222 3.060 4.320 -1.730 0.000 0.209 443 K C 1.781 178.175 176.600 -0.343 0.000 1.048 443 K CA 1.773 57.886 56.287 -0.290 0.000 0.926 443 K CB -0.150 32.110 32.500 -0.399 0.000 0.713 443 K HN 0.259 nan 8.250 nan 0.000 0.444 444 Y N 0.904 121.182 120.300 -0.037 0.000 2.337 444 Y HA -0.060 3.457 4.550 -1.721 0.000 0.293 444 Y C 2.338 178.234 175.900 -0.008 0.000 1.123 444 Y CA 0.681 58.830 58.100 0.083 0.000 1.201 444 Y CB -0.004 38.568 38.460 0.186 0.000 1.011 444 Y HN 0.086 nan 8.280 nan 0.000 0.545 445 E N -0.209 119.884 120.200 -0.178 0.000 2.051 445 E HA -0.152 3.160 4.350 -1.730 0.000 0.192 445 E C 2.186 178.677 176.600 -0.182 0.000 0.991 445 E CA 1.812 58.024 56.400 -0.313 0.000 0.799 445 E CB -0.715 28.577 29.700 -0.681 0.000 0.748 445 E HN 0.370 nan 8.360 nan 0.000 0.449 446 T N 1.236 115.693 114.554 -0.163 0.000 2.759 446 T HA -0.144 3.168 4.350 -1.730 0.000 0.269 446 T C 1.838 176.495 174.700 -0.073 0.000 1.042 446 T CA 1.539 63.568 62.100 -0.117 0.000 1.140 446 T CB -0.176 68.627 68.868 -0.108 0.000 0.864 446 T HN 0.274 nan 8.240 nan 0.000 0.455 447 A N 1.250 124.086 122.820 0.027 0.000 2.016 447 A HA 0.032 3.315 4.320 -1.730 0.000 0.217 447 A C 2.356 180.025 177.584 0.142 0.000 1.162 447 A CA 0.782 52.938 52.037 0.198 0.000 0.662 447 A CB -0.305 18.966 19.000 0.452 0.000 0.812 447 A HN 0.379 nan 8.150 nan 0.000 0.450 448 R N -0.536 119.895 120.500 -0.115 0.000 2.090 448 R HA -0.006 3.296 4.340 -1.730 0.000 0.228 448 R C 2.247 178.369 176.300 -0.297 0.000 1.110 448 R CA 1.178 56.982 56.100 -0.494 0.000 0.973 448 R CB -0.199 29.841 30.300 -0.432 0.000 0.869 448 R HN 0.467 nan 8.270 nan 0.000 0.440 449 R N 0.420 120.799 120.500 -0.201 0.000 2.115 449 R HA -0.085 3.217 4.340 -1.730 0.000 0.230 449 R C 2.150 178.327 176.300 -0.206 0.000 1.111 449 R CA 0.772 56.766 56.100 -0.176 0.000 0.976 449 R CB -0.318 29.895 30.300 -0.143 0.000 0.870 449 R HN 0.100 nan 8.270 nan 0.000 0.445 450 L N 1.610 122.680 121.223 -0.254 0.000 2.141 450 L HA -0.092 3.211 4.340 -1.730 0.000 0.209 450 L C 2.006 178.583 176.870 -0.489 0.000 1.094 450 L CA 1.765 56.360 54.840 -0.409 0.000 0.763 450 L CB -0.359 41.354 42.059 -0.576 0.000 0.908 450 L HN -0.043 nan 8.230 nan 0.000 0.437 451 K N -0.260 119.937 120.400 -0.339 0.000 2.152 451 K HA -0.214 3.068 4.320 -1.730 0.000 0.206 451 K C 1.927 178.454 176.600 -0.123 0.000 1.048 451 K CA 1.578 57.803 56.287 -0.103 0.000 0.933 451 K CB 0.042 32.584 32.500 0.070 0.000 0.721 451 K HN 0.444 nan 8.250 nan 0.000 0.447 452 K N -0.453 119.852 120.400 -0.158 0.000 2.167 452 K HA -0.060 3.222 4.320 -1.730 0.000 0.203 452 K C 1.878 178.408 176.600 -0.116 0.000 1.052 452 K CA 1.268 57.484 56.287 -0.118 0.000 0.956 452 K CB 0.173 32.605 32.500 -0.113 0.000 0.735 452 K HN 0.367 nan 8.250 nan 0.000 0.451 453 C N -1.491 117.716 119.300 -0.154 0.000 2.994 453 C HA 0.347 3.769 4.460 -1.730 0.000 0.284 453 C C 1.916 176.821 174.990 -0.141 0.000 1.404 453 C CA -0.925 58.014 59.018 -0.131 0.000 1.775 453 C CB -0.911 26.757 27.740 -0.120 0.000 2.458 453 C HN 0.100 nan 8.230 nan 0.000 0.593 454 V N 2.515 122.318 119.914 -0.185 0.000 2.427 454 V HA -0.169 2.913 4.120 -1.730 0.000 0.248 454 V C 2.072 178.122 176.094 -0.074 0.000 1.051 454 V CA 2.794 64.999 62.300 -0.159 0.000 1.048 454 V CB -0.319 31.355 31.823 -0.248 0.000 0.666 454 V HN 0.507 nan 8.190 nan 0.000 0.456 455 D N -0.238 120.119 120.400 -0.071 0.000 2.144 455 D HA -0.180 3.423 4.640 -1.730 0.000 0.199 455 D C 2.164 178.403 176.300 -0.102 0.000 0.984 455 D CA 1.385 55.344 54.000 -0.068 0.000 0.834 455 D CB -0.283 40.490 40.800 -0.046 0.000 0.955 455 D HN 0.420 nan 8.370 nan 0.000 0.465 456 K N 1.052 121.397 120.400 -0.093 0.000 2.025 456 K HA -0.108 3.174 4.320 -1.730 0.000 0.207 456 K C 2.045 178.576 176.600 -0.115 0.000 1.049 456 K CA 0.900 57.130 56.287 -0.096 0.000 0.933 456 K CB -0.312 32.142 32.500 -0.077 0.000 0.714 456 K HN 0.194 nan 8.250 nan 0.000 0.438 457 I N 0.923 121.441 120.570 -0.087 0.000 2.286 457 I HA -0.250 2.882 4.170 -1.730 0.000 0.248 457 I C 2.569 178.544 176.117 -0.237 0.000 1.115 457 I CA 1.208 62.485 61.300 -0.038 0.000 1.392 457 I CB -0.177 37.881 38.000 0.097 0.000 1.065 457 I HN 0.200 nan 8.210 nan 0.000 0.418 458 R N 0.354 120.653 120.500 -0.335 0.000 2.115 458 R HA -0.080 3.222 4.340 -1.730 0.000 0.226 458 R C 2.052 177.838 176.300 -0.857 0.000 1.100 458 R CA 1.006 56.626 56.100 -0.799 0.000 0.980 458 R CB -0.255 29.868 30.300 -0.294 0.000 0.875 458 R HN 0.368 nan 8.270 nan 0.000 0.445 459 N N 0.845 119.270 118.700 -0.459 0.000 2.142 459 N HA -0.176 3.526 4.740 -1.730 0.000 0.186 459 N C 1.692 176.977 175.510 -0.375 0.000 1.023 459 N CA 1.073 53.903 53.050 -0.366 0.000 0.852 459 N CB -0.160 38.198 38.487 -0.214 0.000 0.998 459 N HN 0.291 nan 8.380 nan 0.000 0.424 460 Q N -0.005 119.618 119.800 -0.296 0.000 2.050 460 Q HA -0.186 3.117 4.340 -1.730 0.000 0.202 460 Q C 1.939 177.835 176.000 -0.172 0.000 0.980 460 Q CA 1.470 57.166 55.803 -0.178 0.000 0.840 460 Q CB -0.126 28.573 28.738 -0.064 0.000 0.898 460 Q HN 0.610 nan 8.270 nan 0.000 0.424 461 Y N -1.186 119.013 120.300 -0.167 0.000 2.373 461 Y HA 0.108 3.619 4.550 -1.731 0.000 0.293 461 Y C 1.819 177.324 175.900 -0.659 0.000 1.129 461 Y CA 0.629 58.586 58.100 -0.239 0.000 1.226 461 Y CB -0.612 37.792 38.460 -0.095 0.000 1.000 461 Y HN -0.070 nan 8.280 nan 0.000 0.549 462 R N 0.623 120.612 120.500 -0.852 0.000 2.152 462 R HA -0.090 3.212 4.340 -1.730 0.000 0.232 462 R C 2.415 178.209 176.300 -0.843 0.000 1.117 462 R CA 1.637 56.915 56.100 -1.369 0.000 0.981 462 R CB -0.186 29.506 30.300 -1.013 0.000 0.870 462 R HN 0.696 nan 8.270 nan 0.000 0.451 463 E N 0.290 120.225 120.200 -0.442 0.000 2.276 463 E HA -0.053 3.259 4.350 -1.730 0.000 0.193 463 E C 1.212 177.757 176.600 -0.092 0.000 0.983 463 E CA 0.823 57.102 56.400 -0.203 0.000 0.861 463 E CB -0.122 29.491 29.700 -0.146 0.000 0.817 463 E HN 0.282 nan 8.360 nan 0.000 0.485 464 D N -0.308 120.035 120.400 -0.094 0.000 2.350 464 D HA -0.104 3.498 4.640 -1.730 0.000 0.216 464 D C 1.132 177.531 176.300 0.166 0.000 0.968 464 D CA 0.313 54.331 54.000 0.029 0.000 0.894 464 D CB -0.271 40.553 40.800 0.039 0.000 0.909 464 D HN 0.610 nan 8.370 nan 0.000 0.520 465 W N 1.115 122.423 121.300 0.013 0.000 2.468 465 W HA 0.004 3.626 4.660 -1.731 0.000 0.262 465 W C 2.058 178.564 176.519 -0.021 0.000 1.241 465 W CA 0.931 58.268 57.345 -0.014 0.000 1.232 465 W CB -0.669 28.759 29.460 -0.054 0.000 1.124 465 W HN 0.068 nan 8.180 nan 0.000 0.597 466 K N -0.263 120.251 120.400 0.191 0.000 2.455 466 K HA 0.311 3.594 4.320 -1.730 0.000 0.206 466 K C 0.514 177.157 176.600 0.071 0.000 1.027 466 K CA 0.080 56.429 56.287 0.104 0.000 1.113 466 K CB -0.117 32.427 32.500 0.072 0.000 0.850 466 K HN -0.076 nan 8.250 nan 0.000 0.503 467 S N 0.974 116.724 115.700 0.083 0.000 2.573 467 S HA 0.114 3.546 4.470 -1.730 0.000 0.277 467 S C 0.694 175.327 174.600 0.055 0.000 1.346 467 S CA -0.107 58.127 58.200 0.058 0.000 1.034 467 S CB 0.571 63.806 63.200 0.059 0.000 0.879 467 S HN 0.533 nan 8.310 nan 0.000 0.528 468 K N 1.919 122.342 120.400 0.039 0.000 2.504 468 K HA 0.185 3.468 4.320 -1.730 0.000 0.199 468 K C 0.265 176.888 176.600 0.039 0.000 1.028 468 K CA 0.217 56.525 56.287 0.035 0.000 1.164 468 K CB 0.033 32.547 32.500 0.024 0.000 0.877 468 K HN 0.683 nan 8.250 nan 0.000 0.508 469 E N 1.131 121.359 120.200 0.048 0.000 2.241 469 E HA 0.209 3.522 4.350 -1.730 0.000 0.263 469 E C 0.087 176.731 176.600 0.073 0.000 0.882 469 E CA -0.472 55.956 56.400 0.045 0.000 0.769 469 E CB 1.213 30.928 29.700 0.025 0.000 1.185 469 E HN 0.075 nan 8.360 nan 0.000 0.415 470 M N 1.031 120.684 119.600 0.088 0.000 2.159 470 M HA -0.113 3.329 4.480 -1.730 0.000 0.263 470 M C 2.325 178.653 176.300 0.046 0.000 1.063 470 M CA 1.996 57.382 55.300 0.143 0.000 1.110 470 M CB 0.049 32.741 32.600 0.153 0.000 1.374 470 M HN 0.729 nan 8.290 nan 0.000 0.411 471 K N -0.014 120.384 120.400 -0.005 0.000 2.020 471 K HA -0.184 3.099 4.320 -1.730 0.000 0.212 471 K C 1.501 178.066 176.600 -0.060 0.000 1.050 471 K CA 1.915 58.170 56.287 -0.053 0.000 0.929 471 K CB -0.240 32.233 32.500 -0.044 0.000 0.714 471 K HN 0.204 nan 8.250 nan 0.000 0.443 472 V N 1.522 121.421 119.914 -0.026 0.000 2.490 472 V HA -0.213 2.869 4.120 -1.730 0.000 0.250 472 V C 2.459 178.566 176.094 0.022 0.000 1.061 472 V CA 1.857 64.136 62.300 -0.035 0.000 1.064 472 V CB -0.535 31.280 31.823 -0.013 0.000 0.670 472 V HN 0.362 nan 8.190 nan 0.000 0.461 473 R N -0.641 119.925 120.500 0.110 0.000 2.075 473 R HA -0.068 3.235 4.340 -1.730 0.000 