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 2z28_1_B DATA FIRST_RESID 4 DATA SEQUENCE SQVLKIRRPD DWHLHLRDGD MLKTVVPYTS EIYGRAIVMP NLAPPVTTVE DATA SEQUENCE AAVAYRQRIL DAVPAGHDFT PLMTCYLTDS LDPNELERGF NEGVFTAAXL DATA SEQUENCE YPAXXXXXXX XGVTSVDAIM PVLERMEKIG MPLLVHGEVT HADIDIFDRE DATA SEQUENCE ARFIESVMEP LRQRLTALKV VFEHITTKDA ADYVRDGNER LAATITPQHL DATA SEQUENCE MFNRNHMLVG GVRPHLYCLP ILKRNIHQQA LRELVASGFN RVFLGTDSAP DATA SEQUENCE HARHRKESSC GCAGCFNAPT ALGSYATVFE EMNALQHFEA FCSVNGPQFY DATA SEQUENCE GLPVNDTFIE LVREEQQVAE SIALTDDTLV PFLAGETVRW SVK 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.567 174.600 -0.054 0.000 1.055 4 S CA 0.000 58.159 58.200 -0.068 0.000 1.107 4 S CB 0.000 63.166 63.200 -0.056 0.000 0.593 5 Q N 2.439 122.187 119.800 -0.086 0.000 2.274 5 Q HA 0.363 4.702 4.340 -0.000 0.000 0.280 5 Q C -1.233 174.810 176.000 0.072 0.000 1.047 5 Q CA 0.448 56.244 55.803 -0.012 0.000 0.907 5 Q CB 0.611 29.339 28.738 -0.016 0.000 1.171 5 Q HN 0.384 nan 8.270 nan 0.000 0.381 6 V N 5.681 125.681 119.914 0.143 0.000 2.555 6 V HA 0.395 4.514 4.120 -0.000 0.000 0.302 6 V C -0.785 175.442 176.094 0.222 0.000 1.038 6 V CA -0.872 61.544 62.300 0.193 0.000 0.887 6 V CB 1.597 33.485 31.823 0.107 0.000 0.991 6 V HN 0.667 nan 8.190 nan 0.000 0.434 7 L N 5.079 126.454 121.223 0.254 0.000 2.342 7 L HA 0.588 4.928 4.340 -0.000 0.000 0.276 7 L C -0.475 176.465 176.870 0.117 0.000 0.997 7 L CA -0.407 54.517 54.840 0.140 0.000 0.838 7 L CB 1.277 43.333 42.059 -0.004 0.000 1.224 7 L HN 0.663 nan 8.230 nan 0.000 0.416 8 K N 6.445 126.902 120.400 0.094 0.000 2.234 8 K HA 0.688 5.008 4.320 -0.000 0.000 0.277 8 K C -0.916 175.752 176.600 0.114 0.000 1.038 8 K CA -0.599 55.745 56.287 0.095 0.000 0.888 8 K CB 0.798 33.329 32.500 0.052 0.000 1.091 8 K HN 0.782 nan 8.250 nan 0.000 0.467 9 I N 0.016 120.673 120.570 0.146 0.000 2.785 9 I HA 0.497 4.666 4.170 -0.000 0.000 0.302 9 I C -0.366 175.881 176.117 0.217 0.000 1.069 9 I CA -1.389 59.993 61.300 0.136 0.000 1.045 9 I CB 1.817 39.825 38.000 0.013 0.000 1.236 9 I HN 0.543 nan 8.210 nan 0.000 0.429 10 R N 3.487 124.113 120.500 0.209 0.000 2.583 10 R HA 0.045 4.385 4.340 -0.000 0.000 0.274 10 R C 0.213 176.411 176.300 -0.170 0.000 0.998 10 R CA -0.121 55.930 56.100 -0.083 0.000 1.081 10 R CB 0.475 30.724 30.300 -0.085 0.000 0.940 10 R HN 0.807 nan 8.270 nan 0.000 0.413 11 R N 5.534 125.866 120.500 -0.281 0.000 2.537 11 R HA 0.020 4.360 4.340 -0.000 0.000 0.281 11 R C -1.994 174.203 176.300 -0.172 0.000 0.988 11 R CA -0.801 55.172 56.100 -0.211 0.000 1.077 11 R CB 0.443 30.613 30.300 -0.217 0.000 0.932 11 R HN 0.488 nan 8.270 nan 0.000 0.409 12 P HA 0.215 nan 4.420 nan 0.000 0.279 12 P C -1.230 176.093 177.300 0.037 0.000 1.276 12 P CA -0.316 62.736 63.100 -0.080 0.000 0.801 12 P CB 1.104 32.744 31.700 -0.099 0.000 1.127 13 D N -0.676 119.765 120.400 0.069 0.000 2.490 13 D HA 0.263 4.903 4.640 -0.000 0.000 0.232 13 D C -1.084 175.040 176.300 -0.293 0.000 1.053 13 D CA 0.052 53.948 54.000 -0.174 0.000 0.914 13 D CB 1.767 42.171 40.800 -0.660 0.000 1.431 13 D HN 0.308 nan 8.370 nan 0.000 0.483 14 D N 0.439 120.481 120.400 -0.597 0.000 2.441 14 D HA 0.189 4.829 4.640 -0.000 0.000 0.231 14 D C -0.412 175.568 176.300 -0.533 0.000 1.073 14 D CA -0.579 53.087 54.000 -0.558 0.000 0.850 14 D CB 0.399 40.765 40.800 -0.723 0.000 1.062 14 D HN 0.345 nan 8.370 nan 0.000 0.524 15 W N 2.255 123.547 121.300 -0.014 0.000 3.438 15 W HA 0.187 4.846 4.660 -0.001 0.000 0.322 15 W C 0.480 177.082 176.519 0.138 0.000 1.261 15 W CA -0.422 56.947 57.345 0.039 0.000 1.788 15 W CB -0.070 29.507 29.460 0.195 0.000 1.065 15 W HN 0.503 nan 8.180 nan 0.000 0.715 16 H N 0.187 119.314 119.070 0.094 0.000 3.289 16 H HA 0.355 4.911 4.556 -0.001 0.000 0.330 16 H C -1.808 173.518 175.328 -0.003 0.000 1.187 16 H CA -0.853 55.232 56.048 0.061 0.000 1.601 16 H CB 0.399 30.224 29.762 0.105 0.000 1.997 16 H HN -0.094 nan 8.280 nan 0.000 0.489 17 L N 4.585 125.851 121.223 0.071 0.000 2.422 17 L HA 0.452 4.792 4.340 -0.000 0.000 0.264 17 L C -1.568 175.242 176.870 -0.100 0.000 0.984 17 L CA -0.458 54.414 54.840 0.053 0.000 0.819 17 L CB 1.761 43.822 42.059 0.003 0.000 1.330 17 L HN 0.681 nan 8.230 nan 0.000 0.410 18 H N 6.538 125.740 119.070 0.221 0.000 2.504 18 H HA 0.413 4.969 4.556 -0.000 0.000 0.322 18 H C 0.133 175.566 175.328 0.175 0.000 1.055 18 H CA -0.315 55.856 56.048 0.205 0.000 1.231 18 H CB 2.170 32.048 29.762 0.192 0.000 1.417 18 H HN 0.652 nan 8.280 nan 0.000 0.472 19 L N 2.274 123.659 121.223 0.270 0.000 2.664 19 L HA 0.068 4.408 4.340 -0.000 0.000 0.233 19 L C 0.729 177.734 176.870 0.225 0.000 1.113 19 L CA -0.000 54.974 54.840 0.223 0.000 0.896 19 L CB 0.183 42.348 42.059 0.177 0.000 1.163 19 L HN 0.524 nan 8.230 nan 0.000 0.497 20 R N 0.481 121.129 120.500 0.246 0.000 3.938 20 R HA -0.220 4.120 4.340 -0.000 0.000 0.421 20 R C -0.347 176.073 176.300 0.199 0.000 0.241 20 R CA 1.342 57.535 56.100 0.156 0.000 1.341 20 R CB -1.307 29.027 30.300 0.056 0.000 1.049 20 R HN 0.216 nan 8.270 nan 0.000 0.540 21 D N -1.476 118.995 120.400 0.118 0.000 2.677 21 D HA 0.548 5.188 4.640 -0.000 0.000 0.298 21 D C 0.576 176.926 176.300 0.084 0.000 1.250 21 D CA 1.182 55.261 54.000 0.131 0.000 0.888 21 D CB 1.186 42.000 40.800 0.024 0.000 1.397 21 D HN 0.781 nan 8.370 nan 0.000 0.461 22 G N 0.876 109.724 108.800 0.080 0.000 2.566 22 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.280 22 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.280 22 G C 0.631 175.561 174.900 0.049 0.000 1.225 22 G CA 0.717 45.849 45.100 0.052 0.000 0.966 22 G HN 0.561 nan 8.290 nan 0.000 0.560 23 D N -0.154 120.266 120.400 0.034 0.000 2.178 23 D HA -0.019 4.621 4.640 -0.000 0.000 0.202 23 D C 2.447 178.764 176.300 0.027 0.000 0.974 23 D CA 1.639 55.657 54.000 0.030 0.000 0.841 23 D CB -0.191 40.623 40.800 0.022 0.000 0.953 23 D HN 0.415 nan 8.370 nan 0.000 0.478 24 M N 0.357 119.968 119.600 0.019 0.000 2.086 24 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 24 M C 1.946 178.259 176.300 0.022 0.000 1.067 24 M CA 1.148 56.446 55.300 -0.003 0.000 1.116 24 M CB -0.260 32.327 32.600 -0.021 0.000 1.348 24 M HN 0.056 nan 8.290 nan 0.000 0.407 25 L N 0.505 121.764 121.223 0.060 0.000 2.012 25 L HA -0.228 4.111 4.340 -0.000 0.000 0.210 25 L C 2.060 178.977 176.870 0.078 0.000 1.073 25 L CA 2.066 56.962 54.840 0.094 0.000 0.748 25 L CB -0.798 41.344 42.059 0.139 0.000 0.891 25 L HN 0.337 nan 8.230 nan 0.000 0.431 26 K N -1.194 119.244 120.400 0.063 0.000 2.063 26 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 26 K C 1.922 178.559 176.600 0.061 0.000 1.048 26 K CA 1.996 58.314 56.287 0.051 0.000 0.928 26 K CB -0.480 32.044 32.500 0.040 0.000 0.713 26 K HN 0.443 nan 8.250 nan 0.000 0.442 27 T N 0.712 115.309 114.554 0.071 0.000 2.857 27 T HA -0.083 4.266 4.350 -0.000 0.000 0.266 27 T C 1.987 176.819 174.700 0.221 0.000 1.048 27 T CA 1.516 63.683 62.100 0.111 0.000 1.139 27 T CB -0.003 68.904 68.868 0.065 0.000 0.874 27 T HN 0.222 nan 8.240 nan 0.000 0.455 28 V N 0.654 120.679 119.914 0.184 0.000 3.125 28 V HA 0.059 4.179 4.120 -0.000 0.000 0.249 28 V C 2.566 178.848 176.094 0.314 0.000 1.113 28 V CA 0.733 63.228 62.300 0.326 0.000 1.106 28 V CB -1.118 30.795 31.823 0.150 0.000 0.768 28 V HN 0.378 nan 8.190 nan 0.000 0.468 29 V N -1.381 118.621 119.914 0.147 0.000 2.278 29 V HA -0.116 4.004 4.120 -0.000 0.000 0.251 29 V C 0.531 176.618 176.094 -0.012 0.000 1.062 29 V CA 2.457 64.776 62.300 0.032 0.000 1.038 29 V CB -2.836 28.987 31.823 0.000 0.000 0.646 29 V HN 0.499 nan 8.190 nan 0.000 0.447 30 P HA -0.083 nan 4.420 nan 0.000 0.220 30 P C 1.428 178.672 177.300 -0.093 0.000 1.148 30 P CA 1.519 64.593 63.100 -0.043 0.000 0.803 30 P CB -0.256 31.366 31.700 -0.130 0.000 0.782 31 Y N -1.154 119.192 120.300 0.076 0.000 2.421 31 Y HA -0.119 4.431 4.550 -0.000 0.000 0.292 31 Y C 2.304 178.232 175.900 0.048 0.000 1.136 31 Y CA 1.351 59.495 58.100 0.073 0.000 1.255 31 Y CB -1.085 37.449 38.460 0.123 0.000 0.991 31 Y HN -0.032 nan 8.280 nan 0.000 0.552 32 T N -1.440 113.177 114.554 0.105 0.000 2.953 32 T HA -0.113 4.237 4.350 -0.000 0.000 0.247 32 T C 2.128 176.737 174.700 -0.152 0.000 1.029 32 T CA 1.289 63.398 62.100 0.016 0.000 1.144 32 T CB -0.366 68.377 68.868 -0.208 0.000 0.870 32 T HN 0.433 nan 8.240 nan 0.000 0.446 33 S N 2.547 118.006 115.700 -0.401 0.000 2.423 33 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 