0.226 473 R C 2.436 178.879 176.300 0.239 0.000 1.114 473 R CA 0.970 57.223 56.100 0.256 0.000 0.972 473 R CB -0.293 30.249 30.300 0.404 0.000 0.869 473 R HN 0.565 nan 8.270 nan 0.000 0.437 474 Q N 0.794 120.604 119.800 0.016 0.000 2.096 474 Q HA -0.223 3.079 4.340 -1.730 0.000 0.204 474 Q C 2.122 177.948 176.000 -0.290 0.000 0.982 474 Q CA 1.924 57.583 55.803 -0.240 0.000 0.850 474 Q CB -0.236 28.285 28.738 -0.362 0.000 0.901 474 Q HN 0.438 nan 8.270 nan 0.000 0.422 475 R N 0.114 120.472 120.500 -0.235 0.000 2.148 475 R HA 0.104 3.406 4.340 -1.730 0.000 0.223 475 R C 2.069 178.213 176.300 -0.259 0.000 1.088 475 R CA 1.122 57.044 56.100 -0.298 0.000 0.985 475 R CB -0.374 29.773 30.300 -0.255 0.000 0.880 475 R HN 0.108 nan 8.270 nan 0.000 0.451 476 A N 1.100 123.858 122.820 -0.103 0.000 1.970 476 A HA 0.065 3.347 4.320 -1.730 0.000 0.216 476 A C 2.220 179.815 177.584 0.019 0.000 1.170 476 A CA 0.962 53.007 52.037 0.013 0.000 0.645 476 A CB -0.158 18.995 19.000 0.254 0.000 0.816 476 A HN 0.168 nan 8.150 nan 0.000 0.447 477 V N -0.348 119.527 119.914 -0.064 0.000 2.488 477 V HA -0.130 2.953 4.120 -1.730 0.000 0.246 477 V C 2.957 178.679 176.094 -0.620 0.000 1.046 477 V CA 1.578 63.700 62.300 -0.296 0.000 1.053 477 V CB -0.932 30.855 31.823 -0.060 0.000 0.679 477 V HN 0.575 nan 8.190 nan 0.000 0.458 478 A N 0.121 122.546 122.820 -0.658 0.000 1.855 478 A HA -0.163 3.119 4.320 -1.730 0.000 0.215 478 A C 2.125 179.424 177.584 -0.475 0.000 1.191 478 A CA 1.847 53.452 52.037 -0.720 0.000 0.613 478 A CB -0.632 17.802 19.000 -0.944 0.000 0.829 478 A HN 0.418 nan 8.150 nan 0.000 0.442 479 L N -1.338 119.597 121.223 -0.479 0.000 2.187 479 L HA -0.154 3.149 4.340 -1.730 0.000 0.213 479 L C 2.206 178.686 176.870 -0.649 0.000 1.100 479 L CA 2.075 56.583 54.840 -0.553 0.000 0.765 479 L CB -0.970 40.782 42.059 -0.512 0.000 0.904 479 L HN 0.556 nan 8.230 nan 0.000 0.437 480 Y N -0.557 119.284 120.300 -0.764 0.000 2.089 480 Y HA -0.286 3.227 4.550 -1.728 0.000 0.282 480 Y C 2.188 177.982 175.900 -0.177 0.000 1.139 480 Y CA 1.858 59.654 58.100 -0.505 0.000 1.123 480 Y CB -0.733 37.547 38.460 -0.299 0.000 0.980 480 Y HN 0.185 nan 8.280 nan 0.000 0.493 481 F N 0.144 119.959 119.950 -0.224 0.000 2.134 481 F HA -0.210 3.279 4.527 -1.731 0.000 0.299 481 F C 2.513 178.133 175.800 -0.300 0.000 1.097 481 F CA 1.102 58.922 58.000 -0.299 0.000 1.264 481 F CB -1.339 37.604 39.000 -0.095 0.000 1.001 481 F HN 0.097 nan 8.300 nan 0.000 0.479 482 I N -0.158 120.342 120.570 -0.117 0.000 2.163 482 I HA -0.306 2.827 4.170 -1.730 0.000 0.243 482 I C 2.387 178.401 176.117 -0.171 0.000 1.085 482 I CA 1.873 63.061 61.300 -0.187 0.000 1.347 482 I CB -0.415 37.404 38.000 -0.303 0.000 1.044 482 I HN 0.093 nan 8.210 nan 0.000 0.408 483 D N 1.331 121.583 120.400 -0.246 0.000 2.077 483 D HA -0.183 3.419 4.640 -1.730 0.000 0.196 483 D C 2.286 178.647 176.300 0.101 0.000 0.986 483 D CA 2.504 56.507 54.000 0.006 0.000 0.829 483 D CB 0.002 40.857 40.800 0.092 0.000 0.983 483 D HN 0.154 nan 8.370 nan 0.000 0.453 484 K N 0.471 120.861 120.400 -0.018 0.000 2.025 484 K HA 0.036 3.318 4.320 -1.730 0.000 0.207 484 K C 2.506 179.089 176.600 -0.027 0.000 1.049 484 K CA 1.548 57.823 56.287 -0.020 0.000 0.933 484 K CB -1.179 31.207 32.500 -0.191 0.000 0.714 484 K HN 0.353 nan 8.250 nan 0.000 0.438 485 L N -1.378 119.792 121.223 -0.088 0.000 2.509 485 L HA 0.330 3.632 4.340 -1.730 0.000 0.222 485 L C 1.592 178.391 176.870 -0.118 0.000 1.123 485 L CA 0.485 55.256 54.840 -0.115 0.000 0.856 485 L CB 0.156 42.061 42.059 -0.256 0.000 0.985 485 L HN 0.531 nan 8.230 nan 0.000 0.456 486 A N 0.207 122.978 122.820 -0.081 0.000 2.969 486 A HA -0.178 3.105 4.320 -1.730 0.000 0.252 486 A C 0.411 177.921 177.584 -0.123 0.000 1.377 486 A CA 0.260 52.259 52.037 -0.063 0.000 0.859 486 A CB -2.411 16.543 19.000 -0.077 0.000 1.077 486 A HN 0.263 nan 8.150 nan 0.000 0.671 487 L N -0.039 121.081 121.223 -0.173 0.000 2.461 487 L HA 0.232 3.534 4.340 -1.730 0.000 0.272 487 L C 1.392 178.207 176.870 -0.090 0.000 1.197 487 L CA -0.068 54.657 54.840 -0.192 0.000 0.836 487 L CB 0.253 42.180 42.059 -0.220 0.000 1.105 487 L HN 0.462 nan 8.230 nan 0.000 0.477 488 R N 1.296 121.763 120.500 -0.055 0.000 2.582 488 R HA 0.224 3.526 4.340 -1.730 0.000 0.271 488 R C 1.160 177.446 176.300 -0.023 0.000 1.078 488 R CA 0.069 56.166 56.100 -0.005 0.000 1.127 488 R CB 0.724 31.041 30.300 0.027 0.000 1.038 488 R HN 0.828 nan 8.270 nan 0.000 0.500 489 A N 2.257 125.073 122.820 -0.007 0.000 1.909 489 A HA -0.186 3.096 4.320 -1.730 0.000 0.221 489 A C 1.213 178.776 177.584 -0.035 0.000 1.223 489 A CA 2.028 54.049 52.037 -0.026 0.000 0.658 489 A CB -1.121 17.877 19.000 -0.003 0.000 0.831 489 A HN 1.066 nan 8.150 nan 0.000 0.462 490 G N -0.608 108.182 108.800 -0.018 0.000 2.851 490 G HA2 -0.165 2.757 3.960 -1.730 0.000 0.272 490 G HA3 -0.165 2.757 3.960 -1.730 0.000 0.272 490 G C -0.452 174.440 174.900 -0.014 0.000 1.100 490 G CA -0.003 45.083 45.100 -0.024 0.000 1.197 490 G HN 0.675 nan 8.290 nan 0.000 0.561 491 N N 0.524 119.224 118.700 -0.001 0.000 2.467 491 N HA 0.237 3.939 4.740 -1.730 0.000 0.262 491 N C 0.222 175.734 175.510 0.004 0.000 1.234 491 N CA -0.284 52.768 53.050 0.002 0.000 0.952 491 N CB 0.776 39.269 38.487 0.010 0.000 1.158 491 N HN 0.404 nan 8.380 nan 0.000 0.463 492 E N 1.458 121.661 120.200 0.004 0.000 2.338 492 E HA 0.143 3.455 4.350 -1.730 0.000 0.272 492 E C -0.247 176.357 176.600 0.007 0.000 1.029 492 E CA -0.012 56.391 56.400 0.005 0.000 0.872 492 E CB 0.873 30.575 29.700 0.003 0.000 1.015 492 E HN 0.172 nan 8.360 nan 0.000 0.417 493 K N 1.859 122.263 120.400 0.007 0.000 2.159 493 K HA 0.179 3.461 4.320 -1.730 0.000 0.266 493 K C -0.068 176.533 176.600 0.001 0.000 0.975 493 K CA -0.980 55.310 56.287 0.005 0.000 0.865 493 K CB 1.260 33.762 32.500 0.004 0.000 1.087 493 K HN 0.389 nan 8.250 nan 0.000 0.446 494 E N 2.127 122.327 120.200 -0.001 0.000 2.606 494 E HA -0.026 3.286 4.350 -1.730 0.000 0.248 494 E C -0.317 176.281 176.600 -0.003 0.000 1.005 494 E CA 0.505 56.904 56.400 -0.002 0.000 0.946 494 E CB 0.042 29.741 29.700 -0.002 0.000 0.928 494 E HN 0.525 nan 8.360 nan 0.000 0.494 495 E N 3.965 124.165 120.200 0.001 0.000 2.734 495 E HA 0.277 3.589 4.350 -1.730 0.000 0.235 495 E C 1.102 177.706 176.600 0.006 0.000 1.107 495 E CA 0.475 56.877 56.400 0.004 0.000 0.951 495 E CB -1.158 28.546 29.700 0.006 0.000 0.955 495 E HN 1.245 nan 8.360 nan 0.000 0.515 496 G N 0.638 109.441 108.800 0.005 0.000 2.142 496 G HA2 0.062 2.984 3.960 -1.730 0.000 0.225 496 G HA3 0.062 2.984 3.960 -1.730 0.000 0.225 496 G C 0.589 175.496 174.900 0.011 0.000 1.015 496 G CA 1.011 46.118 45.100 0.012 0.000 0.716 496 G HN 1.689 nan 8.290 nan 0.000 0.508 497 E N -1.703 118.491 120.200 -0.009 0.000 2.665 497 E HA 0.520 3.832 4.350 -1.730 0.000 0.225 497 E C 0.993 177.553 176.600 -0.067 0.000 0.922 497 E CA 1.742 58.141 56.400 -0.000 0.000 1.242 497 E CB 0.372 30.077 29.700 0.009 0.000 1.197 497 E HN 1.659 nan 8.360 nan 0.000 0.581 498 T N -3.630 110.824 114.554 -0.167 0.000 2.831 498 T HA 0.807 4.119 4.350 -1.730 0.000 0.287 498 T C 0.386 174.891 174.700 -0.324 0.000 1.070 498 T CA -0.175 61.694 62.100 -0.386 0.000 1.010 498 T CB 1.375 70.154 68.868 -0.149 0.000 1.264 498 T HN 0.786 nan 8.240 nan 0.000 0.532 499 A N 0.229 122.870 122.820 -0.297 0.000 2.332 499 A HA 0.512 3.794 4.320 -1.730 0.000 0.258 499 A C 0.067 177.639 177.584 -0.020 0.000 1.087 499 A CA -0.409 51.577 52.037 -0.085 0.000 0.802 499 A CB -0.156 18.850 19.000 0.009 0.000 1.042 499 A HN 0.840 nan 8.150 nan 0.000 0.489 500 D N 1.314 121.731 120.400 0.027 0.000 2.483 500 D HA 0.351 3.953 4.640 -1.730 0.000 0.220 500 D C 0.006 176.349 176.300 0.071 0.000 1.173 500 D CA 0.249 54.279 54.000 0.051 0.000 0.964 500 D CB -0.165 40.678 40.800 0.072 0.000 1.046 500 D HN 0.559 nan 8.370 nan 0.000 0.517 501 T N -0.494 114.095 114.554 0.058 0.000 2.932 501 T HA 0.737 4.049 4.350 -1.730 0.000 0.289 501 T C 0.191 174.914 174.700 0.038 0.000 1.039 501 T CA -0.883 61.262 62.100 0.075 0.000 1.024 501 T CB 1.755 70.673 68.868 0.083 0.000 1.090 501 T HN 0.103 nan 8.240 nan 0.000 0.496 502 V N -1.634 118.290 119.914 0.017 0.000 3.078 502 V HA 1.024 4.107 4.120 -1.730 0.000 0.311 502 V C 0.146 176.152 176.094 -0.146 0.000 1.138 502 V CA -0.603 61.625 62.300 -0.119 0.000 1.007 502 V CB 1.438 33.060 31.823 -0.335 0.000 1.045 502 V HN 1.290 nan 8.190 nan 0.000 0.432 503 G N -0.911 107.788 108.800 -0.169 0.000 3.119 503 G HA2 0.420 3.342 3.960 -1.730 0.000 0.206 503 G HA3 0.420 3.342 3.960 -1.730 0.000 0.206 503 G C 0.705 175.471 174.900 -0.224 0.000 1.313 503 G CA 0.174 45.191 45.100 -0.139 0.000 1.010 503 G HN 1.138 nan 8.290 nan 0.000 0.578 504 C N -0.965 118.264 119.300 -0.119 0.000 2.473 504 C HA -0.072 3.351 4.460 -1.730 0.000 0.279 504 C C 3.081 178.116 174.990 0.076 0.000 1.250 504 C CA 1.699 60.693 59.018 -0.039 0.000 1.713 504 C CB -1.090 26.626 27.740 -0.039 0.000 2.066 504 C HN 0.603 nan 8.230 nan 0.000 0.474 505 C N 1.521 120.822 119.300 0.002 0.000 2.413 505 C HA -0.073 3.349 4.460 -1.730 0.000 0.277 505 C C 2.998 178.063 174.990 0.125 0.000 1.265 505 C CA 1.856 60.903 59.018 0.047 0.000 1.752 505 C CB -1.471 26.248 27.740 -0.035 0.000 1.998 505 C HN 0.875 nan 8.230 nan 0.000 0.489 506 S N 0.184 115.905 115.700 0.035 0.000 2.562 506 S HA 0.148 3.581 4.470 -1.730 0.000 0.221 506 S C 0.433 175.037 174.600 0.007 0.000 0.975 506 S CA 0.069 58.278 58.200 0.015 0.000 0.918 506 S CB -0.765 62.424 63.200 -0.018 0.000 0.772 506 S HN 0.591 nan 8.310 nan 0.000 0.531 507 L N 2.370 123.585 121.223 -0.015 0.000 2.593 507 L HA 0.053 3.355 4.340 -1.730 0.000 0.287 507 L C 0.974 177.889 176.870 0.076 0.000 1.243 507 L CA 0.340 55.167 54.840 -0.021 0.000 0.890 507 L CB 0.133 42.153 42.059 -0.065 0.000 1.134 507 L HN 0.252 nan 8.230 nan 0.000 0.502 508 R N 1.919 122.592 120.500 0.287 0.000 2.720 508 R HA 0.277 3.579 4.340 -1.730 0.000 0.272 508 R C 0.992 177.169 176.300 -0.205 0.000 0.991 508 R CA -0.972 55.087 56.100 -0.068 0.000 1.010 508 R CB 1.381 31.568 30.300 -0.187 0.000 1.141 508 R HN 0.368 nan 8.270 nan 0.000 0.494 509 V N 1.962 121.753 119.914 -0.205 0.000 2.317 509 V HA -0.315 2.767 4.120 -1.730 0.000 0.251 509 V C 2.155 178.122 176.094 -0.212 0.000 1.065 509 V CA 2.429 64.613 62.300 -0.193 0.000 1.049 509 V CB -0.697 31.036 31.823 -0.150 0.000 0.651 509 V HN 0.847 nan 8.190 nan 0.000 0.450 510 E N -0.856 119.171 120.200 -0.289 0.000 2.409 510 E HA -0.242 3.071 4.350 -1.730 0.000 0.198 510 E C 1.573 178.042 176.600 -0.218 0.000 1.024 510 E CA 1.528 57.772 56.400 -0.259 0.000 0.861 510 E CB -0.482 29.052 29.700 -0.276 0.000 0.788 510 E HN 0.820 nan 8.360 nan 0.000 0.521 511 H N 1.062 120.114 119.070 -0.029 0.000 2.551 511 H HA 0.232 3.751 4.556 -1.729 0.000 0.266 511 H C 0.720 176.043 175.328 -0.008 0.000 0.977 511 H CA 0.347 56.415 56.048 0.033 0.000 1.163 511 H CB 0.070 29.846 29.762 0.023 0.000 1.381 511 H HN 0.281 nan 8.280 nan 0.000 0.581 512 I N -2.198 118.340 120.570 -0.053 0.000 2.686 512 I HA 0.432 3.565 4.170 -1.730 0.000 0.295 512 I C -1.160 174.820 176.117 -0.227 0.000 1.114 512 I CA -1.124 60.038 61.300 -0.230 0.000 1.038 512 I CB 2.531 40.254 38.000 -0.462 0.000 1.238 512 I HN -0.122 nan 8.210 nan 0.000 0.420 513 N N 5.062 123.608 118.700 -0.257 0.000 2.346 513 N HA 0.502 4.204 4.740 -1.730 0.000 0.289 513 N C -1.433 173.775 175.510 -0.504 0.000 1.027 513 N CA -0.535 52.335 53.050 -0.300 0.000 0.864 513 N CB 2.641 41.059 38.487 -0.116 0.000 1.370 513 N HN 0.347 nan 8.380 nan 0.000 0.481 514 L N 2.182 123.072 121.223 -0.556 0.000 2.343 514 L HA 0.420 3.722 4.340 -1.730 0.000 0.275 514 L C -0.187 176.356 176.870 -0.544 0.000 1.056 514 L CA -0.392 54.199 54.840 -0.415 0.000 0.804 514 L CB 0.240 41.999 42.059 -0.499 0.000 1.203 514 L HN 0.504 nan 8.230 nan 0.000 0.440 515 H N 2.170 121.449 119.070 0.349 0.000 3.181 515 H HA 0.240 3.758 4.556 -1.730 0.000 0.331 515 H C -1.942 173.445 175.328 0.098 0.000 0.988 515 H CA -1.168 54.995 56.048 0.191 0.000 1.449 515 H CB 1.588 31.400 29.762 0.084 0.000 1.749 515 H HN 0.374 nan 8.280 nan 0.000 0.501 516 P HA -0.179 nan 4.420 nan 0.000 0.218 516 P C 0.186 177.258 177.300 -0.379 0.000 1.154 516 P CA 2.049 64.979 63.100 -0.283 0.000 0.872 516 P CB 0.432 32.060 31.700 -0.120 0.000 0.790 517 E N -1.135 118.976 120.200 -0.148 0.000 2.321 517 E HA 0.626 3.938 4.350 -1.730 0.000 0.278 517 E C -1.741 174.836 176.600 -0.039 0.000 0.902 517 E CA -0.744 55.573 56.400 -0.138 0.000 0.758 517 E CB 1.093 30.709 29.700 -0.141 0.000 1.213 517 E HN 0.021 nan 8.360 nan 0.000 0.426 518 L N 1.112 122.319 121.223 -0.028 0.000 2.516 518 L HA 0.625 3.928 4.340 -1.730 0.000 0.267 518 L C 0.678 177.534 176.870 -0.023 0.000 0.957 518 L CA 1.319 56.143 54.840 -0.026 0.000 0.860 518 L CB 1.709 43.776 42.059 0.013 0.000 1.265 518 L HN 1.431 nan 8.230 nan 0.000 0.403 519 D N 2.408 122.786 120.400 -0.036 0.000 2.811 519 D HA 0.136 3.738 4.640 -1.730 0.000 0.231 519 D C 1.666 177.955 176.300 -0.018 0.000 1.157 519 D CA 1.912 55.898 54.000 -0.023 0.000 0.716 519 D CB -1.920 38.874 40.800 -0.010 0.000 1.077 519 D HN 2.381 nan 8.370 nan 0.000 0.428 520 G N -3.107 105.676 108.800 -0.028 0.000 2.420 520 G HA2 0.261 3.183 3.960 -1.730 0.000 0.221 520 G HA3 0.261 3.183 3.960 -1.730 0.000 0.221 520 G C 1.112 175.992 174.900 -0.034 0.000 1.117 520 G CA 1.439 46.522 45.100 -0.029 0.000 0.657 520 G HN 2.334 nan 8.290 nan 0.000 0.512 521 Q N 0.556 120.344 119.800 -0.019 0.000 2.428 521 Q HA 0.627 3.930 4.340 -1.730 0.000 0.276 521 Q C 0.244 176.205 176.000 -0.066 0.000 1.059 521 Q CA 1.915 57.709 55.803 -0.014 0.000 0.923 521 Q CB -0.278 28.474 28.738 0.024 0.000 1.283 521 Q HN 2.362 nan 8.270 nan 0.000 0.447 522 E N -0.046 120.098 120.200 -0.093 0.000 2.210 522 E HA 0.586 3.898 4.350 -1.730 0.000 0.266 522 E C -0.756 175.699 176.600 -0.242 0.000 0.883 522 E CA -0.621 55.612 56.400 -0.280 0.000 0.761 522 E CB 0.840 30.327 29.700 -0.354 0.000 1.156 522 E HN 1.413 nan 8.360 nan 0.000 0.412 523 Y N -0.807 119.299 120.300 -0.325 0.000 3.165 523 Y HA -0.159 3.353 4.550 -1.730 0.000 0.187 523 Y C -0.155 175.728 175.900 -0.030 0.000 1.678 523 Y CA -0.165 57.606 58.100 -0.548 0.000 1.249 523 Y CB -2.296 35.911 38.460 -0.421 0.000 1.499 523 Y HN 0.559 nan 8.280 nan 0.000 0.461 524 V N 1.319 121.340 119.914 0.178 0.000 2.370 524 V HA 0.539 3.621 4.120 -1.730 0.000 0.279 524 V C 0.357 176.616 176.094 0.276 0.000 1.029 524 V CA -1.057 61.391 62.300 0.247 0.000 0.870 524 V CB 1.752 33.691 31.823 0.194 0.000 0.984 524 V HN 0.118 nan 8.190 nan 0.000 0.451 525 V N 4.540 124.557 119.914 0.171 0.000 2.383 525 V HA 0.352 3.434 4.120 -1.730 0.000 0.275 525 V C 0.274 176.257 176.094 -0.185 0.000 1.036 525 V CA -0.424 61.816 62.300 -0.099 0.000 0.889 525 V CB 1.547 33.228 31.823 -0.237 0.000 0.985 525 V HN 0.924 nan 8.190 nan 0.000 0.459 526 E N 4.818 124.878 120.200 -0.233 0.000 2.092 526 E HA 0.370 3.683 4.350 -1.730 0.000 0.271 526 E C -1.501 174.930 176.600 -0.282 0.000 0.919 526 E CA -0.524 55.782 56.400 -0.156 0.000 0.760 526 E CB 0.823 30.555 29.700 0.054 0.000 1.106 526 E HN 0.501 nan 8.360 nan 0.000 0.408 527 F N 2.787 122.642 119.950 -0.158 0.000 2.394 527 F HA 0.279 3.769 4.527 -1.728 0.000 0.340 527 F C 0.576 176.297 175.800 -0.132 0.000 1.105 527 F CA -0.392 57.602 58.000 -0.009 0.000 1.124 527 F CB 1.031 40.150 39.000 0.198 0.000 1.145 527 F HN 0.291 nan 8.300 nan 0.000 0.505 528 D N 4.542 125.132 120.400 0.317 0.000 2.470 528 D HA 0.335 3.937 4.640 -1.730 0.000 0.233 528 D C -1.381 175.176 176.300 0.429 0.000 1.372 528 D CA -0.165 53.989 54.000 0.256 0.000 0.994 528 D CB 0.859 41.829 40.800 0.284 0.000 1.377 528 D HN 0.292 nan 8.370 nan 0.000 0.586 529 F N 0.832 120.880 119.950 0.163 0.000 2.773 529 F HA 0.570 4.060 4.527 -1.729 0.000 0.314 529 F C -2.043 173.786 175.800 0.047 0.000 1.160 529 F CA -1.224 56.796 58.000 0.034 0.000 0.920 529 F CB 1.042 39.876 39.000 -0.276 0.000 1.323 529 F HN -0.002 nan 8.300 nan 0.000 0.457 530 L N 2.524 123.879 121.223 0.219 0.000 2.262 530 L HA 0.642 3.945 4.340 -1.730 0.000 0.288 530 L C 0.725 177.717 176.870 0.203 0.000 1.035 530 L CA -0.549 54.362 54.840 0.118 0.000 0.820 530 L CB 0.839 42.965 42.059 0.112 0.000 1.204 530 L HN 1.023 nan 8.230 nan 0.000 0.424 531 G N 2.540 111.404 108.800 0.107 0.000 2.485 531 G HA2 0.103 3.025 3.960 -1.730 0.000 0.260 531 G HA3 0.103 3.025 3.960 -1.730 0.000 0.260 531 G C -0.246 174.723 174.900 0.116 0.000 1.459 531 G CA -0.599 44.603 45.100 0.169 0.000 1.060 531 G HN 0.585 nan 8.290 nan 0.000 0.546 532 K N 0.136 120.597 120.400 0.101 0.000 2.527 532 K HA -0.035 3.247 4.320 -1.730 0.000 0.278 532 K C -0.087 176.566 176.600 0.089 0.000 0.981 532 K CA 0.837 57.180 56.287 0.094 0.000 1.009 532 K CB 0.028 32.586 32.500 0.096 0.000 0.895 532 K HN 0.587 nan 8.250 nan 0.000 0.493 533 D N 1.888 122.344 120.400 0.094 0.000 3.076 533 D HA -0.183 3.419 4.640 -1.730 0.000 0.218 533 D C -0.509 175.839 176.300 0.080 0.000 1.156 533 D CA 1.230 55.284 54.000 0.090 0.000 0.921 533 D CB -1.152 39.697 40.800 0.082 0.000 1.113 533 D HN 0.732 nan 8.370 nan 0.000 0.418 