33 S C 1.958 176.366 174.600 -0.321 0.000 1.014 33 S CA 1.243 59.193 58.200 -0.417 0.000 0.965 33 S CB -0.547 62.533 63.200 -0.201 0.000 0.785 33 S HN 0.797 nan 8.310 nan 0.000 0.495 34 E N 0.691 120.619 120.200 -0.453 0.000 2.268 34 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 34 E C 1.515 177.880 176.600 -0.391 0.000 0.995 34 E CA 0.948 56.896 56.400 -0.753 0.000 0.836 34 E CB -0.185 29.236 29.700 -0.465 0.000 0.763 34 E HN 0.547 nan 8.360 nan 0.000 0.491 35 I N -0.612 119.806 120.570 -0.253 0.000 3.673 35 I HA 0.106 4.275 4.170 -0.000 0.000 0.281 35 I C 0.338 176.231 176.117 -0.373 0.000 1.182 35 I CA 0.041 61.136 61.300 -0.341 0.000 1.391 35 I CB -0.663 37.027 38.000 -0.517 0.000 1.383 35 I HN -0.033 nan 8.210 nan 0.000 0.456 36 Y N 1.140 121.399 120.300 -0.068 0.000 2.310 36 Y HA 0.503 5.053 4.550 -0.000 0.000 0.326 36 Y C 1.639 177.575 175.900 0.060 0.000 1.151 36 Y CA -0.057 58.026 58.100 -0.029 0.000 1.195 36 Y CB 1.038 39.481 38.460 -0.028 0.000 1.210 36 Y HN 0.012 nan 8.280 nan 0.000 0.483 37 G N 2.554 111.415 108.800 0.102 0.000 2.403 37 G HA2 0.014 3.974 3.960 -0.000 0.000 0.216 37 G HA3 0.014 3.974 3.960 -0.000 0.000 0.216 37 G C 0.392 175.279 174.900 -0.022 0.000 1.154 37 G CA 0.229 45.349 45.100 0.034 0.000 0.784 37 G HN 0.518 nan 8.290 nan 0.000 0.538 38 R N -1.536 118.903 120.500 -0.102 0.000 2.799 38 R HA 0.692 5.031 4.340 -0.000 0.000 0.270 38 R C -1.467 174.661 176.300 -0.285 0.000 1.010 38 R CA -0.493 55.397 56.100 -0.350 0.000 0.916 38 R CB 2.189 32.209 30.300 -0.467 0.000 1.228 38 R HN 0.199 nan 8.270 nan 0.000 0.469 39 A N 1.661 124.290 122.820 -0.319 0.000 2.520 39 A HA 0.501 4.820 4.320 -0.000 0.000 0.298 39 A C -1.033 176.379 177.584 -0.286 0.000 1.051 39 A CA -0.712 51.154 52.037 -0.285 0.000 0.690 39 A CB 1.211 20.235 19.000 0.040 0.000 1.281 39 A HN 0.496 nan 8.150 nan 0.000 0.402 40 I N 2.781 123.184 120.570 -0.278 0.000 2.421 40 I HA 0.113 4.283 4.170 -0.000 0.000 0.291 40 I C -0.109 175.970 176.117 -0.063 0.000 1.089 40 I CA 0.235 61.470 61.300 -0.108 0.000 1.354 40 I CB 0.507 38.516 38.000 0.015 0.000 1.413 40 I HN 0.284 nan 8.210 nan 0.000 0.513 41 V N 7.822 127.724 119.914 -0.021 0.000 2.368 41 V HA 0.224 4.344 4.120 -0.000 0.000 0.266 41 V C 0.785 176.918 176.094 0.065 0.000 1.045 41 V CA -0.642 61.672 62.300 0.024 0.000 0.899 41 V CB 1.127 32.963 31.823 0.023 0.000 1.006 41 V HN 0.573 nan 8.190 nan 0.000 0.470 42 M N 7.876 127.462 119.600 -0.023 0.000 2.226 42 M HA 0.283 4.763 4.480 -0.000 0.000 0.324 42 M C -1.525 174.924 176.300 0.247 0.000 1.112 42 M CA -2.094 53.215 55.300 0.016 0.000 1.176 42 M CB 0.520 32.972 32.600 -0.246 0.000 1.430 42 M HN 0.328 nan 8.290 nan 0.000 0.462 43 P HA 0.096 nan 4.420 nan 0.000 0.282 43 P C -0.256 177.257 177.300 0.355 0.000 1.373 43 P CA 0.099 63.410 63.100 0.352 0.000 1.001 43 P CB -0.207 31.712 31.700 0.366 0.000 1.489 44 N N 1.507 120.451 118.700 0.406 0.000 3.115 44 N HA 0.023 4.762 4.740 -0.000 0.000 0.305 44 N C 0.057 175.593 175.510 0.042 0.000 1.305 44 N CA 0.068 53.250 53.050 0.219 0.000 1.154 44 N CB -0.920 37.637 38.487 0.117 0.000 1.454 44 N HN 0.176 nan 8.380 nan 0.000 0.551 45 L N -0.258 120.939 121.223 -0.044 0.000 2.479 45 L HA 0.445 4.784 4.340 -0.000 0.000 0.248 45 L C 0.635 177.415 176.870 -0.151 0.000 1.205 45 L CA -0.928 53.838 54.840 -0.124 0.000 0.817 45 L CB 0.405 42.313 42.059 -0.251 0.000 1.162 45 L HN 0.272 nan 8.230 nan 0.000 0.486 46 A N 1.752 124.496 122.820 -0.127 0.000 2.399 46 A HA 0.616 4.935 4.320 -0.000 0.000 0.327 46 A C -2.019 175.502 177.584 -0.106 0.000 1.367 46 A CA -1.053 50.913 52.037 -0.119 0.000 0.842 46 A CB -0.295 18.657 19.000 -0.081 0.000 1.142 46 A HN 0.546 nan 8.150 nan 0.000 0.495 47 P HA 0.552 nan 4.420 nan 0.000 0.278 47 P C -2.958 174.224 177.300 -0.198 0.000 1.258 47 P CA -1.413 61.596 63.100 -0.152 0.000 0.811 47 P CB 0.390 32.021 31.700 -0.114 0.000 1.063 48 P HA 0.038 nan 4.420 nan 0.000 0.272 48 P C -0.404 176.807 177.300 -0.149 0.000 1.240 48 P CA -0.175 62.715 63.100 -0.351 0.000 0.791 48 P CB 0.307 31.434 31.700 -0.955 0.000 0.978 49 V N 1.947 121.849 119.914 -0.021 0.000 2.372 49 V HA 0.143 4.262 4.120 -0.000 0.000 0.261 49 V C 1.403 177.600 176.094 0.171 0.000 1.055 49 V CA 0.735 63.097 62.300 0.102 0.000 0.930 49 V CB -0.364 31.578 31.823 0.198 0.000 1.031 49 V HN 0.830 nan 8.190 nan 0.000 0.479 50 T N -0.522 114.122 114.554 0.149 0.000 3.058 50 T HA 0.195 4.545 4.350 -0.000 0.000 0.278 50 T C 0.451 175.276 174.700 0.209 0.000 0.974 50 T CA 0.345 62.534 62.100 0.148 0.000 0.893 50 T CB 0.354 69.276 68.868 0.091 0.000 1.138 50 T HN 0.669 nan 8.240 nan 0.000 0.529 51 T N -1.392 113.330 114.554 0.280 0.000 2.906 51 T HA 0.616 4.966 4.350 -0.000 0.000 0.295 51 T C 1.142 176.028 174.700 0.309 0.000 1.075 51 T CA -0.502 61.765 62.100 0.279 0.000 1.005 51 T CB 1.778 70.732 68.868 0.143 0.000 1.136 51 T HN -0.180 nan 8.240 nan 0.000 0.498 52 V N 0.997 121.004 119.914 0.156 0.000 2.343 52 V HA -0.141 3.979 4.120 -0.000 0.000 0.247 52 V C 2.761 178.808 176.094 -0.078 0.000 1.051 52 V CA 2.352 64.562 62.300 -0.150 0.000 1.036 52 V CB -0.942 30.796 31.823 -0.142 0.000 0.654 52 V HN 1.081 nan 8.190 nan 0.000 0.451 53 E N 0.367 120.569 120.200 0.005 0.000 2.051 53 E HA -0.234 4.115 4.350 -0.000 0.000 0.192 53 E C 2.240 178.861 176.600 0.035 0.000 0.991 53 E CA 1.440 57.847 56.400 0.011 0.000 0.799 53 E CB -0.262 29.452 29.700 0.023 0.000 0.748 53 E HN 0.566 nan 8.360 nan 0.000 0.449 54 A N 1.045 123.906 122.820 0.069 0.000 1.933 54 A HA -0.078 4.241 4.320 -0.000 0.000 0.218 54 A C 2.377 180.045 177.584 0.141 0.000 1.175 54 A CA 1.717 53.808 52.037 0.090 0.000 0.628 54 A CB -0.742 18.311 19.000 0.090 0.000 0.814 54 A HN 0.420 nan 8.150 nan 0.000 0.444 55 A N -0.506 122.402 122.820 0.148 0.000 1.877 55 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 55 A C 2.230 179.861 177.584 0.078 0.000 1.186 55 A CA 1.797 53.934 52.037 0.166 0.000 0.620 55 A CB -0.989 18.029 19.000 0.030 0.000 0.822 55 A HN 0.384 nan 8.150 nan 0.000 0.443 56 V N -0.153 119.757 119.914 -0.006 0.000 2.287 56 V HA -0.276 3.843 4.120 -0.000 0.000 0.248 56 V C 3.056 179.168 176.094 0.030 0.000 1.053 56 V CA 2.088 64.377 62.300 -0.018 0.000 1.027 56 V CB -1.200 30.597 31.823 -0.042 0.000 0.646 56 V HN 0.631 nan 8.190 nan 0.000 0.447 57 A N -1.124 121.735 122.820 0.066 0.000 1.898 57 A HA -0.241 4.078 4.320 -0.000 0.000 0.216 57 A C 2.199 179.875 177.584 0.153 0.000 1.181 57 A CA 1.904 53.992 52.037 0.086 0.000 0.620 57 A CB -0.752 18.295 19.000 0.079 0.000 0.819 57 A HN 0.588 nan 8.150 nan 0.000 0.442 58 Y N 0.655 120.973 120.300 0.030 0.000 2.145 58 Y HA -0.197 4.353 4.550 -0.000 0.000 0.286 58 Y C 2.460 178.386 175.900 0.043 0.000 1.145 58 Y CA 1.865 59.992 58.100 0.045 0.000 1.148 58 Y CB -0.681 37.819 38.460 0.066 0.000 0.981 58 Y HN 0.365 nan 8.280 nan 0.000 0.507 59 R N -0.179 120.311 120.500 -0.016 0.000 2.117 59 R HA -0.267 4.073 4.340 -0.000 0.000 0.243 59 R C 2.298 178.553 176.300 -0.075 0.000 1.143 59 R CA 2.001 58.027 56.100 -0.123 0.000 0.968 59 R CB -0.283 29.968 30.300 -0.081 0.000 0.863 59 R HN 0.333 nan 8.270 nan 0.000 0.444 60 Q N 0.472 120.262 119.800 -0.015 0.000 2.123 60 Q HA -0.065 4.275 4.340 -0.000 0.000 0.199 60 Q C 1.878 177.887 176.000 0.014 0.000 0.966 60 Q CA 1.578 57.379 55.803 -0.002 0.000 0.845 60 Q CB 0.031 28.774 28.738 0.009 0.000 0.907 60 Q HN 0.319 nan 8.270 nan 0.000 0.439 61 R N -0.318 120.209 120.500 0.045 0.000 2.081 61 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 61 R C 2.304 178.627 176.300 0.037 0.000 1.131 61 R CA 1.578 57.719 56.100 0.068 0.000 0.960 61 R CB -0.484 29.907 30.300 0.151 0.000 0.856 61 R HN 0.345 nan 8.270 nan 0.000 0.436 62 I N 0.978 121.531 120.570 -0.028 0.000 2.142 62 I HA -0.311 3.858 4.170 -0.000 0.000 0.240 62 I C 2.335 178.474 176.117 0.037 0.000 1.078 62 I CA 1.416 62.698 61.300 -0.029 0.000 1.343 62 I CB -0.342 37.579 38.000 -0.131 0.000 1.046 62 I HN 0.132 nan 8.210 nan 0.000 0.405 63 L N 0.305 121.540 121.223 0.019 0.000 2.079 63 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 63 L C 2.146 179.033 176.870 0.029 0.000 1.081 63 L CA 1.199 56.061 54.840 0.036 0.000 0.752 63 L CB -0.803 41.257 42.059 0.001 0.000 0.896 63 L HN 0.294 nan 8.230 nan 0.000 0.433 64 D N 0.412 120.824 120.400 0.020 0.000 2.182 64 D HA -0.169 4.470 4.640 -0.000 0.000 0.201 64 D C 1.993 178.301 176.300 0.013 0.000 0.986 64 D CA 1.561 