534 S N -1.408 114.341 115.700 0.081 0.000 3.476 534 S HA -0.253 3.179 4.470 -1.730 0.000 0.309 534 S C 0.609 175.240 174.600 0.052 0.000 1.222 534 S CA 0.874 59.118 58.200 0.073 0.000 0.922 534 S CB -1.194 62.051 63.200 0.076 0.000 1.023 534 S HN 0.534 nan 8.310 nan 0.000 0.591 535 I N 1.515 122.111 120.570 0.044 0.000 2.529 535 I HA 0.148 3.280 4.170 -1.730 0.000 0.284 535 I C 0.983 177.096 176.117 -0.006 0.000 1.082 535 I CA -0.054 61.258 61.300 0.021 0.000 1.406 535 I CB 0.569 38.584 38.000 0.026 0.000 1.405 535 I HN 0.180 nan 8.210 nan 0.000 0.548 536 R N 5.815 126.301 120.500 -0.024 0.000 2.340 536 R HA 0.144 3.446 4.340 -1.730 0.000 0.300 536 R C -1.390 174.837 176.300 -0.122 0.000 1.069 536 R CA -0.348 55.717 56.100 -0.058 0.000 0.984 536 R CB 0.603 30.890 30.300 -0.022 0.000 1.003 536 R HN 0.540 nan 8.270 nan 0.000 0.459 537 Y N 5.606 125.653 120.300 -0.422 0.000 2.402 537 Y HA 0.237 3.749 4.550 -1.731 0.000 0.332 537 Y C -1.781 173.886 175.900 -0.389 0.000 0.960 537 Y CA -0.808 56.978 58.100 -0.524 0.000 1.228 537 Y CB 0.537 38.414 38.460 -0.971 0.000 1.120 537 Y HN 0.610 nan 8.280 nan 0.000 0.491 538 Y N 6.387 126.339 120.300 -0.580 0.000 2.393 538 Y HA 0.633 4.145 4.550 -1.731 0.000 0.341 538 Y C -1.188 174.451 175.900 -0.434 0.000 0.988 538 Y CA -0.753 57.154 58.100 -0.323 0.000 1.078 538 Y CB 1.224 39.578 38.460 -0.177 0.000 1.203 538 Y HN 0.767 nan 8.280 nan 0.000 0.453 539 N N 3.012 121.206 118.700 -0.844 0.000 3.049 539 N HA 0.250 3.953 4.740 -1.730 0.000 0.244 539 N C -2.333 173.066 175.510 -0.185 0.000 1.203 539 N CA -0.842 51.993 53.050 -0.359 0.000 0.945 539 N CB 1.441 39.739 38.487 -0.316 0.000 1.616 539 N HN 0.615 nan 8.380 nan 0.000 0.505 540 K N 1.412 121.813 120.400 0.001 0.000 2.367 540 K HA 0.576 3.859 4.320 -1.730 0.000 0.263 540 K C -1.119 175.566 176.600 0.142 0.000 1.000 540 K CA -0.709 55.630 56.287 0.088 0.000 0.891 540 K CB 1.788 34.361 32.500 0.121 0.000 1.117 540 K HN 0.229 nan 8.250 nan 0.000 0.443 541 V N 4.346 124.382 119.914 0.203 0.000 2.448 541 V HA 0.321 3.404 4.120 -1.730 0.000 0.295 541 V C -2.443 173.793 176.094 0.236 0.000 1.025 541 V CA -2.410 60.030 62.300 0.232 0.000 0.859 541 V CB 1.535 33.559 31.823 0.335 0.000 0.988 541 V HN 0.588 nan 8.190 nan 0.000 0.431 542 P HA 0.245 nan 4.420 nan 0.000 0.280 542 P C -0.280 177.183 177.300 0.272 0.000 1.386 542 P CA 0.032 63.259 63.100 0.211 0.000 0.899 542 P CB 0.806 32.601 31.700 0.159 0.000 1.098 543 V N 0.792 120.898 119.914 0.321 0.000 3.109 543 V HA 0.471 3.553 4.120 -1.730 0.000 0.317 543 V C 0.218 176.435 176.094 0.205 0.000 1.074 543 V CA -0.948 61.563 62.300 0.351 0.000 1.033 543 V CB 1.105 33.184 31.823 0.426 0.000 1.111 543 V HN 0.271 nan 8.190 nan 0.000 0.458 544 E N 1.015 121.272 120.200 0.095 0.000 2.290 544 E HA 0.308 3.620 4.350 -1.730 0.000 0.277 544 E C 1.411 177.873 176.600 -0.230 0.000 1.035 544 E CA 0.306 56.690 56.400 -0.027 0.000 0.873 544 E CB 1.363 31.092 29.700 0.048 0.000 1.029 544 E HN 0.851 nan 8.360 nan 0.000 0.419 545 K N 2.872 123.005 120.400 -0.444 0.000 2.081 545 K HA -0.378 2.905 4.320 -1.730 0.000 0.222 545 K C 2.286 178.639 176.600 -0.412 0.000 1.055 545 K CA 3.014 58.789 56.287 -0.853 0.000 0.954 545 K CB -1.823 30.178 32.500 -0.832 0.000 0.732 545 K HN 0.632 nan 8.250 nan 0.000 0.458 546 R N 0.073 120.415 120.500 -0.263 0.000 2.117 546 R HA 0.054 3.356 4.340 -1.730 0.000 0.243 546 R C 2.797 178.882 176.300 -0.357 0.000 1.143 546 R CA 1.955 57.938 56.100 -0.194 0.000 0.968 546 R CB -1.421 28.881 30.300 0.003 0.000 0.863 546 R HN 0.504 nan 8.270 nan 0.000 0.444 547 V N -0.344 119.216 119.914 -0.591 0.000 2.379 547 V HA -0.072 3.010 4.120 -1.730 0.000 0.245 547 V C 2.222 178.122 176.094 -0.324 0.000 1.044 547 V CA 1.668 63.523 62.300 -0.741 0.000 1.036 547 V CB -0.537 30.601 31.823 -1.142 0.000 0.664 547 V HN 0.625 nan 8.190 nan 0.000 0.453 548 F N 1.181 120.943 119.950 -0.313 0.000 2.126 548 F HA -0.213 3.275 4.527 -1.730 0.000 0.299 548 F C 2.389 178.074 175.800 -0.192 0.000 1.096 548 F CA 1.815 59.716 58.000 -0.165 0.000 1.255 548 F CB -0.146 38.800 39.000 -0.090 0.000 0.997 548 F HN -0.005 nan 8.300 nan 0.000 0.479 549 K N 0.560 120.925 120.400 -0.058 0.000 2.057 549 K HA -0.136 3.146 4.320 -1.730 0.000 0.206 549 K C 1.859 178.248 176.600 -0.351 0.000 1.050 549 K CA 1.217 57.419 56.287 -0.141 0.000 0.935 549 K CB -1.033 31.423 32.500 -0.074 0.000 0.715 549 K HN 0.313 nan 8.250 nan 0.000 0.439 550 N N 1.333 119.767 118.700 -0.443 0.000 2.104 550 N HA -0.133 3.569 4.740 -1.730 0.000 0.190 550 N C 1.948 176.833 175.510 -1.042 0.000 1.024 550 N CA 0.905 53.493 53.050 -0.770 0.000 0.853 550 N CB -0.323 37.751 38.487 -0.689 0.000 1.008 550 N HN 0.144 nan 8.380 nan 0.000 0.424 551 L N 1.224 122.077 121.223 -0.617 0.000 2.127 551 L HA -0.198 3.104 4.340 -1.730 0.000 0.211 551 L C 2.268 178.893 176.870 -0.409 0.000 1.089 551 L CA 1.144 55.738 54.840 -0.410 0.000 0.757 551 L CB -0.277 41.608 42.059 -0.290 0.000 0.899 551 L HN 0.268 nan 8.230 nan 0.000 0.434 552 Q N -0.827 118.696 119.800 -0.461 0.000 2.137 552 Q HA -0.179 3.123 4.340 -1.730 0.000 0.198 552 Q C 2.189 178.042 176.000 -0.246 0.000 0.960 552 Q CA 0.810 56.412 55.803 -0.334 0.000 0.847 552 Q CB -0.135 28.429 28.738 -0.291 0.000 0.915 552 Q HN 0.321 nan 8.270 nan 0.000 0.448 553 L N 0.208 121.233 121.223 -0.330 0.000 2.083 553 L HA -0.132 3.170 4.340 -1.730 0.000 0.209 553 L C 1.640 178.474 176.870 -0.061 0.000 1.083 553 L CA 1.697 56.395 54.840 -0.237 0.000 0.752 553 L CB -0.374 41.471 42.059 -0.357 0.000 0.899 553 L HN 0.080 nan 8.230 nan 0.000 0.433 554 F N -1.051 118.832 119.950 -0.112 0.000 2.558 554 F HA -0.003 3.486 4.527 -1.730 0.000 0.298 554 F C 2.201 177.915 175.800 -0.144 0.000 1.119 554 F CA 0.643 58.572 58.000 -0.120 0.000 1.451 554 F CB -0.982 37.928 39.000 -0.151 0.000 1.091 554 F HN 0.141 nan 8.300 nan 0.000 0.563 555 M N -0.188 119.413 119.600 0.001 0.000 2.476 555 M HA 0.079 3.521 4.480 -1.730 0.000 0.262 555 M C 1.121 177.391 176.300 -0.049 0.000 1.111 555 M CA 0.545 55.809 55.300 -0.060 0.000 1.127 555 M CB -1.026 31.503 32.600 -0.119 0.000 1.376 555 M HN 0.064 nan 8.290 nan 0.000 0.465 556 E N 2.257 122.435 120.200 -0.036 0.000 2.502 556 E HA -0.040 3.272 4.350 -1.730 0.000 0.261 556 E C 0.531 177.118 176.600 -0.021 0.000 0.974 556 E CA 0.140 56.522 56.400 -0.030 0.000 0.936 556 E CB -0.580 29.106 29.700 -0.024 0.000 0.926 556 E HN 0.580 nan 8.360 nan 0.000 0.459 557 N N 0.101 118.786 118.700 -0.024 0.000 2.778 557 N HA -0.177 3.526 4.740 -1.730 0.000 0.249 557 N C -0.459 175.035 175.510 -0.025 0.000 1.069 557 N CA 1.711 54.748 53.050 -0.021 0.000 0.831 557 N CB -1.141 37.338 38.487 -0.013 0.000 1.142 557 N HN 0.742 nan 8.380 nan 0.000 0.573 558 K N 0.607 120.986 120.400 -0.035 0.000 2.118 558 K HA 0.338 3.621 4.320 -1.730 0.000 0.254 558 K C 0.450 177.021 176.600 -0.048 0.000 0.961 558 K CA -0.661 55.600 56.287 -0.043 0.000 0.876 558 K CB 1.099 33.567 32.500 -0.053 0.000 1.077 558 K HN -0.067 nan 8.250 nan 0.000 0.440 559 Q N 1.050 120.821 119.800 -0.049 0.000 2.221 559 Q HA 0.176 3.479 4.340 -1.730 0.000 0.242 559 Q C -1.910 174.049 176.000 -0.068 0.000 0.940 559 Q CA -2.193 53.580 55.803 -0.049 0.000 0.896 559 Q CB 0.537 29.252 28.738 -0.039 0.000 1.226 559 Q HN 0.286 nan 8.270 nan 0.000 0.463 560 P HA -0.200 nan 4.420 nan 0.000 0.217 560 P C 0.137 177.365 177.300 -0.121 0.000 1.151 560 P CA 1.535 64.577 63.100 -0.097 0.000 0.849 560 P CB 0.364 32.019 31.700 -0.076 0.000 0.787 561 E N -1.188 118.960 120.200 -0.087 0.000 2.511 561 E HA -0.001 3.311 4.350 -1.730 0.000 0.196 561 E C 0.279 176.835 176.600 -0.073 0.000 1.066 561 E CA 0.405 56.758 56.400 -0.078 0.000 0.871 561 E CB -0.734 28.939 29.700 -0.044 0.000 0.863 561 E HN 0.357 nan 8.360 nan 0.000 0.520 562 D N 1.028 121.381 120.400 -0.079 0.000 2.358 562 D HA 0.092 3.694 4.640 -1.730 0.000 0.244 562 D C -0.290 175.959 176.300 -0.085 0.000 1.163 562 D CA -0.226 53.732 54.000 -0.070 0.000 0.945 562 D CB 0.558 41.319 40.800 -0.065 0.000 1.152 562 D HN -0.128 nan 8.370 nan 0.000 0.451 563 D N 0.502 120.859 120.400 -0.071 0.000 2.304 563 D HA 0.046 3.648 4.640 -1.730 0.000 0.250 563 D C 1.032 177.249 176.300 -0.138 0.000 1.107 563 D CA -0.442 53.511 54.000 -0.078 0.000 0.885 563 D CB 1.361 42.136 40.800 -0.042 0.000 1.192 563 D HN 0.124 nan 8.370 nan 0.000 0.436 564 L N 2.643 123.733 121.223 -0.223 0.000 1.988 564 L HA 0.020 3.323 4.340 -1.730 0.000 0.207 564 L C 0.741 177.319 176.870 -0.487 0.000 1.071 564 L CA 1.682 56.271 54.840 -0.420 0.000 0.744 564 L CB -0.247 41.393 42.059 -0.698 0.000 0.893 564 L HN 0.286 nan 8.230 nan 0.000 0.433 565 F N 1.816 121.683 119.950 -0.137 0.000 2.759 565 F HA 0.211 3.700 4.527 -1.730 0.000 0.322 565 F C 0.693 176.374 175.800 -0.197 0.000 1.199 565 F CA -1.702 56.153 58.000 -0.241 0.000 1.272 565 F CB -1.445 37.443 39.000 -0.186 0.000 1.467 565 F HN 0.223 nan 8.300 nan 0.000 0.561 566 D N -0.152 120.208 120.400 -0.067 0.000 2.352 566 D HA 0.134 3.736 4.640 -1.730 0.000 0.238 566 D C 1.244 177.505 176.300 -0.064 0.000 1.286 566 D CA 0.439 54.408 54.000 -0.053 0.000 0.923 566 D CB 0.394 41.157 40.800 -0.062 0.000 1.146 566 D HN 0.444 nan 8.370 nan 0.000 0.471 567 R N -1.450 119.021 120.500 -0.049 0.000 3.953 567 R HA -0.124 3.178 4.340 -1.730 0.000 0.340 567 R C -0.007 176.256 176.300 -0.062 0.000 1.195 567 R CA 1.491 57.558 56.100 -0.054 0.000 0.929 567 R CB -2.538 27.723 30.300 -0.066 0.000 1.402 567 R HN 0.666 nan 8.270 nan 0.000 0.540 568 L N -0.041 121.152 121.223 -0.050 0.000 2.549 568 L HA 0.730 4.032 4.340 -1.730 0.000 0.259 568 L C -1.548 175.295 176.870 -0.046 0.000 0.934 568 L CA -0.013 54.788 54.840 -0.066 0.000 0.865 568 L CB 2.350 44.343 42.059 -0.110 0.000 1.352 568 L HN 0.862 nan 8.230 nan 0.000 0.410 569 N N -0.046 118.621 118.700 -0.056 0.000 2.853 569 N HA 0.414 4.117 4.740 -1.730 0.000 0.258 569 N C 0.408 175.887 175.510 -0.050 0.000 1.444 569 N CA 0.042 53.068 53.050 -0.041 0.000 0.837 569 N CB 0.843 39.316 38.487 -0.023 0.000 1.489 569 N HN 0.478 nan 8.380 nan 0.000 0.529 570 T N -4.043 110.489 114.554 -0.037 0.000 2.833 570 T HA 0.009 3.322 4.350 -1.730 0.000 0.269 570 T C 1.797 176.487 174.700 -0.016 0.000 1.054 570 T CA 1.339 63.421 62.100 -0.031 0.000 1.135 570 T CB -1.208 67.649 68.868 -0.018 0.000 0.869 570 T HN 0.671 nan 8.240 nan 0.000 0.466 571 G N 1.463 110.256 108.800 -0.011 0.000 2.418 571 G HA2 -0.043 2.880 3.960 -1.730 0.000 0.217 571 G HA3 -0.043 2.880 3.960 -1.730 0.000 0.217 571 G C 1.532 176.432 174.900 0.001 0.000 1.158 571 G CA 0.704 45.803 45.100 -0.003 0.000 0.771 571 G HN 0.551 nan 8.290 nan 0.000 0.545 572 I N -0.082 120.482 120.570 -0.010 0.000 2.142 572 I HA -0.117 3.016 4.170 -1.730 0.000 0.240 572 I C 2.590 178.711 176.117 0.007 0.000 1.078 572 I CA 0.607 61.902 61.300 -0.009 0.000 1.343 572 I CB -0.228 37.751 38.000 -0.036 0.000 1.046 572 I HN 0.172 nan 8.210 nan 0.000 0.405 573 L N 1.155 122.365 121.223 -0.021 0.000 1.989 573 L HA -0.249 3.053 4.340 -1.730 0.000 0.211 573 L C 2.099 179.003 176.870 0.056 0.000 1.071 573 L CA 2.078 56.911 54.840 -0.011 0.000 0.749 573 L CB -0.860 41.155 42.059 -0.074 0.000 0.890 573 L HN 0.187 nan 8.230 nan 0.000 0.431 574 N N -0.360 118.359 118.700 0.032 0.000 2.223 574 N HA -0.198 3.504 4.740 -1.730 0.000 0.185 574 N C 1.766 177.302 175.510 0.044 0.000 1.016 574 N CA 1.130 54.206 53.050 0.043 0.000 0.863 574 N CB -0.266 38.238 38.487 0.028 0.000 0.983 574 N HN 0.272 nan 8.380 nan 0.000 0.429 575 K N 0.490 120.917 120.400 0.046 0.000 2.063 575 K HA -0.157 3.125 4.320 -1.730 0.000 0.208 575 K C 2.041 178.676 176.600 0.058 0.000 1.048 575 K CA 1.401 57.713 56.287 0.041 0.000 0.928 575 K CB -0.562 31.962 32.500 0.041 0.000 0.713 575 K HN 0.407 nan 8.250 nan 0.000 0.442 576 H N 0.214 119.282 119.070 -0.003 0.000 2.326 576 H HA -0.071 3.447 4.556 -1.730 0.000 0.301 576 H C 1.952 177.292 175.328 0.019 0.000 1.081 576 H CA 1.961 58.011 56.048 0.003 0.000 1.334 576 H CB -0.054 29.705 29.762 -0.005 0.000 1.385 576 H HN 0.180 nan 8.280 nan 0.000 0.504 577 L N 0.734 121.929 121.223 -0.046 0.000 2.043 577 L HA -0.244 3.058 4.340 -1.730 0.000 0.212 577 L C 2.956 179.780 176.870 -0.076 0.000 1.075 577 L CA 1.272 56.085 54.840 -0.045 0.000 0.752 577 L CB -0.486 41.630 42.059 0.095 0.000 0.891 577 L HN 0.362 nan 8.230 nan 0.000 0.432 578 Q N -0.051 119.721 119.800 -0.047 0.000 2.124 578 Q HA -0.227 3.075 4.340 -1.730 0.000 0.202 578 Q C 2.103 178.060 176.000 -0.071 0.000 0.977 578 Q CA 2.055 57.831 55.803 -0.045 0.000 0.850 578 Q CB -0.631 28.094 28.738 -0.022 0.000 0.901 578 Q HN 0.753 nan 8.270 nan 0.000 0.429 579 D N 0.657 120.996 120.400 -0.102 0.000 2.219 579 D HA -0.038 3.564 4.640 -1.730 0.000 0.205 579 D C 2.034 178.259 176.300 -0.125 0.000 0.970 579 D CA 0.946 54.885 54.000 -0.102 0.000 0.851 579 D CB -0.237 40.503 40.800 -0.100 0.000 0.943 579 D HN 0.185 nan 8.370 nan 0.000 0.488 580 L N -2.046 119.071 121.223 -0.177 0.000 2.209 580 L HA 0.305 3.607 4.340 -1.730 0.000 0.207 580 L C 1.267 178.079 176.870 -0.098 0.000 1.094 580 L CA 0.542 55.294 54.840 -0.146 0.000 0.790 580 L CB 0.112 42.064 42.059 -0.177 0.000 0.932 580 L HN 0.354 nan 8.230 nan 0.000 0.447 581 M N 0.249 119.796 119.600 -0.088 0.000 2.307 581 M HA 0.285 3.727 4.480 -1.730 0.000 0.279 581 M C -0.933 175.328 176.300 -0.065 0.000 1.080 581 M CA -0.237 55.016 55.300 -0.078 0.000 0.964 581 M CB 1.696 34.239 32.600 -0.094 0.000 1.825 581 M HN -0.036 nan 8.290 nan 0.000 0.489 582 E N 1.986 122.152 120.200 -0.058 0.000 2.417 582 E HA 0.459 3.771 4.350 -1.730 0.000 0.261 582 E C 0.996 177.567 176.600 -0.048 0.000 1.000 582 E CA 0.537 56.909 56.400 -0.046 0.000 0.919 582 E CB 0.029 29.705 29.700 -0.040 0.000 0.955 582 E HN 1.594 nan 8.360 nan 0.000 0.455 583 G N 1.173 109.950 108.800 -0.038 0.000 2.157 583 G HA2 -0.104 2.818 3.960 -1.730 0.000 0.248 583 G HA3 -0.104 2.818 3.960 -1.730 0.000 0.248 583 G C 0.262 175.142 174.900 -0.034 0.000 0.979 583 G CA 0.240 45.318 45.100 -0.037 0.000 0.650 583 G HN 1.363 nan 8.290 nan 0.000 0.529 584 L N 2.508 123.713 121.223 -0.029 0.000 2.305 584 L HA 0.820 4.122 4.340 -1.730 0.000 0.281 584 L C 0.611 177.509 176.870 0.045 0.000 1.085 584 L CA 0.708 55.542 54.840 -0.010 0.000 0.813 584 L CB 1.345 43.389 42.059 -0.024 0.000 1.157 584 L HN 0.653 nan 8.230 nan 0.000 0.436 585 T N 1.223 115.832 114.554 0.090 0.000 2.816 585 T HA 0.657 3.969 4.350 -1.730 0.000 0.299 585 T C 0.865 175.694 174.700 0.216 0.000 1.230 585 T CA -0.305 61.865 62.100 0.117 0.000 1.007 585 T CB 1.030 69.937 68.868 0.065 0.000 1.289 585 T HN 0.671 nan 8.240 nan 0.000 0.508 586 A N 1.655 124.570 122.820 0.159 0.000 1.884 586 A HA -0.203 3.079 4.320 -1.730 0.000 0.219 586 A C 2.182 179.902 177.584 0.226 0.000 1.197 586 A CA 2.640 54.764 52.037 0.144 0.000 0.637 586 A CB -1.238 17.781 19.000 0.033 0.000 0.827 586 A HN 1.040 nan 8.150 nan 0.000 0.450 587 K N -0.511 119.992 120.400 0.171 0.000 2.209 587 K HA -0.058 3.224 4.320 -1.730 0.000 0.204 587 K C 1.514 178.250 176.600 0.226 0.000 1.048 587 K CA 1.573 57.973 56.287 0.189 0.000 0.940 587 K CB -0.717 31.860 32.500 0.128 0.000 0.729 587 K HN 0.226 nan 8.250 nan 0.000 0.451 588 V N 1.080 121.113 119.914 0.198 0.000 2.469 588 V HA -0.209 2.873 4.120 -1.730 0.000 0.251 588 V C 1.999 178.218 176.094 0.207 0.000 1.064 588 V CA 1.609 63.992 62.300 0.138 0.000 1.066 588 V CB -0.779 31.060 31.823 0.027 0.000 0.667 588 V HN 0.199 nan 8.190 nan 0.000 0.461 589 F N 0.512 120.552 119.950 0.151 0.000 2.134 589 F HA -0.118 3.371 4.527 -1.730 0.000 0.299 589 F C 2.589 178.548 175.800 0.266 0.000 1.097 589 F CA 1.594 59.717 58.000 0.205 0.000 1.264 589 F CB -0.470 38.609 39.000 0.132 0.000 1.001 589 F HN 0.000 nan 8.300 nan 0.000 0.479 590 R N -0.370 120.373 120.500 0.404 0.000 2.083 590 R HA -0.142 3.160 4.340 -1.730 0.000 0.237 590 R C 2.098 178.635 176.300 0.395 0.000 1.137 590 R CA 2.066 58.357 56.100 0.319 0.000 0.951 590 R CB -1.264 29.222 30.300 0.309 0.000 0.851 590 R HN 0.248 nan 8.270 nan 0.000 0.434 591 T N 0.752 115.587 114.554 0.468 0.000 2.622 591 T HA -0.250 3.062 4.350 -1.730 0.000 0.266 591 T C 1.598 176.476 174.700 0.296 0.000 1.047 591 T CA 1.763 64.114 62.100 0.418 0.000 1.159 591 T CB -0.654 68.329 68.868 0.192 0.000 0.863 591 T HN 0.349 nan 8.240 nan 0.000 0.422 592 Y N 2.687 123.119 120.300 0.219 0.000 2.081 592 Y HA -0.250 3.266 4.550 -1.722 0.000 0.280 592 Y C 2.218 178.209 175.900 0.152 0.000 1.163 592 Y CA 1.686 59.934 58.100 0.247 0.000 1.135 592 Y CB -0.707 37.861 38.460 0.180 0.000 0.970 592 Y HN 0.092 nan 8.280 nan 0.000 0.498 593 N N 0.255 119.000 118.700 0.075 0.000 2.166 593 N HA -0.151 3.552 4.740 -1.730 0.000 0.186 593 N C 1.872 177.314 175.510 -0.114 0.000 1.019 593 N CA 1.499 54.528 53.050 -0.035 0.000 0.856 593 N CB -0.577 38.010 38.487 0.167 0.000 0.993 593 N HN 0.573 nan 8.380 nan 0.000 0.426 594 A N -0.329 122.468 122.820 -0.039 0.000 1.872 594 A HA -0.021 3.261 4.320 -1.730 0.000 0.214 594 A C 2.362 179.852 177.584 -0.157 0.000 1.187 594 A CA 1.556 53.564 52.037 -0.048 0.000 0.614 594 A CB -0.736 18.322 19.000 0.096 0.000 0.826 594 A HN 0.233 nan 8.150 