55.570 54.000 0.015 0.000 0.847 64 D CB 0.029 40.841 40.800 0.020 0.000 0.942 64 D HN 0.359 nan 8.370 nan 0.000 0.467 65 A N 0.201 123.035 122.820 0.024 0.000 2.275 65 A HA 0.164 4.484 4.320 -0.000 0.000 0.212 65 A C 0.814 178.400 177.584 0.004 0.000 1.201 65 A CA -0.141 51.907 52.037 0.017 0.000 0.843 65 A CB 0.357 19.378 19.000 0.034 0.000 0.873 65 A HN 0.018 nan 8.150 nan 0.000 0.492 66 V N 2.600 122.525 119.914 0.017 0.000 2.427 66 V HA 0.184 4.303 4.120 -0.000 0.000 0.268 66 V C -2.220 173.818 176.094 -0.092 0.000 1.046 66 V CA -1.468 60.838 62.300 0.011 0.000 0.970 66 V CB 0.589 32.483 31.823 0.119 0.000 1.001 66 V HN 0.266 nan 8.190 nan 0.000 0.476 67 P HA 0.102 nan 4.420 nan 0.000 0.265 67 P C -0.021 177.073 177.300 -0.342 0.000 1.187 67 P CA 0.052 62.929 63.100 -0.372 0.000 0.766 67 P CB 0.408 31.719 31.700 -0.647 0.000 0.820 68 A N 3.045 125.749 122.820 -0.193 0.000 2.584 68 A HA 0.352 4.672 4.320 -0.000 0.000 0.239 68 A C 1.593 179.110 177.584 -0.112 0.000 1.043 68 A CA 0.920 52.889 52.037 -0.112 0.000 0.756 68 A CB -1.346 17.612 19.000 -0.071 0.000 0.963 68 A HN 0.933 nan 8.150 nan 0.000 0.511 69 G N 1.703 110.489 108.800 -0.024 0.000 2.194 69 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.236 69 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.236 69 G C 0.087 175.095 174.900 0.180 0.000 0.987 69 G CA 0.437 45.569 45.100 0.053 0.000 0.635 69 G HN 1.126 nan 8.290 nan 0.000 0.520 70 H N 0.950 120.029 119.070 0.014 0.000 2.668 70 H HA 0.390 4.946 4.556 -0.001 0.000 0.303 70 H C -0.782 174.582 175.328 0.060 0.000 1.074 70 H CA -0.506 55.560 56.048 0.031 0.000 1.406 70 H CB 1.424 31.203 29.762 0.028 0.000 1.442 70 H HN 0.088 nan 8.280 nan 0.000 0.482 71 D N 4.748 125.245 120.400 0.162 0.000 2.522 71 D HA 0.031 4.671 4.640 -0.000 0.000 0.218 71 D C -1.130 175.253 176.300 0.138 0.000 1.149 71 D CA -0.290 53.770 54.000 0.101 0.000 0.981 71 D CB -0.617 40.204 40.800 0.035 0.000 1.041 71 D HN 0.249 nan 8.370 nan 0.000 0.518 72 F N 1.762 121.716 119.950 0.007 0.000 2.482 72 F HA 0.502 5.029 4.527 -0.001 0.000 0.331 72 F C -0.811 174.963 175.800 -0.043 0.000 1.115 72 F CA -0.586 57.404 58.000 -0.017 0.000 0.955 72 F CB 1.879 40.891 39.000 0.020 0.000 1.136 72 F HN -0.115 nan 8.300 nan 0.000 0.452 73 T N 7.639 121.634 114.554 -0.932 0.000 2.809 73 T HA 0.394 4.744 4.350 -0.000 0.000 0.284 73 T C -2.890 171.141 174.700 -1.115 0.000 0.992 73 T CA -1.363 60.258 62.100 -0.797 0.000 0.957 73 T CB 1.529 70.146 68.868 -0.417 0.000 0.942 73 T HN 0.326 nan 8.240 nan 0.000 0.439 74 P HA 0.354 nan 4.420 nan 0.000 0.286 74 P C -0.872 176.245 177.300 -0.306 0.000 1.269 74 P CA -0.541 62.246 63.100 -0.522 0.000 0.787 74 P CB 0.735 32.278 31.700 -0.262 0.000 0.920 75 L N 4.291 125.373 121.223 -0.236 0.000 2.257 75 L HA 0.364 4.703 4.340 -0.000 0.000 0.290 75 L C 0.840 177.704 176.870 -0.010 0.000 1.044 75 L CA -0.678 54.092 54.840 -0.116 0.000 0.810 75 L CB 0.595 42.576 42.059 -0.131 0.000 1.193 75 L HN 0.187 nan 8.230 nan 0.000 0.425 76 M N 2.443 122.079 119.600 0.060 0.000 2.255 76 M HA 0.397 4.877 4.480 -0.000 0.000 0.336 76 M C 0.360 176.846 176.300 0.311 0.000 1.135 76 M CA -0.212 55.193 55.300 0.176 0.000 1.145 76 M CB 1.002 33.710 32.600 0.180 0.000 1.473 76 M HN 0.582 nan 8.290 nan 0.000 0.462 77 T N -1.729 113.021 114.554 0.326 0.000 2.916 77 T HA 0.533 4.883 4.350 -0.000 0.000 0.292 77 T C -0.701 174.081 174.700 0.138 0.000 1.055 77 T CA -0.895 61.343 62.100 0.229 0.000 1.009 77 T CB 1.955 70.894 68.868 0.119 0.000 1.118 77 T HN 0.782 nan 8.240 nan 0.000 0.497 78 C N 2.692 121.810 119.300 -0.303 0.000 2.319 78 C HA 0.578 5.038 4.460 -0.000 0.000 0.335 78 C C -0.214 174.715 174.990 -0.102 0.000 1.274 78 C CA -0.874 57.846 59.018 -0.496 0.000 1.806 78 C CB -0.922 26.082 27.740 -1.227 0.000 2.329 78 C HN 0.930 nan 8.230 nan 0.000 0.524 79 Y N 6.600 126.868 120.300 -0.053 0.000 2.531 79 Y HA 0.436 4.986 4.550 -0.000 0.000 0.347 79 Y C 0.191 176.095 175.900 0.006 0.000 1.024 79 Y CA -0.106 58.026 58.100 0.053 0.000 1.306 79 Y CB 0.310 38.827 38.460 0.094 0.000 1.149 79 Y HN 0.621 nan 8.280 nan 0.000 0.527 80 L N 6.592 127.795 121.223 -0.034 0.000 2.416 80 L HA 0.230 4.570 4.340 -0.000 0.000 0.272 80 L C 0.434 177.373 176.870 0.116 0.000 1.161 80 L CA 0.003 54.844 54.840 0.001 0.000 0.845 80 L CB 0.539 42.554 42.059 -0.074 0.000 1.119 80 L HN 0.703 nan 8.230 nan 0.000 0.464 81 T N -2.689 111.941 114.554 0.126 0.000 2.916 81 T HA 0.254 4.603 4.350 -0.000 0.000 0.292 81 T C 0.458 175.203 174.700 0.076 0.000 1.055 81 T CA -0.902 61.285 62.100 0.144 0.000 1.009 81 T CB 1.929 70.886 68.868 0.149 0.000 1.118 81 T HN 0.418 nan 8.240 nan 0.000 0.497 82 D N 1.251 121.692 120.400 0.068 0.000 2.158 82 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 82 D C 2.088 178.409 176.300 0.035 0.000 0.995 82 D CA 2.111 56.138 54.000 0.044 0.000 0.846 82 D CB -0.196 40.629 40.800 0.041 0.000 0.941 82 D HN 0.724 nan 8.370 nan 0.000 0.456 83 S N -0.515 115.210 115.700 0.041 0.000 2.556 83 S HA 0.090 4.560 4.470 -0.000 0.000 0.216 83 S C 0.740 175.362 174.600 0.035 0.000 0.970 83 S CA -0.586 57.634 58.200 0.034 0.000 0.912 83 S CB -0.055 63.165 63.200 0.033 0.000 0.790 83 S HN 0.122 nan 8.310 nan 0.000 0.504 84 L N 3.416 124.664 121.223 0.040 0.000 2.525 84 L HA 0.287 4.627 4.340 -0.000 0.000 0.278 84 L C -0.093 176.798 176.870 0.035 0.000 1.218 84 L CA 0.357 55.222 54.840 0.042 0.000 0.878 84 L CB 0.158 42.239 42.059 0.037 0.000 1.127 84 L HN 0.081 nan 8.230 nan 0.000 0.492 85 D N 6.414 126.840 120.400 0.043 0.000 2.343 85 D HA 0.169 4.809 4.640 -0.000 0.000 0.255 85 D C -1.794 174.532 176.300 0.043 0.000 1.187 85 D CA -1.933 52.092 54.000 0.042 0.000 0.875 85 D CB 1.608 42.437 40.800 0.048 0.000 1.136 85 D HN 0.403 nan 8.370 nan 0.000 0.469 86 P HA -0.138 nan 4.420 nan 0.000 0.217 86 P C 0.852 178.182 177.300 0.049 0.000 1.148 86 P CA 0.872 63.988 63.100 0.027 0.000 0.828 86 P CB 0.324 32.033 31.700 0.015 0.000 0.783 87 N N -0.537 118.195 118.700 0.053 0.000 2.244 87 N HA -0.159 4.581 4.740 -0.000 0.000 0.183 87 N C 1.738 177.305 175.510 0.095 0.000 1.016 87 N CA 1.076 54.165 53.050 0.066 0.000 0.866 87 N CB -0.630 37.889 38.487 0.052 0.000 0.980 87 N HN 0.232 nan 8.380 nan 0.000 0.430 88 E N 1.176 121.439 120.200 0.105 0.000 2.047 88 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 88 E C 1.905 178.652 176.600 0.245 0.000 0.987 88 E CA 0.520 57.012 56.400 0.153 0.000 0.799 88 E CB -0.379 29.408 29.700 0.145 0.000 0.752 88 E HN 0.154 nan 8.360 nan 0.000 0.449 89 L N 0.949 122.289 121.223 0.196 0.000 2.017 89 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 89 L C 2.316 179.352 176.870 0.277 0.000 1.073 89 L CA 2.437 57.403 54.840 0.211 0.000 0.745 89 L CB -0.760 41.317 42.059 0.031 0.000 0.894 89 L HN 0.384 nan 8.230 nan 0.000 0.432 90 E N -0.107 120.201 120.200 0.180 0.000 2.077 90 E HA -0.307 4.043 4.350 -0.000 0.000 0.193 90 E C 2.315 179.059 176.600 0.239 0.000 0.989 90 E CA 1.259 57.779 56.400 0.200 0.000 0.800 90 E CB -0.092 29.683 29.700 0.124 0.000 0.746 90 E HN 0.376 nan 8.360 nan 0.000 0.452 91 R N -0.286 120.321 120.500 0.180 0.000 2.083 91 R HA -0.131 4.208 4.340 -0.000 0.000 0.237 91 R C 2.408 178.781 176.300 0.123 0.000 1.137 91 R CA 1.785 57.961 56.100 0.127 0.000 0.951 91 R CB -0.637 29.717 30.300 0.090 0.000 0.851 91 R HN 0.283 nan 8.270 nan 0.000 0.434 92 G N -0.210 108.697 108.800 0.179 0.000 2.432 92 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 92 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 92 G C 1.219 176.209 174.900 0.150 0.000 1.135 92 G CA 0.538 45.642 45.100 0.006 0.000 0.767 92 G HN 0.382 nan 8.290 nan 0.000 0.550 93 F N 2.134 122.201 119.950 0.193 0.000 2.113 93 F HA -0.009 4.517 4.527 -0.000 0.000 0.297 93 F C 2.318 178.158 175.800 0.066 0.000 1.103 93 F CA 1.418 59.509 58.000 0.151 0.000 1.248 93 F CB -0.167 38.919 39.000 0.143 0.000 0.999 93 F HN 0.049 nan 8.300 nan 0.000 0.475 94 N N 0.637 119.388 118.700 0.085 0.000 2.309 94 N HA -0.136 4.604 4.740 -0.000 0.000 0.182 94 N C 1.393 176.850 175.510 -0.089 0.000 1.018 94 N CA 1.306 54.332 53.050 -0.039 0.000 0.876 94 N CB -0.429 38.089 38.487 0.051 0.000 0.972 94 N HN 0.506 nan 8.380 nan 0.000 0.434 95 E N -0.387 119.774 120.200 -0.066 0.000 2.502 95 E HA 0.122 4.472 4.350 -0.000 0.000 0.194 95 E C 0.711 177.240 176.600 -0.119 0.000 1.062 95 E CA 0.144 56.492 56.400 -0.087 0.000 0.867 95 E CB 0.030 29.681 