nan 0.000 0.442 595 S N -0.400 115.143 115.700 -0.260 0.000 2.368 595 S HA -0.130 3.302 4.470 -1.730 0.000 0.225 595 S C 1.830 176.051 174.600 -0.630 0.000 1.030 595 S CA 1.412 59.284 58.200 -0.547 0.000 0.999 595 S CB -0.377 62.236 63.200 -0.978 0.000 0.844 595 S HN 0.458 nan 8.310 nan 0.000 0.459 596 I N 1.851 122.049 120.570 -0.620 0.000 2.394 596 I HA -0.125 3.007 4.170 -1.730 0.000 0.251 596 I C 2.144 178.134 176.117 -0.211 0.000 1.136 596 I CA 1.377 62.462 61.300 -0.358 0.000 1.425 596 I CB -0.870 36.866 38.000 -0.440 0.000 1.079 596 I HN 0.191 nan 8.210 nan 0.000 0.425 597 T N 0.481 114.909 114.554 -0.210 0.000 2.701 597 T HA -0.150 3.162 4.350 -1.730 0.000 0.263 597 T C 1.852 176.460 174.700 -0.153 0.000 1.040 597 T CA 1.681 63.697 62.100 -0.140 0.000 1.147 597 T CB -0.447 68.350 68.868 -0.118 0.000 0.865 597 T HN 0.319 nan 8.240 nan 0.000 0.426 598 L N 1.141 122.247 121.223 -0.195 0.000 2.042 598 L HA -0.102 3.200 4.340 -1.730 0.000 0.210 598 L C 2.604 179.348 176.870 -0.210 0.000 1.076 598 L CA 1.879 56.576 54.840 -0.238 0.000 0.749 598 L CB -0.587 41.313 42.059 -0.265 0.000 0.893 598 L HN 0.261 nan 8.230 nan 0.000 0.432 599 Q N -1.355 118.350 119.800 -0.158 0.000 2.119 599 Q HA -0.250 3.052 4.340 -1.730 0.000 0.201 599 Q C 2.295 178.278 176.000 -0.028 0.000 0.972 599 Q CA 1.542 57.304 55.803 -0.068 0.000 0.847 599 Q CB -0.241 28.483 28.738 -0.023 0.000 0.903 599 Q HN 0.611 nan 8.270 nan 0.000 0.433 600 Q N -0.241 119.533 119.800 -0.044 0.000 2.079 600 Q HA -0.181 3.121 4.340 -1.730 0.000 0.200 600 Q C 1.952 177.941 176.000 -0.018 0.000 0.974 600 Q CA 1.335 57.130 55.803 -0.014 0.000 0.840 600 Q CB 0.135 28.862 28.738 -0.019 0.000 0.898 600 Q HN 0.464 nan 8.270 nan 0.000 0.430 601 Q N 0.142 119.902 119.800 -0.067 0.000 2.172 601 Q HA -0.014 3.288 4.340 -1.730 0.000 0.200 601 Q C 2.248 178.199 176.000 -0.083 0.000 0.964 601 Q CA 0.627 56.381 55.803 -0.082 0.000 0.855 601 Q CB -0.136 28.522 28.738 -0.134 0.000 0.918 601 Q HN 0.408 nan 8.270 nan 0.000 0.444 602 L N 0.303 121.454 121.223 -0.120 0.000 2.275 602 L HA -0.109 3.193 4.340 -1.730 0.000 0.215 602 L C 2.364 179.346 176.870 0.188 0.000 1.119 602 L CA 0.940 55.714 54.840 -0.110 0.000 0.790 602 L CB -0.154 41.727 42.059 -0.297 0.000 0.919 602 L HN 0.152 nan 8.230 nan 0.000 0.443 603 K N -0.266 120.226 120.400 0.155 0.000 2.323 603 K HA -0.094 3.188 4.320 -1.730 0.000 0.197 603 K C 1.898 178.593 176.600 0.157 0.000 1.043 603 K CA 0.418 56.838 56.287 0.222 0.000 0.997 603 K CB 0.417 33.015 32.500 0.163 0.000 0.807 603 K HN 0.197 nan 8.250 nan 0.000 0.497 604 E N 0.195 120.446 120.200 0.084 0.000 2.166 604 E HA -0.008 3.304 4.350 -1.730 0.000 0.192 604 E C 1.528 178.150 176.600 0.037 0.000 0.967 604 E CA 0.336 56.769 56.400 0.055 0.000 0.840 604 E CB 0.360 30.075 29.700 0.026 0.000 0.795 604 E HN 0.223 nan 8.360 nan 0.000 0.470 605 L N 0.385 121.621 121.223 0.021 0.000 2.513 605 L HA 0.144 3.446 4.340 -1.730 0.000 0.222 605 L C 0.715 177.587 176.870 0.003 0.000 1.096 605 L CA 0.116 54.955 54.840 -0.001 0.000 0.857 605 L CB 0.397 42.437 42.059 -0.032 0.000 1.026 605 L HN -0.115 nan 8.230 nan 0.000 0.469 606 T N 2.482 117.065 114.554 0.048 0.000 2.775 606 T HA 0.349 3.661 4.350 -1.730 0.000 0.281 606 T C 0.583 175.169 174.700 -0.190 0.000 0.908 606 T CA -0.284 61.804 62.100 -0.020 0.000 1.123 606 T CB 0.571 69.541 68.868 0.170 0.000 0.879 606 T HN 0.253 nan 8.240 nan 0.000 0.547 607 A N 6.527 129.219 122.820 -0.212 0.000 2.520 607 A HA 0.324 3.606 4.320 -1.730 0.000 0.245 607 A C -1.005 176.338 177.584 -0.402 0.000 1.072 607 A CA -1.166 50.746 52.037 -0.208 0.000 0.761 607 A CB 0.136 19.051 19.000 -0.142 0.000 1.004 607 A HN 0.461 nan 8.150 nan 0.000 0.499 608 P HA -0.023 nan 4.420 nan 0.000 0.215 608 P C 0.883 178.107 177.300 -0.127 0.000 1.157 608 P CA 1.991 64.985 63.100 -0.177 0.000 0.863 608 P CB 0.122 31.878 31.700 0.094 0.000 0.787 609 D N -2.139 118.211 120.400 -0.083 0.000 2.587 609 D HA 0.411 4.013 4.640 -1.730 0.000 0.233 609 D C 0.755 177.008 176.300 -0.078 0.000 1.213 609 D CA 0.210 54.181 54.000 -0.047 0.000 0.827 609 D CB -0.734 40.060 40.800 -0.010 0.000 1.006 609 D HN 0.279 nan 8.370 nan 0.000 0.490 610 E N 0.819 120.932 120.200 -0.145 0.000 3.218 610 E HA 0.559 3.871 4.350 -1.730 0.000 0.265 610 E C 0.266 176.805 176.600 -0.102 0.000 1.393 610 E CA -0.099 56.227 56.400 -0.122 0.000 1.160 610 E CB 0.159 29.765 29.700 -0.156 0.000 1.272 610 E HN 0.616 nan 8.360 nan 0.000 0.720 611 N N -0.454 118.199 118.700 -0.078 0.000 2.292 611 N HA 0.247 3.949 4.740 -1.730 0.000 0.303 611 N C 0.730 176.209 175.510 -0.050 0.000 1.140 611 N CA -0.790 52.228 53.050 -0.054 0.000 0.788 611 N CB 1.245 39.713 38.487 -0.032 0.000 1.361 611 N HN 0.395 nan 8.380 nan 0.000 0.489 612 I N 0.229 120.774 120.570 -0.041 0.000 2.130 612 I HA -0.245 2.887 4.170 -1.730 0.000 0.241 612 I C -0.736 175.383 176.117 0.002 0.000 1.023 612 I CA 1.939 63.221 61.300 -0.029 0.000 1.293 612 I CB -2.548 35.439 38.000 -0.022 0.000 1.001 612 I HN 0.480 nan 8.210 nan 0.000 0.407 613 P HA -0.116 nan 4.420 nan 0.000 0.214 613 P C 1.757 179.071 177.300 0.023 0.000 1.163 613 P CA 2.282 65.390 63.100 0.014 0.000 0.883 613 P CB -0.066 31.637 31.700 0.004 0.000 0.788 614 A N -0.346 122.477 122.820 0.006 0.000 1.930 614 A HA -0.193 3.089 4.320 -1.730 0.000 0.217 614 A C 2.081 179.679 177.584 0.024 0.000 1.175 614 A CA 1.579 53.618 52.037 0.004 0.000 0.627 614 A CB -1.058 17.931 19.000 -0.018 0.000 0.815 614 A HN 0.124 nan 8.150 nan 0.000 0.443 615 K N -0.657 119.756 120.400 0.021 0.000 2.283 615 K HA 0.081 3.363 4.320 -1.730 0.000 0.202 615 K C 1.521 178.292 176.600 0.285 0.000 1.048 615 K CA 0.848 57.189 56.287 0.090 0.000 0.948 615 K CB -0.196 32.275 32.500 -0.050 0.000 0.742 615 K HN 0.545 nan 8.250 nan 0.000 0.458 616 I N 0.692 121.375 120.570 0.188 0.000 2.500 616 I HA -0.208 2.924 4.170 -1.730 0.000 0.252 616 I C 1.879 178.084 176.117 0.148 0.000 1.142 616 I CA 0.781 62.201 61.300 0.199 0.000 1.451 616 I CB 0.011 38.072 38.000 0.102 0.000 1.093 616 I HN 0.108 nan 8.210 nan 0.000 0.430 617 L N -0.369 120.908 121.223 0.089 0.000 2.093 617 L HA -0.152 3.150 4.340 -1.730 0.000 0.208 617 L C 2.659 179.553 176.870 0.040 0.000 1.085 617 L CA 0.942 55.813 54.840 0.051 0.000 0.755 617 L CB -0.612 41.462 42.059 0.025 0.000 0.904 617 L HN 0.150 nan 8.230 nan 0.000 0.435 618 S N -0.695 115.038 115.700 0.055 0.000 2.359 618 S HA -0.271 3.162 4.470 -1.730 0.000 0.223 618 S C 1.887 176.458 174.600 -0.049 0.000 1.039 618 S CA 1.613 59.825 58.200 0.019 0.000 1.042 618 S CB -0.493 62.748 63.200 0.068 0.000 0.915 618 S HN 0.386 nan 8.310 nan 0.000 0.439 619 Y N 3.039 123.242 120.300 -0.160 0.000 2.081 619 Y HA -0.261 3.040 4.550 -2.082 0.000 0.280 619 Y C 2.160 177.919 175.900 -0.235 0.000 1.163 619 Y CA 1.959 59.827 58.100 -0.387 0.000 1.135 619 Y CB -0.601 37.572 38.460 -0.477 0.000 0.970 619 Y HN 0.190 nan 8.280 nan 0.000 0.498 620 N N -0.040 118.675 118.700 0.026 0.000 2.205 620 N HA -0.230 3.472 4.740 -1.730 0.000 0.186 620 N C 2.172 177.622 175.510 -0.099 0.000 1.015 620 N CA 2.103 55.145 53.050 -0.014 0.000 0.862 620 N CB -0.572 37.939 38.487 0.041 0.000 0.986 620 N HN 0.540 nan 8.380 nan 0.000 0.429 621 R N 0.738 121.175 120.500 -0.104 0.000 2.062 621 R HA 0.270 3.572 4.340 -1.730 0.000 0.229 621 R C 2.296 178.501 176.300 -0.158 0.000 1.128 621 R CA 1.511 57.550 56.100 -0.102 0.000 0.960 621 R CB -1.432 28.824 30.300 -0.073 0.000 0.855 621 R HN 0.339 nan 8.270 nan 0.000 0.432 622 A N 1.247 123.923 122.820 -0.242 0.000 1.933 622 A HA -0.212 3.070 4.320 -1.730 0.000 0.218 622 A C 2.164 179.543 177.584 -0.342 0.000 1.175 622 A CA 1.834 53.690 52.037 -0.302 0.000 0.628 622 A CB -0.696 18.054 19.000 -0.416 0.000 0.814 622 A HN 0.756 nan 8.150 nan 0.000 0.444 623 N N -0.752 117.691 118.700 -0.428 0.000 2.188 623 N HA -0.165 3.538 4.740 -1.730 0.000 0.184 623 N C 1.980 177.392 175.510 -0.163 0.000 1.018 623 N CA 1.846 54.685 53.050 -0.352 0.000 0.858 623 N CB -0.306 37.967 38.487 -0.357 0.000 0.989 623 N HN 0.405 nan 8.380 nan 0.000 0.426 624 R N 0.306 120.731 120.500 -0.126 0.000 2.148 624 R HA 0.290 3.592 4.340 -1.730 0.000 0.223 624 R C 2.284 178.542 176.300 -0.070 0.000 1.088 624 R CA 1.228 57.286 56.100 -0.069 0.000 0.985 624 R CB -1.550 28.718 30.300 -0.053 0.000 0.880 624 R HN 0.457 nan 8.270 nan 0.000 0.451 625 A N 0.392 123.155 122.820 -0.094 0.000 2.019 625 A HA 0.032 3.314 4.320 -1.730 0.000 0.219 625 A C 2.440 179.978 177.584 -0.078 0.000 1.164 625 A CA 1.673 53.661 52.037 -0.082 0.000 0.644 625 A CB -0.266 