29.700 -0.081 0.000 0.888 95 E HN 0.356 nan 8.360 nan 0.000 0.510 96 G N 0.869 109.576 108.800 -0.154 0.000 2.155 96 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.257 96 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.257 96 G C 0.988 175.819 174.900 -0.115 0.000 0.983 96 G CA 0.528 45.535 45.100 -0.154 0.000 0.676 96 G HN 0.256 nan 8.290 nan 0.000 0.528 97 V N -0.637 119.193 119.914 -0.140 0.000 2.331 97 V HA 0.260 4.380 4.120 -0.000 0.000 0.242 97 V C 1.421 177.447 176.094 -0.114 0.000 1.034 97 V CA 1.391 63.565 62.300 -0.211 0.000 1.027 97 V CB -0.304 31.271 31.823 -0.413 0.000 0.667 97 V HN 0.328 nan 8.190 nan 0.000 0.457 98 F N 0.384 120.400 119.950 0.109 0.000 2.411 98 F HA 0.261 4.787 4.527 -0.000 0.000 0.355 98 F C 1.430 177.384 175.800 0.258 0.000 1.117 98 F CA -0.405 57.700 58.000 0.175 0.000 1.139 98 F CB 1.430 40.553 39.000 0.205 0.000 1.120 98 F HN -0.129 nan 8.300 nan 0.000 0.493 99 T N 2.237 117.042 114.554 0.419 0.000 3.009 99 T HA 0.278 4.628 4.350 -0.000 0.000 0.258 99 T C 0.497 175.465 174.700 0.447 0.000 1.063 99 T CA 0.731 63.070 62.100 0.399 0.000 1.139 99 T CB 0.174 69.208 68.868 0.277 0.000 0.890 99 T HN 0.648 nan 8.240 nan 0.000 0.471 100 A N -0.176 122.844 122.820 0.333 0.000 2.599 100 A HA 0.869 5.188 4.320 -0.000 0.000 0.290 100 A C -1.369 176.243 177.584 0.045 0.000 1.101 100 A CA -0.431 51.719 52.037 0.190 0.000 0.674 100 A CB 0.739 19.894 19.000 0.257 0.000 1.277 100 A HN 0.344 nan 8.150 nan 0.000 0.419 104 Y N 5.579 125.743 120.300 -0.227 0.000 2.334 104 Y HA 0.701 5.250 4.550 -0.000 0.000 0.328 104 Y C -1.964 173.874 175.900 -0.102 0.000 1.130 104 Y CA -1.736 56.255 58.100 -0.182 0.000 1.163 104 Y CB 1.350 39.655 38.460 -0.259 0.000 1.207 104 Y HN 0.414 nan 8.280 nan 0.000 0.471 105 P HA 0.184 nan 4.420 nan 0.000 0.279 105 P C -0.416 176.933 177.300 0.082 0.000 1.239 105 P CA -0.240 62.920 63.100 0.099 0.000 0.789 105 P CB 1.147 32.914 31.700 0.113 0.000 0.933 116 V N 1.388 121.355 119.914 0.088 0.000 2.439 116 V HA 0.403 4.523 4.120 -0.000 0.000 0.282 116 V C 1.802 177.936 176.094 0.066 0.000 1.039 116 V CA 0.551 62.892 62.300 0.068 0.000 0.913 116 V CB 1.148 32.996 31.823 0.042 0.000 0.983 116 V HN 1.149 nan 8.190 nan 0.000 0.460 117 T N 0.631 115.219 114.554 0.055 0.000 2.851 117 T HA 0.027 4.377 4.350 -0.000 0.000 0.262 117 T C 0.681 175.407 174.700 0.043 0.000 1.043 117 T CA 0.799 62.928 62.100 0.049 0.000 1.140 117 T CB 0.034 68.926 68.868 0.039 0.000 0.872 117 T HN 0.789 nan 8.240 nan 0.000 0.446 118 S N -0.725 114.994 115.700 0.032 0.000 2.556 118 S HA 0.581 5.051 4.470 -0.000 0.000 0.271 118 S C 0.640 175.246 174.600 0.011 0.000 1.135 118 S CA -0.645 57.566 58.200 0.019 0.000 0.858 118 S CB 1.875 65.080 63.200 0.009 0.000 1.114 118 S HN -0.078 nan 8.310 nan 0.000 0.468 119 V N 1.260 121.172 119.914 -0.004 0.000 2.407 119 V HA -0.160 3.959 4.120 -0.000 0.000 0.248 119 V C 1.998 178.082 176.094 -0.017 0.000 1.055 119 V CA 2.294 64.585 62.300 -0.016 0.000 1.049 119 V CB -0.891 30.907 31.823 -0.042 0.000 0.662 119 V HN 0.901 nan 8.190 nan 0.000 0.455 120 D N 0.560 120.950 120.400 -0.017 0.000 2.123 120 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 120 D C 2.204 178.501 176.300 -0.006 0.000 0.992 120 D CA 1.671 55.663 54.000 -0.014 0.000 0.833 120 D CB -0.334 40.459 40.800 -0.013 0.000 0.954 120 D HN 0.458 nan 8.370 nan 0.000 0.455 121 A N 0.722 123.543 122.820 0.001 0.000 2.015 121 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 121 A C 2.039 179.626 177.584 0.005 0.000 1.163 121 A CA 0.954 52.995 52.037 0.006 0.000 0.646 121 A CB -0.641 18.367 19.000 0.014 0.000 0.806 121 A HN 0.449 nan 8.150 nan 0.000 0.448 122 I N -5.269 115.302 120.570 0.001 0.000 3.889 122 I HA 0.213 4.383 4.170 -0.000 0.000 0.332 122 I C 1.392 177.502 176.117 -0.011 0.000 1.493 122 I CA -0.222 61.076 61.300 -0.002 0.000 1.158 122 I CB 0.189 38.188 38.000 -0.003 0.000 1.117 122 I HN -0.072 nan 8.210 nan 0.000 0.411 123 M N 1.943 121.536 119.600 -0.012 0.000 2.082 123 M HA -0.058 4.422 4.480 -0.000 0.000 0.258 123 M C -0.290 176.000 176.300 -0.017 0.000 1.069 123 M CA 2.159 57.449 55.300 -0.017 0.000 1.102 123 M CB -2.169 30.421 32.600 -0.016 0.000 1.336 123 M HN 0.204 nan 8.290 nan 0.000 0.404 124 P HA -0.079 nan 4.420 nan 0.000 0.216 124 P C 1.888 179.179 177.300 -0.015 0.000 1.150 124 P CA 1.035 64.129 63.100 -0.010 0.000 0.837 124 P CB -0.112 31.586 31.700 -0.003 0.000 0.786 125 V N -0.548 119.356 119.914 -0.016 0.000 2.358 125 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 125 V C 2.434 178.503 176.094 -0.043 0.000 1.047 125 V CA 1.616 63.901 62.300 -0.025 0.000 1.035 125 V CB -1.241 30.567 31.823 -0.024 0.000 0.658 125 V HN 0.058 nan 8.190 nan 0.000 0.452 126 L N -0.392 120.806 121.223 -0.042 0.000 2.056 126 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 126 L C 2.558 179.396 176.870 -0.052 0.000 1.078 126 L CA 1.643 56.453 54.840 -0.051 0.000 0.749 126 L CB -0.671 41.362 42.059 -0.042 0.000 0.901 126 L HN 0.357 nan 8.230 nan 0.000 0.433 127 E N -0.165 120.011 120.200 -0.040 0.000 2.110 127 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 127 E C 2.236 178.810 176.600 -0.043 0.000 0.988 127 E CA 0.927 57.305 56.400 -0.037 0.000 0.804 127 E CB -0.018 29.666 29.700 -0.026 0.000 0.745 127 E HN 0.201 nan 8.360 nan 0.000 0.458 128 R N 0.925 121.400 120.500 -0.042 0.000 2.073 128 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 128 R C 2.090 178.338 176.300 -0.086 0.000 1.134 128 R CA 1.551 57.623 56.100 -0.047 0.000 0.952 128 R CB -0.251 30.030 30.300 -0.032 0.000 0.850 128 R HN 0.150 nan 8.270 nan 0.000 0.433 129 M N -0.124 119.409 119.600 -0.112 0.000 2.149 129 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 129 M C 2.199 178.402 176.300 -0.162 0.000 1.064 129 M CA 1.948 57.141 55.300 -0.178 0.000 1.102 129 M CB -0.348 32.155 32.600 -0.162 0.000 1.369 129 M HN 0.303 nan 8.290 nan 0.000 0.408 130 E N 0.785 120.922 120.200 -0.106 0.000 2.072 130 E HA -0.205 4.145 4.350 -0.000 0.000 0.190 130 E C 2.016 178.571 176.600 -0.075 0.000 0.982 130 E CA 1.103 57.452 56.400 -0.085 0.000 0.803 130 E CB 0.122 29.786 29.700 -0.060 0.000 0.755 130 E HN 0.384 nan 8.360 nan 0.000 0.453 131 K N 0.756 121.118 120.400 -0.063 0.000 2.057 131 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 131 K C 2.276 178.853 176.600 -0.038 0.000 1.050 131 K CA 1.503 57.766 56.287 -0.041 0.000 0.935 131 K CB -0.197 32.288 32.500 -0.026 0.000 0.715 131 K HN 0.325 nan 8.250 nan 0.000 0.439 132 I N -3.422 117.108 120.570 -0.066 0.000 3.578 132 I HA 0.223 4.393 4.170 -0.000 0.000 0.295 132 I C 0.748 176.823 176.117 -0.070 0.000 1.280 132 I CA 0.717 61.993 61.300 -0.040 0.000 1.347 132 I CB 0.130 38.103 38.000 -0.046 0.000 1.051 132 I HN 0.271 nan 8.210 nan 0.000 0.460 133 G N 2.353 111.070 108.800 -0.138 0.000 2.149 133 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.235 133 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.235 133 G C 0.085 174.845 174.900 -0.233 0.000 1.018 133 G CA 0.342 45.369 45.100 -0.122 0.000 0.728 133 G HN 0.553 nan 8.290 nan 0.000 0.508 134 M N 1.756 121.073 119.600 -0.470 0.000 2.120 134 M HA 0.463 4.943 4.480 -0.000 0.000 0.354 134 M C -1.964 174.182 176.300 -0.256 0.000 1.287 134 M CA -2.127 52.831 55.300 -0.570 0.000 1.103 134 M CB 1.101 33.208 32.600 -0.823 0.000 1.623 134 M HN -0.001 nan 8.290 nan 0.000 0.471 135 P HA 0.126 nan 4.420 nan 0.000 0.271 135 P C -1.325 175.932 177.300 -0.071 0.000 1.218 135 P CA -0.395 62.635 63.100 -0.117 0.000 0.780 135 P CB 0.611 32.201 31.700 -0.184 0.000 0.901 136 L N 3.794 124.987 121.223 -0.050 0.000 2.296 136 L HA 0.375 4.715 4.340 -0.000 0.000 0.286 136 L C -0.897 175.952 176.870 -0.035 0.000 1.023 136 L CA -0.348 54.461 54.840 -0.053 0.000 0.812 136 L CB 0.403 42.429 42.059 -0.056 0.000 1.223 136 L HN 0.180 nan 8.230 nan 0.000 0.421 137 L N 6.224 127.414 121.223 -0.056 0.000 2.282 137 L HA 0.592 4.932 4.340 -0.000 0.000 0.288 137 L C -0.781 176.003 176.870 -0.143 0.000 1.033 137 L CA -0.906 53.894 54.840 -0.067 0.000 0.807 137 L CB 1.602 43.629 42.059 -0.055 0.000 1.209 137 L HN 0.304 nan 8.230 nan 0.000 0.423 138 V N 1.822 121.655 119.914 -0.135 0.000 2.409 138 V HA 0.180 4.300 4.120 -0.000 0.000 0.291 138 V C -0.294 175.680 176.094 -0.200 0.000 1.020 138 V CA -0.629 61.564 62.300 -0.177 0.000 0.848 138 V CB 1.450 33.166 31.823 -0.179 0.000 0.990 138 V HN 0.683 nan 8.190 nan 0.000 0.430 139 H N 3.640 122.523 119.070 -0.313 0.000 2.911 139 H HA 0.473 5.029 4.556 -0.000 0.000 0.273 139 H C 0.780 175.874 175.328 -0.391 0.000 1.157 139 H CA -0.073 55.869 56.048 -0.177 0.000 1.402 139 H CB 0.708 30.435 29.762 -0.058 0.000 1.463 139 H HN 0.792 nan 8.280 nan 0.000 0.475 140 G N 5.281 113.774 108.800 -0.511 0.000 3.161 140 G HA2 0.164 4.124 3.960 -0.000 0.000 0.293 140 G HA3 0.164 4.124 3.960 -0.000 0.000 0.293 140 G C -0.641 173.736 174.900 -0.872 0.000 0.893 140 G CA -0.496 43.755 45.100 -1.414 0.000 1.756 140 G HN 0.700 nan 8.290 nan 0.000 0.549 141 E N 0.451 120.335 120.200 -0.526 0.000 2.272 141 E HA 0.342 4.691 4.350 -0.000 0.000 0.269 141 E C -0.179 176.554 176.600 0.221 0.000 0.877 141 E CA -0.941 55.456 56.400 -0.005 0.000 0.755 141 E CB 2.984 32.761 29.700 0.128 0.000 1.192 141 E HN 0.267 nan 8.360 nan 0.000 0.422 142 V N 0.034 120.133 119.914 0.308 0.000 2.834 142 V HA 0.393 4.513 4.120 -0.000 0.000 0.301 142 V C 0.709 176.901 176.094 0.163 0.000 1.066 142 V CA 0.228 62.678 62.300 0.249 0.000 1.052 142 V CB 1.193 33.132 31.823 0.194 0.000 1.021 142 V HN 0.959 nan 8.190 nan 0.000 0.480 143 T N -1.261 113.381 114.554 0.147 0.000 3.058 143 T HA 0.185 4.534 4.350 -0.000 0.000 0.278 143 T C 0.616 175.375 174.700 0.098 0.000 0.974 143 T CA -0.006 62.155 62.100 0.102 0.000 0.893 143 T CB -0.663 68.249 68.868 0.073 0.000 1.138 143 T HN 0.927 nan 8.240 nan 0.000 0.529 144 H N 1.525 120.623 119.070 0.046 0.000 3.034 144 H HA 0.337 4.893 4.556 -0.000 0.000 0.324 144 H C 1.628 176.974 175.328 0.030 0.000 1.015 144 H CA 0.720 56.788 56.048 0.034 0.000 1.429 144 H CB 1.310 31.090 29.762 0.031 0.000 1.429 144 H HN 0.341 nan 8.280 nan 0.000 0.585 145 A N 4.613 127.314 122.820 -0.198 0.000 1.986 145 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 145 A C 1.813 179.434 177.584 0.060 0.000 1.171 145 A CA 1.837 53.833 52.037 -0.068 0.000 0.640 145 A CB -0.057 18.862 19.000 -0.134 0.000 0.811 145 A HN 0.770 nan 8.150 nan 0.000 0.451 146 D N -0.570 119.952 120.400 0.203 0.000 2.347 146 D HA 0.106 4.746 4.640 -0.000 0.000 0.213 146 D C 0.424 176.812 176.300 0.147 0.000 0.985 146 D CA 0.267 54.380 54.000 0.189 0.000 0.879 146 D CB -0.080 40.862 40.800 0.237 0.000 0.919 146 D HN 0.466 nan 8.370 nan 0.000 0.526 147 I N 1.899 122.564 120.570 0.159 0.000 2.396 147 I HA -0.027 4.143 4.170 -0.000 0.000 0.289 147 I C 0.927 177.101 176.117 0.094 0.000 1.056 147 I CA -0.413 60.953 61.300 0.111 0.000 1.365 147 I CB 0.744 38.811 38.000 0.111 0.000 1.407 147 I HN -0.168 nan 8.210 nan 0.000 0.509 148 D N 5.984 126.442 120.400 0.097 0.000 2.525 148 D HA -0.083 4.556 4.640 -0.000 0.000 0.235 148 D C 1.158 177.513 176.300 0.091 0.000 1.137 148 D CA 0.251 54.320 54.000 0.115 0.000 0.868 148 D CB 1.082 41.975 40.800 0.155 0.000 1.180 148 D HN 0.589 nan 8.370 nan 0.000 0.465 149 I N 3.330 123.917 120.570 0.029 0.000 2.335 149 I HA -0.284 3.886 4.170 -0.000 0.000 0.251 149 I C 1.404 177.400 176.117 -0.201 0.000 1.129 149 I CA 1.096 62.319 61.300 -0.127 0.000 1.402 149 I CB -0.016 37.822 38.000 -0.270 0.000 1.069 149 I HN 0.384 nan 8.210 nan 0.000 0.424 150 F N 0.593 120.563 119.950 0.034 0.000 2.502 150 F HA -0.110 4.417 4.527 -0.001 0.000 0.298 150 F C 1.683 177.478 175.800 -0.009 0.000 1.111 150 F CA 0.640 58.647 58.000 0.011 0.000 1.445 150 F CB -0.261 38.754 39.000 0.024 0.000 1.081 150 F HN 0.122 nan 8.300 nan 0.000 0.558 151 D N -0.661 119.831 120.400 0.154 0.000 2.349 151 D HA 0.057 4.697 4.640 -0.000 0.000 0.214 151 D C 1.987 178.330 176.300 0.073 0.000 1.063 151 D CA 0.244 54.304 54.000 0.100 0.000 0.847 151 D CB -0.111 40.750 40.800 0.101 0.000 0.933 151 D HN 0.221 nan 8.370 nan 0.000 0.513 152 R N 0.507 121.041 120.500 0.056 0.000 2.115 152 R HA -0.051 4.289 4.340 -0.000 0.000 0.226 152 R C 1.978 178.339 176.300 0.101 0.000 1.100 152 R CA 0.786 56.932 56.100 0.077 0.000 0.980 152 R CB 0.111 30.447 30.300 0.059 0.000 0.875 152 R HN 0.242 nan 8.270 nan 0.000 0.445 153 E N 0.775 121.007 120.200 0.053 0.000 2.046 153 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 153 E C 1.928 178.614 176.600 0.144 0.000 0.982 153 E CA 1.075 57.523 56.400 0.080 0.000 0.800 153 E CB -0.009 29.677 29.700 -0.024 0.000 0.756 153 E HN 0.327 nan 8.360 nan 0.000 0.449 154 A N 1.385 124.248 122.820 0.073 0.000 1.933 154 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 154 A C 2.150 179.778 177.584 0.074 0.000 1.175 154 A CA 1.098 53.175 52.037 0.067 0.000 0.628 154 A CB -0.409 18.617 19.000 0.043 0.000 0.814 154 A HN 0.133 nan 8.150 nan 0.000 0.444 155 R N -1.634 118.917 120.500 0.084 0.000 2.120 155 R HA -0.094 4.245 4.340 -0.000 0.000 0.234 155 R C 1.879 178.218 176.300 0.066 0.000 1.123 155 R CA 1.288 57.426 56.100 0.063 0.000 0.975 155 R CB -0.886 29.455 30.300 0.068 0.000 0.866 155 R HN 0.661 nan 8.270 nan 0.000 0.446 156 F N 1.513 121.450 119.950 -0.021 0.000 2.186 156 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 156 F C 2.121 177.842 175.800 -0.131 0.000 1.090 156 F CA 1.084 59.051 58.000 -0.055 0.000 1.307 156 F CB -0.143 38.839 39.000 -0.030 0.000 1.019 156 F HN -0.163 nan 8.300 nan 0.000 0.489 157 I N 0.956 121.541 120.570 0.024 0.000 2.127 157 I HA -0.348 3.822 4.170 -0.000 0.000 0.241 157 I C 2.544 178.482 176.117 -0.299 0.000 1.075 157 I CA 2.133 63.297 61.300 -0.228 0.000 1.334 157 I CB -0.770 37.087 38.000 -0.239 0.000 1.040 157 I HN 0.312 nan 8.210 nan 0.000 0.405 158 E N 0.889 120.983 120.200 -0.177 0.000 2.072 158 E HA -0.207 4.142 4.350 -0.000 0.000 0.191 158 E C 2.065 178.568 176.600 -0.161 0.000 0.985 158 E CA 1.757 58.078 56.400 -0.133 0.000 0.801 158 E CB -0.367 29.291 29.700 -0.069 0.000 0.750 158 E HN 0.522 nan 8.360 nan 0.000 0.452 159 S N -0.416 115.164 115.700 -0.201 0.000 2.503 159 S HA 0.110 4.580 4.470 -0.000 0.000 0.217 159 S C 1.659 176.077 174.600 -0.304 0.000 0.999 159 S CA 0.350 58.430 58.200 -0.199 0.000 0.914 159 S CB 0.761 63.875 63.200 -0.144 0.000 0.782 159 S HN 0.201 nan 8.310 nan 0.000 0.520 160 V N 0.176 119.770 119.914 -0.533 0.000 3.161 160 V HA 0.272 4.392 4.120 -0.000 0.000 0.221 160 V C 2.079 177.822 176.094 -0.584 0.000 1.296 160 V CA 0.651 62.553 62.300 -0.664 0.000 1.306 160 V CB -0.465 30.670 31.823 -1.147 0.000 1.171 160 V HN 0.380 nan 8.190 nan 0.000 0.513 161 M N 1.460 120.621 119.600 -0.732 0.000 2.065 161 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 161 M C 1.997 178.199 176.300 -0.162 0.000 1.069 161 M CA 2.608 57.689 55.300 -0.366 0.000 1.110 161 M CB -0.446 31.940 32.600 -0.356 0.000 1.328 161 M HN 0.409 nan 8.290 nan 0.000 0.405 162 E N -0.552 119.556 120.200 -0.153 0.000 2.072 162 E HA -0.081 4.268 4.350 -0.000 0.000 0.191 162 E C -0.765 175.824 176.600 -0.017 0.000 0.985 162 E CA 1.560 57.971 56.400 0.017 0.000 0.801 162 E CB -1.461 28.261 29.700 0.037 0.000 0.750 162 E HN 0.345 nan 8.360 nan 0.000 0.452 163 P HA -0.155 nan 4.420 nan 0.000 0.215 163 P C 1.536 178.799 177.300 -0.060 0.000 1.157 163 P CA 1.082 64.141 63.100 -0.069 0.000 0.874 163 P CB -0.151 31.490 31.700 -0.100 0.000 0.790 164 L N 0.008 121.180 121.223 -0.085 0.000 2.012 164 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 164 L C 2.265 179.117 176.870 -0.030 0.000 1.073 164 L CA 1.931 56.733 54.840 -0.064 0.000 0.748 164 L CB -1.031 40.979 42.059 -0.082 0.000 0.891 164 L HN -0.188 nan 8.230 nan 0.000 0.431 165 R N -1.049 119.447 120.500 -0.007 0.000 2.115 165 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 165 R C 2.154 178.459 176.300 0.009 0.000 1.111 165 R CA 1.145 57.256 56.100 0.018 0.000 0.976 165 R CB -0.322 30.017 30.300 0.065 0.000 0.870 165 R HN 0.521 nan 8.270 nan 0.000 0.445 166 Q N 0.075 119.878 119.800 0.006 0.000 2.230 166 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 166 Q C 1.935 177.930 176.000 -0.009 0.000 0.963 166 Q CA 0.939 56.742 55.803 0.001 0.000 0.866 166 Q CB -0.010 28.729 28.738 0.001 0.000 0.931 166 Q HN 0.302 nan 8.270 nan 0.000 0.452 167 R N 0.154 120.644 120.500 -0.016 0.000 2.090 167 R HA 0.087 4.427 4.340 -0.000 0.000 0.219 167 R C 0.316 176.604 176.300 -0.019 0.000 1.100 167 R CA 0.406 56.494 56.100 -0.019 0.000 0.991 167 R CB 0.342 30.627 30.300 -0.026 0.000 0.893 167 R HN 0.125 nan 8.270 nan 0.000 0.443 168 L N 2.170 123.382 121.223 -0.020 0.000 2.506 168 L HA 0.234 4.574 4.340 -0.000 0.000 0.247 168 L C 0.996 177.855 176.870 -0.018 0.000 1.141 168 L CA -0.382 54.444 54.840 -0.022 0.000 0.973 168 L CB 