18.678 19.000 -0.093 0.000 0.805 625 A HN 0.336 nan 8.150 nan 0.000 0.449 626 V N -0.647 119.215 119.914 -0.085 0.000 2.379 626 V HA -0.098 2.984 4.120 -1.730 0.000 0.243 626 V C 2.975 179.038 176.094 -0.052 0.000 1.035 626 V CA 1.503 63.759 62.300 -0.074 0.000 1.035 626 V CB -1.056 30.722 31.823 -0.075 0.000 0.673 626 V HN 0.560 nan 8.190 nan 0.000 0.457 627 A N -0.255 122.567 122.820 0.003 0.000 2.076 627 A HA -0.175 3.107 4.320 -1.730 0.000 0.220 627 A C 2.119 179.688 177.584 -0.025 0.000 1.160 627 A CA 1.766 53.854 52.037 0.084 0.000 0.653 627 A CB -0.573 18.482 19.000 0.091 0.000 0.801 627 A HN 0.556 nan 8.150 nan 0.000 0.455 628 I N -1.457 119.080 120.570 -0.056 0.000 2.480 628 I HA -0.119 3.014 4.170 -1.730 0.000 0.251 628 I C 2.290 178.348 176.117 -0.098 0.000 1.124 628 I CA 0.505 61.761 61.300 -0.073 0.000 1.444 628 I CB -0.144 37.821 38.000 -0.059 0.000 1.098 628 I HN 0.352 nan 8.210 nan 0.000 0.428 629 L N 0.783 121.943 121.223 -0.104 0.000 2.017 629 L HA -0.205 3.097 4.340 -1.730 0.000 0.208 629 L C 2.347 179.116 176.870 -0.168 0.000 1.073 629 L CA 2.018 56.796 54.840 -0.104 0.000 0.745 629 L CB -0.629 41.373 42.059 -0.094 0.000 0.894 629 L HN 0.283 nan 8.230 nan 0.000 0.432 630 C N -0.300 118.806 119.300 -0.324 0.000 2.481 630 C HA 0.170 3.592 4.460 -1.730 0.000 0.275 630 C C 1.290 175.972 174.990 -0.514 0.000 1.419 630 C CA 0.370 59.044 59.018 -0.574 0.000 1.773 630 C CB -1.728 25.308 27.740 -1.172 0.000 1.862 630 C HN 0.850 nan 8.230 nan 0.000 0.530 631 N N 0.110 118.615 118.700 -0.325 0.000 2.814 631 N HA -0.181 3.521 4.740 -1.730 0.000 0.247 631 N C -0.592 174.828 175.510 -0.150 0.000 1.089 631 N CA 0.289 53.239 53.050 -0.166 0.000 0.682 631 N CB -2.184 36.291 38.487 -0.020 0.000 0.970 631 N HN 0.741 nan 8.380 nan 0.000 0.554 632 H N 0.856 119.899 119.070 -0.046 0.000 2.800 632 H HA 0.330 3.846 4.556 -1.732 0.000 0.291 632 H C 0.023 175.341 175.328 -0.017 0.000 1.076 632 H CA -0.051 55.981 56.048 -0.026 0.000 1.452 632 H CB 0.697 30.444 29.762 -0.024 0.000 1.461 632 H HN 0.241 nan 8.280 nan 0.000 0.488 633 Q N 2.074 121.944 119.800 0.118 0.000 2.310 633 Q HA 0.500 3.803 4.340 -1.730 0.000 0.270 633 Q C 0.123 176.151 176.000 0.046 0.000 1.025 633 Q CA -0.739 55.097 55.803 0.055 0.000 0.772 633 Q CB 2.077 30.828 28.738 0.021 0.000 1.253 633 Q HN 0.744 nan 8.270 nan 0.000 0.450 634 R N 1.068 121.586 120.500 0.031 0.000 2.601 634 R HA 0.949 4.251 4.340 -1.730 0.000 0.220 634 R C -0.458 175.846 176.300 0.007 0.000 1.329 634 R CA 0.341 56.453 56.100 0.020 0.000 1.043 634 R CB 0.146 30.456 30.300 0.016 0.000 1.807 634 R HN 0.789 nan 8.270 nan 0.000 0.537 714 I N 3.260 123.830 120.570 -0.000 0.000 2.818 714 I HA 0.415 3.547 4.170 -1.730 0.000 0.285 714 I C 0.705 176.837 176.117 0.025 0.000 1.160 714 I CA 0.319 61.626 61.300 0.012 0.000 1.370 714 I CB -0.260 37.739 38.000 -0.002 0.000 1.440 714 I HN 0.668 nan 8.210 nan 0.000 0.555 715 A N 7.753 130.601 122.820 0.047 0.000 2.328 715 A HA 0.555 3.837 4.320 -1.730 0.000 0.284 715 A C 0.885 178.495 177.584 0.043 0.000 1.160 715 A CA -0.488 51.573 52.037 0.040 0.000 0.818 715 A CB 0.658 19.681 19.000 0.037 0.000 1.087 715 A HN 0.771 nan 8.150 nan 0.000 0.504 716 L N 2.944 124.184 121.223 0.029 0.000 2.590 716 L HA 0.158 3.460 4.340 -1.730 0.000 0.227 716 L C 2.388 179.279 176.870 0.034 0.000 1.099 716 L CA 0.688 55.549 54.840 0.035 0.000 0.872 716 L CB -0.403 41.679 42.059 0.039 0.000 1.088 716 L HN 0.847 nan 8.230 nan 0.000 0.479 717 G N 1.517 110.330 108.800 0.021 0.000 2.491 717 G HA2 -0.327 2.595 3.960 -1.730 0.000 0.218 717 G HA3 -0.327 2.595 3.960 -1.730 0.000 0.218 717 G C 1.719 176.634 174.900 0.025 0.000 1.180 717 G CA 1.838 46.959 45.100 0.036 0.000 0.774 717 G HN 0.418 nan 8.290 nan 0.000 0.562 718 T N 0.296 114.797 114.554 -0.088 0.000 2.684 718 T HA -0.212 3.100 4.350 -1.730 0.000 0.267 718 T C 2.657 177.404 174.700 0.078 0.000 1.036 718 T CA 2.457 64.499 62.100 -0.098 0.000 1.148 718 T CB -0.864 67.798 68.868 -0.343 0.000 0.863 718 T HN 0.526 nan 8.240 nan 0.000 0.436 719 S N 2.315 118.030 115.700 0.025 0.000 2.359 719 S HA -0.188 3.244 4.470 -1.730 0.000 0.224 719 S C 2.147 176.914 174.600 0.278 0.000 1.035 719 S CA 1.516 59.895 58.200 0.299 0.000 1.018 719 S CB -0.669 62.654 63.200 0.204 0.000 0.876 719 S HN 0.656 nan 8.310 nan 0.000 0.448 720 K N -0.068 120.455 120.400 0.205 0.000 2.211 720 K HA 0.006 3.288 4.320 -1.730 0.000 0.204 720 K C 1.753 178.579 176.600 0.378 0.000 1.047 720 K CA 1.167 57.614 56.287 0.266 0.000 0.935 720 K CB -0.124 32.528 32.500 0.253 0.000 0.728 720 K HN 0.386 nan 8.250 nan 0.000 0.452 721 L N -0.154 121.264 121.223 0.325 0.000 2.575 721 L HA 0.189 3.491 4.340 -1.730 0.000 0.228 721 L C 0.708 177.799 176.870 0.368 0.000 1.075 721 L CA 0.977 56.044 54.840 0.378 0.000 0.867 721 L CB 0.332 42.498 42.059 0.178 0.000 1.097 721 L HN 0.120 nan 8.230 nan 0.000 0.485 722 N N -2.624 116.240 118.700 0.272 0.000 2.382 722 N HA 0.120 3.822 4.740 -1.730 0.000 0.200 722 N C 0.728 176.146 175.510 -0.154 0.000 1.122 722 N CA 0.355 53.443 53.050 0.063 0.000 0.870 722 N CB 0.362 38.797 38.487 -0.087 0.000 1.176 722 N HN 0.049 nan 8.380 nan 0.000 0.474 723 F N 0.372 120.481 119.950 0.264 0.000 2.724 723 F HA 0.406 3.892 4.527 -1.735 0.000 0.306 723 F C -0.128 175.841 175.800 0.282 0.000 1.100 723 F CA -0.219 57.941 58.000 0.266 0.000 1.255 723 F CB 0.438 39.551 39.000 0.188 0.000 1.072 723 F HN -0.195 nan 8.300 nan 0.000 0.589 724 L N 0.769 122.165 121.223 0.288 0.000 2.272 724 L HA 0.290 3.592 4.340 -1.730 0.000 0.289 724 L C -0.077 176.550 176.870 -0.406 0.000 1.032 724 L CA -0.834 54.002 54.840 -0.007 0.000 0.810 724 L CB 0.675 42.718 42.059 -0.027 0.000 1.205 724 L HN -0.134 nan 8.230 nan 0.000 0.422 725 D N 6.300 126.304 120.400 -0.659 0.000 2.426 725 D HA -0.009 3.593 4.640 -1.730 0.000 0.261 725 D C -1.332 174.572 176.300 -0.660 0.000 1.245 725 D CA -1.342 52.038 54.000 -1.032 0.000 0.917 725 D CB 1.347 41.909 40.800 -0.397 0.000 1.123 725 D HN 0.296 nan 8.370 nan 0.000 0.508 726 P HA -0.197 nan 4.420 nan 0.000 0.216 726 P C 1.157 178.167 177.300 -0.483 0.000 1.150 726 P CA 1.043 63.637 63.100 -0.844 0.000 0.843 726 P CB 0.225 31.029 31.700 -1.494 0.000 0.787 727 R N -0.602 119.566 120.500 -0.553 0.000 2.159 727 R HA -0.068 3.234 4.340 -1.730 0.000 0.237 727 R C 2.550 178.690 176.300 -0.266 0.000 1.131 727 R CA 0.965 56.724 56.100 -0.569 0.000 0.982 727 R CB -0.766 28.841 30.300 -1.155 0.000 0.868 727 R HN 0.291 nan 8.270 nan 0.000 0.453 728 I N -0.225 120.313 120.570 -0.052 0.000 2.179 728 I HA -0.255 2.877 4.170 -1.730 0.000 0.242 728 I C 1.942 178.160 176.117 0.167 0.000 1.088 728 I CA 1.420 62.825 61.300 0.174 0.000 1.357 728 I CB -0.375 37.661 38.000 0.060 0.000 1.051 728 I HN 0.138 nan 8.210 nan 0.000 0.409 729 T N 0.345 114.958 114.554 0.099 0.000 2.857 729 T HA -0.064 3.248 4.350 -1.730 0.000 0.266 729 T C 2.040 176.852 174.700 0.187 0.000 1.048 729 T CA 0.841 63.037 62.100 0.160 0.000 1.139 729 T CB -0.103 68.747 68.868 -0.030 0.000 0.874 729 T HN 0.065 nan 8.240 nan 0.000 0.455 730 V N 1.850 121.830 119.914 0.109 0.000 2.287 730 V HA -0.207 2.875 4.120 -1.730 0.000 0.248 730 V C 2.843 178.995 176.094 0.097 0.000 1.053 730 V CA 1.846 64.196 62.300 0.083 0.000 1.027 730 V CB -1.231 30.582 31.823 -0.016 0.000 0.646 730 V HN 0.522 nan 8.190 nan 0.000 0.447 731 A N -0.678 122.216 122.820 0.123 0.000 1.834 731 A HA -0.319 2.963 4.320 -1.730 0.000 0.216 731 A C 1.964 179.636 177.584 0.148 0.000 1.203 731 A CA 2.251 54.375 52.037 0.144 0.000 0.621 731 A CB -1.295 17.851 19.000 0.243 0.000 0.841 731 A HN 0.699 nan 8.150 nan 0.000 0.446 732 W N 0.198 121.534 121.300 0.059 0.000 2.290 732 W HA -0.331 4.507 4.660 0.297 0.000 0.318 732 W C 2.433 179.022 176.519 0.118 0.000 1.248 732 W CA 2.165 59.578 57.345 0.113 0.000 1.263 732 W CB -0.880 28.716 29.460 0.226 0.000 1.147 732 W HN 0.411 nan 8.180 nan 0.000 0.494 733 C N 0.538 119.948 119.300 0.183 0.000 2.413 733 C HA -0.206 3.216 4.460 -1.730 0.000 0.278 733 C C 2.773 177.689 174.990 -0.123 0.000 1.224 733 C CA 1.769 60.764 59.018 -0.039 0.000 1.732 733 C CB -1.314 26.460 27.740 0.057 0.000 2.050 733 C HN 0.339 nan 8.230 nan 0.000 0.463 734 K N 0.537 120.899 120.400 -0.064 0.000 2.044 734 K HA -0.198 3.084 4.320 -1.730 0.000 0.210 734 K C 2.083 178.580 176.600 -0.172 0.000 1.049 734 K CA 1.641 57.876 56.287 -0.087 0.000 0.927 734 K CB -0.221 32.251 32.500 -0.046 0.000 0.713 734 K HN 0.554 nan 8.250 nan 0.000 0.443 735 K N -0.378 119.860 120.400 -0.270 0.000 2.032 735 K HA -0.175 3.107 4.320 -1.730 