1.641 43.683 42.059 -0.028 0.000 1.319 168 L HN 0.177 nan 8.230 nan 0.000 0.455 169 T N -2.895 111.649 114.554 -0.016 0.000 3.035 169 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 169 T C 1.463 176.153 174.700 -0.017 0.000 1.109 169 T CA 0.935 63.027 62.100 -0.012 0.000 1.119 169 T CB 0.267 69.128 68.868 -0.011 0.000 0.900 169 T HN 0.495 nan 8.240 nan 0.000 0.503 170 A N 0.164 122.969 122.820 -0.025 0.000 2.303 170 A HA 0.558 4.878 4.320 -0.000 0.000 0.217 170 A C 0.733 178.289 177.584 -0.047 0.000 1.205 170 A CA -0.484 51.532 52.037 -0.036 0.000 0.875 170 A CB -0.204 18.773 19.000 -0.038 0.000 0.910 170 A HN 0.469 nan 8.150 nan 0.000 0.501 171 L N 1.049 122.249 121.223 -0.038 0.000 2.410 171 L HA 0.222 4.561 4.340 -0.000 0.000 0.273 171 L C -0.043 176.810 176.870 -0.027 0.000 1.152 171 L CA 0.383 55.196 54.840 -0.045 0.000 0.855 171 L CB 0.394 42.431 42.059 -0.037 0.000 1.129 171 L HN 0.145 nan 8.230 nan 0.000 0.463 172 K N 4.299 124.670 120.400 -0.049 0.000 2.227 172 K HA 0.558 4.878 4.320 -0.000 0.000 0.280 172 K C -1.245 175.407 176.600 0.087 0.000 1.041 172 K CA -0.602 55.682 56.287 -0.004 0.000 0.905 172 K CB 1.521 33.903 32.500 -0.196 0.000 1.068 172 K HN 0.406 nan 8.250 nan 0.000 0.470 173 V N 3.374 123.406 119.914 0.196 0.000 2.588 173 V HA 0.279 4.399 4.120 -0.000 0.000 0.304 173 V C -0.516 175.629 176.094 0.084 0.000 1.042 173 V CA -1.029 61.335 62.300 0.107 0.000 0.877 173 V CB 2.023 33.881 31.823 0.058 0.000 0.996 173 V HN 0.432 nan 8.190 nan 0.000 0.425 174 V N 4.704 124.628 119.914 0.017 0.000 2.370 174 V HA 0.372 4.492 4.120 -0.000 0.000 0.283 174 V C -0.267 175.839 176.094 0.021 0.000 1.023 174 V CA -0.388 61.870 62.300 -0.070 0.000 0.857 174 V CB 1.469 33.274 31.823 -0.030 0.000 0.985 174 V HN 0.787 nan 8.190 nan 0.000 0.443 175 F N 4.858 124.730 119.950 -0.129 0.000 2.439 175 F HA 0.280 4.806 4.527 -0.001 0.000 0.356 175 F C 1.001 176.696 175.800 -0.174 0.000 1.161 175 F CA -0.652 57.284 58.000 -0.106 0.000 1.151 175 F CB 0.345 39.326 39.000 -0.032 0.000 1.222 175 F HN 0.549 nan 8.300 nan 0.000 0.558 176 E N 4.014 124.268 120.200 0.091 0.000 2.392 176 E HA -0.029 4.321 4.350 -0.000 0.000 0.259 176 E C 0.139 176.572 176.600 -0.279 0.000 1.108 176 E CA -0.190 56.113 56.400 -0.162 0.000 0.916 176 E CB 0.243 29.769 29.700 -0.291 0.000 0.989 176 E HN 0.708 nan 8.360 nan 0.000 0.432 177 H N -1.186 117.826 119.070 -0.096 0.000 2.133 177 H HA -0.217 4.339 4.556 -0.000 0.000 0.319 177 H C 0.072 175.187 175.328 -0.355 0.000 0.911 177 H CA 0.406 56.323 56.048 -0.218 0.000 1.058 177 H CB -2.585 27.024 29.762 -0.256 0.000 1.594 177 H HN 0.429 nan 8.280 nan 0.000 0.331 178 I N -1.805 118.626 120.570 -0.231 0.000 2.696 178 I HA 0.377 4.547 4.170 -0.000 0.000 0.284 178 I C 1.048 176.929 176.117 -0.394 0.000 1.129 178 I CA 0.205 61.245 61.300 -0.433 0.000 1.410 178 I CB 1.424 39.058 38.000 -0.610 0.000 1.399 178 I HN 0.524 nan 8.210 nan 0.000 0.579 179 T N -0.497 113.818 114.554 -0.397 0.000 3.130 179 T HA 0.208 4.558 4.350 -0.000 0.000 0.288 179 T C 0.446 175.035 174.700 -0.184 0.000 0.936 179 T CA 0.333 62.223 62.100 -0.348 0.000 0.897 179 T CB -0.366 68.215 68.868 -0.478 0.000 1.178 179 T HN 0.917 nan 8.240 nan 0.000 0.543 180 T N -1.147 113.289 114.554 -0.197 0.000 2.907 180 T HA 0.524 4.874 4.350 -0.000 0.000 0.292 180 T C 0.761 175.494 174.700 0.055 0.000 1.043 180 T CA -0.865 61.154 62.100 -0.134 0.000 1.003 180 T CB 2.852 71.559 68.868 -0.268 0.000 1.084 180 T HN 0.003 nan 8.240 nan 0.000 0.483 181 K N 0.840 121.441 120.400 0.334 0.000 2.103 181 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 181 K C 1.127 177.778 176.600 0.085 0.000 1.048 181 K CA 2.342 58.721 56.287 0.153 0.000 0.930 181 K CB -0.479 32.090 32.500 0.114 0.000 0.716 181 K HN 0.732 nan 8.250 nan 0.000 0.444 182 D N 0.239 120.705 120.400 0.110 0.000 2.106 182 D HA -0.217 4.422 4.640 -0.000 0.000 0.191 182 D C 1.808 178.143 176.300 0.057 0.000 0.997 182 D CA 1.929 55.972 54.000 0.073 0.000 0.834 182 D CB -0.145 40.691 40.800 0.061 0.000 0.956 182 D HN 0.383 nan 8.370 nan 0.000 0.448 183 A N 0.584 123.382 122.820 -0.037 0.000 1.929 183 A HA 0.136 4.456 4.320 -0.000 0.000 0.216 183 A C 2.241 179.767 177.584 -0.097 0.000 1.176 183 A CA 1.668 53.627 52.037 -0.131 0.000 0.628 183 A CB -0.876 17.768 19.000 -0.593 0.000 0.816 183 A HN 0.232 nan 8.150 nan 0.000 0.444 184 A N 0.383 123.134 122.820 -0.115 0.000 1.883 184 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 184 A C 1.780 179.293 177.584 -0.119 0.000 1.186 184 A CA 2.013 53.973 52.037 -0.128 0.000 0.624 184 A CB -0.665 18.274 19.000 -0.101 0.000 0.822 184 A HN 0.443 nan 8.150 nan 0.000 0.444 185 D N -1.857 118.516 120.400 -0.046 0.000 2.117 185 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 185 D C 1.687 177.988 176.300 0.001 0.000 0.987 185 D CA 1.501 55.479 54.000 -0.036 0.000 0.829 185 D CB -0.458 40.351 40.800 0.014 0.000 0.961 185 D HN 0.598 nan 8.370 nan 0.000 0.460 186 Y N 1.350 121.626 120.300 -0.040 0.000 2.145 186 Y HA -0.212 4.337 4.550 -0.000 0.000 0.286 186 Y C 2.207 178.108 175.900 0.002 0.000 1.145 186 Y CA 1.162 59.271 58.100 0.016 0.000 1.148 186 Y CB -0.282 38.243 38.460 0.108 0.000 0.981 186 Y HN -0.200 nan 8.280 nan 0.000 0.507 187 V N 0.694 120.615 119.914 0.011 0.000 2.323 187 V HA -0.256 3.864 4.120 -0.000 0.000 0.244 187 V C 2.516 178.457 176.094 -0.254 0.000 1.041 187 V CA 2.117 64.375 62.300 -0.069 0.000 1.025 187 V CB -0.712 31.099 31.823 -0.020 0.000 0.656 187 V HN 0.316 nan 8.190 nan 0.000 0.451 188 R N 0.255 120.457 120.500 -0.496 0.000 2.103 188 R HA -0.203 4.137 4.340 -0.000 0.000 0.242 188 R C 1.386 177.507 176.300 -0.298 0.000 1.142 188 R CA 2.039 57.690 56.100 -0.748 0.000 0.960 188 R CB -0.216 29.754 30.300 -0.550 0.000 0.858 188 R HN 0.491 nan 8.270 nan 0.000 0.439 189 D N -0.494 119.788 120.400 -0.196 0.000 2.328 189 D HA 0.108 4.748 4.640 -0.000 0.000 0.221 189 D C 0.467 176.689 176.300 -0.130 0.000 1.072 189 D CA 0.325 54.254 54.000 -0.120 0.000 0.850 189 D CB 0.451 41.192 40.800 -0.099 0.000 0.922 189 D HN 0.327 nan 8.370 nan 0.000 0.516 190 G N 0.597 109.312 108.800 -0.142 0.000 2.563 190 G HA2 0.291 4.251 3.960 -0.000 0.000 0.283 190 G HA3 0.291 4.251 3.960 -0.000 0.000 0.283 190 G C 0.467 175.359 174.900 -0.013 0.000 1.309 190 G CA -0.500 44.512 45.100 -0.147 0.000 1.022 190 G HN 0.177 nan 8.290 nan 0.000 0.501 191 N N -1.875 116.822 118.700 -0.005 0.000 2.538 191 N HA 0.113 4.853 4.740 -0.000 0.000 0.292 191 N C 1.063 176.621 175.510 0.079 0.000 1.262 191 N CA -0.202 52.867 53.050 0.033 0.000 0.976 191 N CB 0.473 38.967 38.487 0.011 0.000 1.161 191 N HN 0.674 nan 8.380 nan 0.000 0.598 192 E N -1.054 119.187 120.200 0.067 0.000 2.472 192 E HA -0.120 4.230 4.350 -0.000 0.000 0.200 192 E C 0.594 177.290 176.600 0.161 0.000 1.046 192 E CA 0.713 57.168 56.400 0.092 0.000 0.871 192 E CB -0.219 29.498 29.700 0.028 0.000 0.806 192 E HN 0.480 nan 8.360 nan 0.000 0.533 193 R N 0.267 120.849 120.500 0.138 0.000 2.359 193 R HA 0.271 4.610 4.340 -0.000 0.000 0.231 193 R C -0.365 176.126 176.300 0.318 0.000 0.913 193 R CA -0.209 55.990 56.100 0.165 0.000 1.075 193 R CB 0.386 30.713 30.300 0.045 0.000 1.087 193 R HN 0.098 nan 8.270 nan 0.000 0.515 194 L N -0.049 121.337 121.223 0.272 0.000 2.385 194 L HA 0.734 5.074 4.340 -0.000 0.000 0.273 194 L C -1.162 175.696 176.870 -0.019 0.000 0.990 194 L CA -0.539 54.388 54.840 0.145 0.000 0.821 194 L CB 1.774 43.881 42.059 0.080 0.000 1.279 194 L HN -0.006 nan 8.230 nan 0.000 0.412 195 A N 3.501 126.127 122.820 -0.324 0.000 2.524 195 A HA 1.056 5.376 4.320 -0.000 0.000 0.286 195 A C -1.448 175.922 177.584 -0.355 0.000 1.203 195 A CA -0.142 51.590 52.037 -0.508 0.000 0.736 195 A CB 1.586 19.853 19.000 -1.221 0.000 1.322 195 A HN 1.341 nan 8.150 nan 0.000 0.424 196 A N -0.451 122.074 122.820 -0.491 0.000 2.572 196 A HA 0.841 5.161 4.320 -0.000 0.000 0.295 196 A C -0.247 176.950 177.584 -0.646 0.000 1.072 196 A CA 0.161 51.963 52.037 -0.391 0.000 0.691 196 A CB 1.045 19.924 19.000 -0.201 0.000 1.291 196 A HN 1.996 nan 8.150 nan 0.000 0.404 197 T N -0.844 113.479 114.554 -0.385 0.000 2.925 197 T HA 0.812 5.161 4.350 -0.000 0.000 0.285 197 T C -0.369 174.312 174.700 -0.033 0.000 1.021 197 T CA -0.504 61.461 62.100 -0.226 0.000 1.042 197 T CB 0.825 69.680 68.868 -0.022 0.000 1.037 197 T HN 0.552 nan 8.240 nan 0.000 0.481 198 I N 2.038 122.698 120.570 0.150 0.000 2.569 198 