0.000 0.209 735 K C 1.847 178.082 176.600 -0.607 0.000 1.048 735 K CA 1.765 57.758 56.287 -0.489 0.000 0.927 735 K CB -0.188 31.900 32.500 -0.688 0.000 0.712 735 K HN 0.311 nan 8.250 nan 0.000 0.441 736 W N 0.271 121.352 121.300 -0.364 0.000 3.256 736 W HA 0.123 3.739 4.660 -1.741 0.000 0.269 736 W C 0.909 177.248 176.519 -0.300 0.000 1.310 736 W CA 0.179 57.284 57.345 -0.401 0.000 1.673 736 W CB 0.315 29.345 29.460 -0.716 0.000 1.115 736 W HN 0.325 nan 8.180 nan 0.000 0.686 737 G N 0.816 109.568 108.800 -0.080 0.000 2.179 737 G HA2 -0.297 2.626 3.960 -1.730 0.000 0.257 737 G HA3 -0.297 2.626 3.960 -1.730 0.000 0.257 737 G C -0.176 174.684 174.900 -0.067 0.000 1.010 737 G CA 0.088 45.152 45.100 -0.059 0.000 0.736 737 G HN 0.057 nan 8.290 nan 0.000 0.513 738 V N 2.844 122.685 119.914 -0.121 0.000 2.385 738 V HA 0.368 3.451 4.120 -1.730 0.000 0.269 738 V C -1.077 174.975 176.094 -0.069 0.000 1.043 738 V CA -1.435 60.795 62.300 -0.118 0.000 0.906 738 V CB 1.333 33.022 31.823 -0.224 0.000 0.995 738 V HN 0.277 nan 8.190 nan 0.000 0.467 739 P HA 0.139 nan 4.420 nan 0.000 0.264 739 P C 1.040 178.332 177.300 -0.013 0.000 1.193 739 P CA 0.136 63.225 63.100 -0.018 0.000 0.763 739 P CB 1.015 32.709 31.700 -0.010 0.000 0.810 740 I N 1.967 122.541 120.570 0.007 0.000 2.423 740 I HA -0.268 2.864 4.170 -1.730 0.000 0.254 740 I C 2.617 178.759 176.117 0.042 0.000 1.151 740 I CA 1.926 63.241 61.300 0.026 0.000 1.421 740 I CB -1.011 37.052 38.000 0.104 0.000 1.079 740 I HN 0.383 nan 8.210 nan 0.000 0.431 741 E N 1.653 121.876 120.200 0.039 0.000 2.268 741 E HA -0.202 3.111 4.350 -1.730 0.000 0.195 741 E C 2.358 178.969 176.600 0.020 0.000 0.995 741 E CA 1.567 57.993 56.400 0.044 0.000 0.836 741 E CB -0.790 28.928 29.700 0.031 0.000 0.763 741 E HN 0.660 nan 8.360 nan 0.000 0.491 742 K N 0.150 120.546 120.400 -0.008 0.000 2.296 742 K HA 0.321 3.603 4.320 -1.730 0.000 0.200 742 K C 2.066 178.629 176.600 -0.062 0.000 1.048 742 K CA 1.119 57.393 56.287 -0.022 0.000 0.966 742 K CB -0.225 32.263 32.500 -0.020 0.000 0.754 742 K HN 0.549 nan 8.250 nan 0.000 0.466 743 I N -1.692 118.800 120.570 -0.129 0.000 3.136 743 I HA 0.185 3.317 4.170 -1.730 0.000 0.262 743 I C 0.030 176.059 176.117 -0.146 0.000 1.132 743 I CA -0.216 60.911 61.300 -0.288 0.000 1.450 743 I CB 0.455 38.056 38.000 -0.664 0.000 1.315 743 I HN 0.192 nan 8.210 nan 0.000 0.460 744 Y N 2.349 122.638 120.300 -0.018 0.000 2.334 744 Y HA 0.238 3.783 4.550 -1.674 0.000 0.328 744 Y C 0.338 176.247 175.900 0.015 0.000 1.130 744 Y CA -1.807 56.311 58.100 0.030 0.000 1.163 744 Y CB 0.280 38.787 38.460 0.078 0.000 1.207 744 Y HN 0.189 nan 8.280 nan 0.000 0.471 745 N N 0.342 119.150 118.700 0.180 0.000 2.413 745 N HA 0.281 3.983 4.740 -1.730 0.000 0.266 745 N C 1.103 176.649 175.510 0.059 0.000 1.238 745 N CA 0.009 53.113 53.050 0.090 0.000 0.972 745 N CB 0.468 38.991 38.487 0.060 0.000 1.210 745 N HN 0.566 nan 8.380 nan 0.000 0.547 746 K N -0.438 119.982 120.400 0.034 0.000 2.107 746 K HA -0.190 3.092 4.320 -1.730 0.000 0.211 746 K C 2.030 178.621 176.600 -0.016 0.000 1.049 746 K CA 2.631 58.927 56.287 0.015 0.000 0.927 746 K CB -1.937 30.574 32.500 0.017 0.000 0.714 746 K HN 0.738 nan 8.250 nan 0.000 0.452 747 T N 0.682 115.219 114.554 -0.029 0.000 2.812 747 T HA -0.122 3.191 4.350 -1.730 0.000 0.264 747 T C 2.234 176.839 174.700 -0.158 0.000 1.042 747 T CA 1.348 63.406 62.100 -0.069 0.000 1.140 747 T CB -0.185 68.649 68.868 -0.057 0.000 0.870 747 T HN 0.665 nan 8.240 nan 0.000 0.445 748 Q N 0.588 120.291 119.800 -0.162 0.000 2.135 748 Q HA -0.081 3.221 4.340 -1.730 0.000 0.204 748 Q C 2.546 178.308 176.000 -0.397 0.000 0.981 748 Q CA 1.183 56.783 55.803 -0.338 0.000 0.856 748 Q CB -0.159 28.528 28.738 -0.086 0.000 0.902 748 Q HN 0.449 nan 8.270 nan 0.000 0.425 749 R N 0.277 120.680 120.500 -0.161 0.000 2.115 749 R HA -0.075 3.228 4.340 -1.730 0.000 0.226 749 R C 1.981 178.212 176.300 -0.115 0.000 1.100 749 R CA 0.721 56.759 56.100 -0.103 0.000 0.980 749 R CB -0.004 30.296 30.300 -0.000 0.000 0.875 749 R HN 0.279 nan 8.270 nan 0.000 0.445 750 E N 1.224 121.355 120.200 -0.114 0.000 2.047 750 E HA -0.177 3.135 4.350 -1.730 0.000 0.191 750 E C 1.826 178.365 176.600 -0.101 0.000 0.987 750 E CA 1.003 57.359 56.400 -0.074 0.000 0.799 750 E CB -0.097 29.572 29.700 -0.052 0.000 0.752 750 E HN 0.264 nan 8.360 nan 0.000 0.449 751 K N 0.249 120.510 120.400 -0.232 0.000 1.978 751 K HA -0.135 3.147 4.320 -1.730 0.000 0.214 751 K C 1.611 178.098 176.600 -0.188 0.000 1.049 751 K CA 1.404 57.517 56.287 -0.290 0.000 0.939 751 K CB -0.216 31.887 32.500 -0.661 0.000 0.721 751 K HN -0.017 nan 8.250 nan 0.000 0.441 752 F N 1.125 120.912 119.950 -0.272 0.000 2.795 752 F HA 0.210 3.700 4.527 -1.728 0.000 0.303 752 F C 1.867 177.312 175.800 -0.593 0.000 1.186 752 F CA -0.068 57.574 58.000 -0.598 0.000 1.415 752 F CB -0.955 37.589 39.000 -0.760 0.000 1.106 752 F HN 0.158 nan 8.300 nan 0.000 0.558 753 A N 1.786 124.525 122.820 -0.136 0.000 1.927 753 A HA -0.226 3.057 4.320 -1.730 0.000 0.220 753 A C 2.180 179.745 177.584 -0.033 0.000 1.185 753 A CA 1.972 53.975 52.037 -0.057 0.000 0.639 753 A CB -1.362 17.651 19.000 0.022 0.000 0.820 753 A HN 0.686 nan 8.150 nan 0.000 0.451 754 W N -0.941 120.393 121.300 0.056 0.000 2.342 754 W HA -0.064 3.566 4.660 -1.717 0.000 0.297 754 W C 2.011 178.561 176.519 0.050 0.000 1.213 754 W CA 1.350 58.718 57.345 0.040 0.000 1.251 754 W CB -1.289 28.201 29.460 0.050 0.000 1.136 754 W HN 0.405 nan 8.180 nan 0.000 0.526 755 A N 1.722 124.137 122.820 -0.675 0.000 1.897 755 A HA -0.021 3.262 4.320 -1.730 0.000 0.215 755 A C 2.048 179.468 177.584 -0.275 0.000 1.181 755 A CA 1.479 53.136 52.037 -0.634 0.000 0.620 755 A CB -1.057 17.247 19.000 -1.160 0.000 0.821 755 A HN 0.285 nan 8.150 nan 0.000 0.443 756 I N -0.169 120.271 120.570 -0.216 0.000 3.241 756 I HA -0.140 2.992 4.170 -1.730 0.000 0.280 756 I C 1.596 177.693 176.117 -0.033 0.000 1.320 756 I CA 1.433 62.685 61.300 -0.080 0.000 1.413 756 I CB -0.229 37.749 38.000 -0.037 0.000 1.060 756 I HN 0.396 nan 8.210 nan 0.000 0.500 757 D N 0.624 121.011 120.400 -0.021 0.000 2.504 757 D HA 0.004 3.606 4.640 -1.730 0.000 0.276 757 D C 1.831 178.150 176.300 0.031 0.000 1.073 757 D CA 0.227 54.235 54.000 0.014 0.000 0.905 757 D CB 0.168 40.987 40.800 0.032 0.000 1.350 757 D HN 0.231 nan 8.370 nan 0.000 0.496 758 M N -0.376 119.257 119.600 0.055 0.000 2.453 758 M HA 0.574 4.016 4.480 -1.730 0.000 0.239 758 M C -0.340 176.000 176.300 0.067 0.000 1.151 758 M CA -0.249 55.104 55.300 0.087 0.000 0.989 758 M CB 0.942 33.638 32.600 0.160 0.000 1.548 758 M HN -0.043 nan 8.290 nan 0.000 0.479 759 A N 0.414 123.234 122.820 0.001 0.000 2.374 759 A HA 0.756 4.038 4.320 -1.730 0.000 0.305 759 A C -0.959 176.637 177.584 0.020 0.000 1.053 759 A CA 0.087 52.106 52.037 -0.030 0.000 0.726 759 A CB 0.766 19.622 19.000 -0.241 0.000 1.229 759 A HN 0.556 nan 8.150 nan 0.000 0.431 760 D N 0.519 120.968 120.400 0.081 0.000 2.654 760 D HA 0.622 4.224 4.640 -1.730 0.000 0.255 760 D C 0.848 177.196 176.300 0.080 0.000 1.101 760 D CA 0.276 54.314 54.000 0.063 0.000 1.116 760 D CB 0.449 41.278 40.800 0.048 0.000 1.348 760 D HN 1.108 nan 8.370 nan 0.000 0.609 761 E N -1.912 118.302 120.200 0.023 0.000 2.492 761 E HA 0.204 3.516 4.350 -1.730 0.000 0.204 761 E C 1.081 177.685 176.600 0.006 0.000 1.073 761 E CA 1.865 58.255 56.400 -0.017 0.000 0.887 761 E CB -1.541 28.112 29.700 -0.079 0.000 0.813 761 E HN 0.873 nan 8.360 nan 0.000 0.562 762 D N -1.432 119.004 120.400 0.060 0.000 2.535 762 D HA 0.355 3.957 4.640 -1.730 0.000 0.229 762 D C 0.160 176.520 176.300 0.101 0.000 1.238 762 D CA -0.455 53.578 54.000 0.055 0.000 0.824 762 D CB -0.354 40.469 40.800 0.040 0.000 1.045 762 D HN 0.488 nan 8.370 nan 0.000 0.500 763 Y N 1.194 121.518 120.300 0.041 0.000 2.402 763 Y HA 0.431 3.938 4.550 -1.739 0.000 0.333 763 Y C 0.313 176.264 175.900 0.085 0.000 1.076 763 Y CA 0.030 58.172 58.100 0.070 0.000 1.299 763 Y CB 0.601 39.111 38.460 0.082 0.000 1.197 763 Y HN 0.208 nan 8.280 nan 0.000 0.517 764 E N 7.434 127.204 120.200 -0.718 0.000 2.244 764 E HA 0.359 3.671 4.350 -1.730 0.000 0.260 764 E C -1.327 174.856 176.600 -0.695 0.000 0.884 764 E CA -0.792 55.315 56.400 -0.488 0.000 0.777 764 E CB 0.701 30.280 29.700 -0.202 0.000 1.197 764 E HN 0.678 nan 8.360 nan 0.000 0.416 765 F N 0.000 119.576 119.950 -0.623 0.000 2.286 765 F HA 0.000 3.493 4.527 -1.723 0.000 0.279 765 F CA 0.000 57.824 58.000 -0.294 0.000 1.383 765 F CB 0.000 38.981 39.000 -0.032 0.000 1.145 765 F HN 0.000 nan 8.300 nan 0.000 0.574