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 198 I C 0.710 177.094 176.117 0.445 0.000 1.088 198 I CA -1.061 60.392 61.300 0.256 0.000 1.047 198 I CB 2.622 40.791 38.000 0.282 0.000 1.237 198 I HN 0.956 nan 8.210 nan 0.000 0.421 199 T N 2.038 116.797 114.554 0.341 0.000 2.828 199 T HA 0.304 4.654 4.350 -0.000 0.000 0.290 199 T C -1.671 173.113 174.700 0.141 0.000 1.019 199 T CA -1.406 60.861 62.100 0.277 0.000 1.031 199 T CB 1.254 70.220 68.868 0.164 0.000 1.001 199 T HN 0.395 nan 8.240 nan 0.000 0.531 200 P HA -0.156 nan 4.420 nan 0.000 0.217 200 P C 1.756 178.920 177.300 -0.227 0.000 1.151 200 P CA 1.146 63.962 63.100 -0.473 0.000 0.828 200 P CB -0.017 31.319 31.700 -0.607 0.000 0.788 201 Q N 0.486 120.105 119.800 -0.302 0.000 2.124 201 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 201 Q C 1.610 177.543 176.000 -0.112 0.000 0.977 201 Q CA 1.815 57.520 55.803 -0.163 0.000 0.850 201 Q CB -1.742 26.813 28.738 -0.305 0.000 0.901 201 Q HN 0.417 nan 8.270 nan 0.000 0.429 202 H N 0.128 119.202 119.070 0.007 0.000 2.547 202 H HA 0.187 4.743 4.556 -0.001 0.000 0.272 202 H C 1.845 177.186 175.328 0.022 0.000 0.989 202 H CA 0.694 56.764 56.048 0.036 0.000 1.214 202 H CB 0.260 30.029 29.762 0.011 0.000 1.389 202 H HN 0.123 nan 8.280 nan 0.000 0.577 203 L N -0.823 120.442 121.223 0.069 0.000 2.202 203 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 203 L C 1.850 178.660 176.870 -0.100 0.000 1.083 203 L CA 0.727 55.566 54.840 -0.003 0.000 0.790 203 L CB -0.031 42.029 42.059 0.002 0.000 0.942 203 L HN 0.310 nan 8.230 nan 0.000 0.452 204 M N -1.544 117.914 119.600 -0.238 0.000 2.435 204 M HA 0.103 4.583 4.480 -0.000 0.000 0.265 204 M C -0.059 175.834 176.300 -0.678 0.000 1.104 204 M CA 1.146 56.117 55.300 -0.548 0.000 1.140 204 M CB 0.390 32.432 32.600 -0.930 0.000 1.372 204 M HN -0.030 nan 8.290 nan 0.000 0.456 205 F N -0.389 119.514 119.950 -0.079 0.000 2.640 205 F HA 0.367 4.894 4.527 -0.000 0.000 0.324 205 F C -0.065 175.838 175.800 0.172 0.000 1.077 205 F CA -1.378 56.554 58.000 -0.114 0.000 0.965 205 F CB 1.330 40.251 39.000 -0.132 0.000 1.351 205 F HN 0.025 nan 8.300 nan 0.000 0.487 206 N N -1.078 118.026 118.700 0.673 0.000 3.038 206 N HA 0.368 5.108 4.740 -0.000 0.000 0.307 206 N C 0.255 175.967 175.510 0.335 0.000 1.441 206 N CA -1.078 52.212 53.050 0.399 0.000 0.772 206 N CB 0.858 39.511 38.487 0.275 0.000 1.651 206 N HN 0.567 nan 8.380 nan 0.000 0.593 207 R N -0.646 119.993 120.500 0.231 0.000 2.152 207 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 207 R C 0.350 176.710 176.300 0.100 0.000 1.117 207 R CA 1.291 57.508 56.100 0.196 0.000 0.981 207 R CB -0.825 29.613 30.300 0.229 0.000 0.870 207 R HN 0.434 nan 8.270 nan 0.000 0.451 208 N N 1.187 119.895 118.700 0.015 0.000 2.149 208 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 208 N C 1.334 176.768 175.510 -0.127 0.000 1.019 208 N CA 1.565 54.556 53.050 -0.097 0.000 0.857 208 N CB -0.403 37.966 38.487 -0.197 0.000 0.997 208 N HN 0.538 nan 8.380 nan 0.000 0.426 209 H N -0.864 118.207 119.070 0.001 0.000 2.457 209 H HA 0.062 4.618 4.556 -0.000 0.000 0.294 209 H C 1.918 177.158 175.328 -0.146 0.000 1.064 209 H CA 1.043 57.025 56.048 -0.111 0.000 1.330 209 H CB 0.027 29.642 29.762 -0.246 0.000 1.395 209 H HN 0.196 nan 8.280 nan 0.000 0.541 210 M N -0.214 119.409 119.600 0.039 0.000 2.447 210 M HA 0.028 4.508 4.480 -0.000 0.000 0.264 210 M C 0.587 176.900 176.300 0.021 0.000 1.095 210 M CA 1.355 56.672 55.300 0.029 0.000 1.125 210 M CB 0.510 33.166 32.600 0.094 0.000 1.389 210 M HN 0.262 nan 8.290 nan 0.000 0.459 211 L N -1.223 120.009 121.223 0.016 0.000 2.902 211 L HA 0.272 4.611 4.340 -0.000 0.000 0.254 211 L C 0.018 176.880 176.870 -0.014 0.000 1.115 211 L CA -0.450 54.395 54.840 0.009 0.000 0.947 211 L CB 1.183 43.262 42.059 0.033 0.000 1.369 211 L HN -0.159 nan 8.230 nan 0.000 0.538 212 V N 1.249 121.144 119.914 -0.032 0.000 2.488 212 V HA 0.454 4.573 4.120 -0.000 0.000 0.277 212 V C 1.244 177.319 176.094 -0.031 0.000 1.046 212 V CA 0.683 62.960 62.300 -0.038 0.000 0.986 212 V CB 0.637 32.422 31.823 -0.062 0.000 0.989 212 V HN 0.557 nan 8.190 nan 0.000 0.475 213 G N 3.298 112.084 108.800 -0.024 0.000 2.179 213 G HA2 0.131 4.091 3.960 -0.000 0.000 0.260 213 G HA3 0.131 4.091 3.960 -0.000 0.000 0.260 213 G C 0.580 175.470 174.900 -0.017 0.000 0.977 213 G CA -0.130 44.958 45.100 -0.019 0.000 0.641 213 G HN 2.123 nan 8.290 nan 0.000 0.533 214 G N -2.592 106.197 108.800 -0.018 0.000 2.345 214 G HA2 0.482 4.442 3.960 -0.000 0.000 0.310 214 G HA3 0.482 4.442 3.960 -0.000 0.000 0.310 214 G C -0.866 174.022 174.900 -0.021 0.000 1.476 214 G CA 0.236 45.325 45.100 -0.019 0.000 0.978 214 G HN 1.631 nan 8.290 nan 0.000 0.656 215 V N 0.846 120.744 119.914 -0.028 0.000 2.439 215 V HA 0.746 4.866 4.120 -0.000 0.000 0.282 215 V C 0.318 176.387 176.094 -0.040 0.000 1.039 215 V CA -0.695 61.584 62.300 -0.035 0.000 0.913 215 V CB 0.920 32.711 31.823 -0.053 0.000 0.983 215 V HN 0.665 nan 8.190 nan 0.000 0.460 216 R N 7.918 128.400 120.500 -0.030 0.000 2.423 216 R HA 0.341 4.680 4.340 -0.000 0.000 0.293 216 R C -1.886 174.398 176.300 -0.028 0.000 1.196 216 R CA -1.627 54.459 56.100 -0.022 0.000 1.262 216 R CB 1.160 31.450 30.300 -0.017 0.000 1.116 216 R HN 0.618 nan 8.270 nan 0.000 0.566 217 P HA -0.167 nan 4.420 nan 0.000 0.222 217 P C 0.473 177.704 177.300 -0.114 0.000 1.147 217 P CA 1.139 64.151 63.100 -0.147 0.000 0.790 217 P CB 0.242 31.773 31.700 -0.282 0.000 0.780 218 H N -0.694 118.426 119.070 0.082 0.000 2.546 218 H HA 0.131 4.686 4.556 -0.000 0.000 0.277 218 H C 1.819 177.244 175.328 0.162 0.000 1.004 218 H CA 0.666 56.788 56.048 0.123 0.000 1.231 218 H CB -0.161 29.664 29.762 0.105 0.000 1.382 218 H HN 0.240 nan 8.280 nan 0.000 0.580 219 L N -0.059 121.278 121.223 0.191 0.000 2.607 219 L HA 0.021 4.361 4.340 -0.000 0.000 0.228 219 L C 0.261 177.207 176.870 0.127 0.000 1.123 219 L CA -0.194 54.735 54.840 0.149 0.000 0.890 219 L CB 0.040 42.123 42.059 0.041 0.000 1.103 219 L HN 0.105 nan 8.230 nan 0.000 0.468 220 Y N 2.056 122.358 120.300 0.003 0.000 2.393 220 Y HA 0.334 4.884 4.550 -0.000 0.000 0.338 220 Y C 0.156 176.049 175.900 -0.013 0.000 1.029 220 Y CA -1.338 56.751 58.100 -0.019 0.000 1.239 220 Y CB 0.369 38.798 38.460 -0.051 0.000 1.170 220 Y HN 0.194 nan 8.280 nan 0.000 0.515 221 C N 5.363 124.348 119.300 -0.525 0.000 3.321 221 C HA 0.763 5.222 4.460 -0.000 0.000 0.329 221 C C -1.423 173.300 174.990 -0.445 0.000 1.394 221 C CA -1.645 57.121 59.018 -0.420 0.000 1.291 221 C CB 0.818 28.452 27.740 -0.178 0.000 1.606 221 C HN 0.835 nan 8.230 nan 0.000 0.463 222 L N 1.235 122.287 121.223 -0.285 0.000 2.334 222 L HA 0.624 4.963 4.340 -0.000 0.000 0.273 222 L C -2.356 174.322 176.870 -0.320 0.000 1.013 222 L CA -1.793 52.924 54.840 -0.206 0.000 0.816 222 L CB 1.840 43.866 42.059 -0.055 0.000 1.278 222 L HN 0.460 nan 8.230 nan 0.000 0.431 223 P HA 0.078 nan 4.420 nan 0.000 0.269 223 P C -0.219 177.007 177.300 -0.124 0.000 1.209 223 P CA -0.328 62.600 63.100 -0.286 0.000 0.776 223 P CB 0.583 32.059 31.700 -0.373 0.000 0.876 224 I N 2.779 123.263 120.570 -0.144 0.000 2.880 224 I HA -0.115 4.055 4.170 -0.000 0.000 0.296 224 I C 0.229 176.407 176.117 0.101 0.000 1.220 224 I CA 0.373 61.614 61.300 -0.098 0.000 1.435 224 I CB 0.020 37.834 38.000 -0.309 0.000 1.339 224 I HN 0.192 nan 8.210 nan 0.000 0.583 225 L N 7.901 129.236 121.223 0.187 0.000 2.559 225 L HA -0.021 4.319 4.340 -0.000 0.000 0.282 225 L C 0.465 177.550 176.870 0.358 0.000 1.232 225 L CA 0.441 55.448 54.840 0.279 0.000 0.885 225 L CB -0.220 41.970 42.059 0.217 0.000 1.131 225 L HN 0.570 nan 8.230 nan 0.000 0.498 226 K N 2.911 123.505 120.400 0.323 0.000 2.288 226 K HA 0.441 4.761 4.320 -0.000 0.000 0.234 226 K C -0.330 176.431 176.600 0.269 0.000 1.037 226 K CA -0.916 55.563 56.287 0.320 0.000 0.914 226 K CB 0.869 33.465 32.500 0.160 0.000 1.197 226 K HN 0.508 nan 8.250 nan 0.000 0.471 227 R N 0.304 120.957 120.500 0.254 0.000 2.774 227 R HA 0.075 4.415 4.340 -0.000 0.000 0.269 227 R C 0.982 177.372 176.300 0.150 0.000 1.068 227 R CA -0.071 56.120 56.100 0.152 0.000 1.180 227 R CB 0.177 30.514 30.300 0.062 0.000 1.077 227 R HN 0.625 nan 8.270 nan 0.000 0.513 228 N N 1.474 120.218 118.700 0.074 0.000 2.094 228 N HA -0.213 4.527 4.740 -0.000 0.000 0.191 228 N C 1.724 177.243 175.510 0.016 0.000 1.023 228 N CA 2.024 55.112 53.050 0.064 0.000 0.857 228 N CB -0.167 38.343 38.487 0.038 0.000 1.013 228 N HN 0.799 nan 8.380 nan 0.000 0.426 229 I N -1.511 119.015 120.570 -0.072 0.000 2.335 229 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 229 I C 1.722 177.734 176.117 -0.176 0.000 1.129 229 I CA 1.399 62.605 61.300 -0.156 0.000 1.402 229 I CB -0.779 37.071 38.000 -0.249 0.000 1.069 229 I HN 0.146 nan 8.210 nan 0.000 0.424 230 H N 1.029 120.112 119.070 0.021 0.000 2.363 230 H HA -0.110 4.446 4.556 -0.001 0.000 0.301 230 H C 2.219 177.561 175.328 0.023 0.000 1.074 230 H CA 1.778 57.837 56.048 0.018 0.000 1.354 230 H CB -0.331 29.452 29.762 0.035 0.000 1.397 230 H HN 0.555 nan 8.280 nan 0.000 0.516 231 Q N 0.714 120.613 119.800 0.166 0.000 2.112 231 Q HA -0.188 4.151 4.340 -0.000 0.000 0.206 231 Q C 1.972 178.003 176.000 0.052 0.000 0.987 231 Q CA 1.390 57.265 55.803 0.119 0.000 0.858 231 Q CB 0.265 29.086 28.738 0.138 0.000 0.905 231 Q HN 0.350 nan 8.270 nan 0.000 0.420 232 Q N -0.246 119.570 119.800 0.028 0.000 2.124 232 Q HA -0.100 4.239 4.340 -0.000 0.000 0.202 232 Q C 1.987 177.973 176.000 -0.023 0.000 0.977 232 Q CA 1.403 57.201 55.803 -0.007 0.000 0.850 232 Q CB -0.509 28.219 28.738 -0.017 0.000 0.901 232 Q HN 0.492 nan 8.270 nan 0.000 0.429 233 A N 0.850 123.660 122.820 -0.017 0.000 1.908 233 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 233 A C 2.256 179.817 177.584 -0.039 0.000 1.181 233 A CA 1.193 53.214 52.037 -0.027 0.000 0.627 233 A CB -0.688 18.308 19.000 -0.007 0.000 0.818 233 A HN 0.321 nan 8.150 nan 0.000 0.445 234 L N -1.345 119.865 121.223 -0.021 0.000 2.056 234 L HA -0.152 4.187 4.340 -0.000 0.000 0.207 234 L C 2.843 179.672 176.870 -0.069 0.000 1.078 234 L CA 1.417 56.236 54.840 -0.035 0.000 0.749 234 L CB -0.521 41.539 42.059 0.002 0.000 0.901 234 L HN 0.315 nan 8.230 nan 0.000 0.433 235 R N -0.103 120.352 120.500 -0.074 0.000 2.091 235 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 235 R C 2.262 178.472 176.300 -0.150 0.000 1.136 235 R CA 1.186 57.206 56.100 -0.134 0.000 0.959 235 R CB -0.246 29.995 30.300 -0.099 0.000 0.856 235 R HN 0.333 nan 8.270 nan 0.000 0.437 236 E N 0.735 120.877 120.200 -0.097 0.000 2.150 236 E HA -0.176 4.173 4.350 -0.000 0.000 0.193 236 E C 1.994 178.542 176.600 -0.085 0.000 0.985 236 E CA 0.734 57.085 56.400 -0.082 0.000 0.814 236 E CB -0.180 29.485 29.700 -0.059 0.000 0.752 236 E HN 0.161 nan 8.360 nan 0.000 0.466 237 L N 1.164 122.333 121.223 -0.090 0.000 1.994 237 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 237 L C 2.527 179.379 176.870 -0.029 0.000 1.071 237 L CA 1.584 56.376 54.840 -0.080 0.000 0.745 237 L CB -0.725 41.274 42.059 -0.099 0.000 0.892 237 L HN 0.074 nan 8.230 nan 0.000 0.431 238 V N -2.192 117.665 119.914 -0.096 0.000 2.358 238 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 238 V C 2.465 178.457 176.094 -0.170 0.000 1.047 238 V CA 1.486 63.701 62.300 -0.142 0.000 1.035 238 V CB -1.915 29.625 31.823 -0.472 0.000 0.658 238 V HN 0.427 nan 8.190 nan 0.000 0.452 239 A N 1.481 124.151 122.820 -0.250 0.000 2.067 239 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 239 A C 2.511 180.120 177.584 0.041 0.000 1.158 239 A CA 1.974 53.938 52.037 -0.121 0.000 0.661 239 A CB -0.896 18.022 19.000 -0.138 0.000 0.801 239 A HN 0.976 nan 8.150 nan 0.000 0.452 240 S N -1.685 114.004 115.700 -0.019 0.000 2.447 240 S HA 0.265 4.735 4.470 -0.000 0.000 0.233 240 S C 1.605 176.081 174.600 -0.208 0.000 1.006 240 S CA 1.322 59.505 58.200 -0.028 0.000 0.957 240 S CB -0.485 62.715 63.200 0.000 0.000 0.773 240 S HN 1.898 nan 8.310 nan 0.000 0.507 241 G N 0.371 108.955 108.800 -0.360 0.000 2.175 241 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 241 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 241 G C -0.065 174.755 174.900 -0.134 0.000 0.982 241 G CA -0.085 44.619 45.100 -0.659 0.000 0.641 241 G HN 0.689 nan 8.290 nan 0.000 0.527 242 F N 2.814 122.697 119.950 -0.112 0.000 2.604 242 F HA 0.251 4.778 4.527 -0.000 0.000 0.393 242 F C 1.317 177.132 175.800 0.024 0.000 1.043 242 F CA 0.466 58.446 58.000 -0.034 0.000 1.227 242 F CB 0.616 39.601 39.000 -0.025 0.000 1.016 242 F HN 0.223 nan 8.300 nan 0.000 0.556 243 N N 5.091 123.405 118.700 -0.643 0.000 2.270 243 N HA 0.005 4.745 4.740 -0.000 0.000 0.198 243 N C 0.382 175.651 175.510 -0.401 0.000 1.117 243 N CA 0.311 53.145 53.050 -0.360 0.000 0.845 243 N CB -0.148 38.213 38.487 -0.209 0.000 0.980 243 N HN 0.722 nan 8.380 nan 0.000 0.486 244 R N 0.160 120.133 120.500 -0.878 0.000 2.609 244 R HA 0.294 4.633 4.340 -0.000 0.000 0.326 244 R C -0.750 175.470 176.300 -0.133 0.000 1.090 244 R CA -0.176 55.694 56.100 -0.383 0.000 1.072 244 R CB 0.876 30.976 30.300 -0.333 0.000 1.330 244 R HN 0.031 nan 8.270 nan 0.000 0.572 245 V N 1.330 121.244 119.914 0.000 0.000 2.680 245 V HA 0.686 4.805 4.120 -0.000 0.000 0.309 245 V C -1.394 174.713 176.094 0.022 0.000 1.052 245 V CA -0.754 61.529 62.300 -0.028 0.000 0.908 245 V CB 1.432 33.418 31.823 0.272 0.000 1.001 245 V HN 0.243 nan 8.190 nan 0.000 0.431 246 F N 3.471 123.317 119.950 -0.173 0.000 2.745 246 F HA 0.593 5.120 4.527 -0.000 0.000 0.316 246 F C -0.893 174.344 175.800 -0.939 0.000 1.155 246 F CA -1.375 56.216 58.000 -0.682 0.000 0.937 246 F CB 1.475 40.201 39.000 -0.456 0.000 1.361 246 F HN 0.499 nan 8.300 nan 0.000 0.472 247 L N 1.709 122.355 121.223 -0.963 0.000 2.462 247 L HA 0.585 4.925 4.340 -0.000 0.000 0.272 247 L C -0.047 176.880 176.870 0.095 0.000 1.166 247 L CA 0.397 54.873 54.840 -0.606 0.000 0.880 247 L CB 0.202 41.997 42.059 -0.441 0.000 1.142 247 L HN 0.976 nan 8.230 nan 0.000 0.473 248 G N 1.828 110.738 108.800 0.182 0.000 2.575 248 G HA2 0.267 4.227 3.960 -0.000 0.000 0.279 248 G HA3 0.267 4.227 3.960 -0.000 0.000 0.279 248 G C 0.482 175.531 174.900 0.250 0.000 1.460 248 G CA 0.248 45.500 45.100 0.254 0.000 1.214 248 G HN 0.715 nan 8.290 nan 0.000 0.582 249 T N -0.441 114.232 114.554 0.198 0.000 2.867 249 T HA -0.042 4.307 4.350 -0.000 0.000 0.268 249 T C 1.193 175.940 174.700 0.077 0.000 1.057 249 T CA 1.237 63.434 62.100 0.162 0.000 1.136 249 T CB -0.177 68.729 68.868 0.064 0.000 0.874 249 T HN 0.654 nan 8.240 nan 0.000 0.466 250 D N 1.073 121.520 120.400 0.079 0.000 2.737 250 D HA -0.168 4.471 4.640 -0.000 0.000 0.233 250 D C -0.182 176.250 176.300 0.220 0.000 1.155 250 D CA 0.660 54.741 54.000 0.136 0.000 0.667 250 D CB -1.762 39.011 40.800 -0.045 0.000 1.060 250 D HN 0.564 nan 8.370 nan 0.000 0.427 251 S N -0.349 115.462 115.700 0.184 0.000 2.546 251 S HA 0.407 4.877 4.470 -0.000 0.000 0.290 251 S C 0.178 174.971 174.600 0.323 0.000 1.262 251 S CA 0.463 58.775 58.200 0.186 0.000 1.083 251 S CB 0.256 63.538 63.200 0.136 0.000 0.859 251 S HN 0.615 nan 8.310 nan 0.000 0.495 252 A N 7.421 130.400 122.820 0.264 0.000 3.127 252 A HA 0.522 4.842 4.320 -0.000 0.000 0.319 252 A C -2.853 174.753 177.584 0.037 0.000 1.104 252 A CA -1.267 50.851 52.037 0.135 0.000 0.802 252 A CB 0.871 19.902 19.000 0.052 0.000 1.193 252 A HN 0.628 nan 8.150 nan 0.000 0.479 253 P HA 0.378 nan 4.420 nan 0.000 0.279 253 P C -0.965 176.092 177.300 -0.405 0.000 1.239 253 P CA 0.374 63.385 63.100 -0.149 0.000 0.789 253 P CB 0.851 32.301 31.700 -0.417 0.000 0.933 254 H N 0.081 119.149 119.070 -0.004 0.000 2.806 254 H HA 0.413 4.969 4.556 -0.000 0.000 0.367 254 H C -0.085 175.247 175.328 0.007 0.000 1.136 254 H CA -0.741 55.312 56.048 0.009 0.000 1.178 254 H CB 2.349 32.136 29.762 0.041 0.000 1.718 254 H HN 0.507 nan 8.280 nan 0.000 0.540 255 A N 1.987 124.876 122.820 0.115 0.000 2.555 255 A HA -0.025 4.295 4.320 -0.000 0.000 0.233 255 A C 1.802 179.457 177.584 0.118 0.000 1.060 255 A CA 0.235 52.325 52.037 0.089 0.000 0.759 255 A CB 0.187 19.241 19.000 0.089 0.000 0.995 255 A HN 0.949 nan 8.150 nan 0.000 0.506 256 R N 0.303 120.853 120.500 0.083 0.000 2.113 256 R HA -0.225 4.115 4.340 -0.000 0.000 0.244 256 R C 1.112 177.354 176.300 -0.095 0.000 1.142 256 R CA 2.522 58.630 56.100 0.014 0.000 0.953 256 R CB -0.366 29.854 30.300 -0.133 0.000 0.860 256 R HN 0.944 nan 8.270 nan 0.000 0.438 257 H N -0.567 118.545 119.070 0.070 0.000 2.539 257 H HA 0.148 4.704 4.556 -0.000 0.000 0.267 257 H C 1.510 176.851 175.328 0.021 0.000 0.982 257 H CA 0.244 56.315 56.048 0.039 0.000 1.146 257 H CB 0.430 30.209 29.762 0.029 0.000 1.382 257 H HN 0.149 nan 8.280 nan 0.000 0.577 258 R N 0.300 120.865 120.500 0.109 0.000 2.161 258 R HA 0.056 4.395 4.340 -0.000 0.000 0.213 258 R C 1.330 177.618 176.300 -0.019 0.000 1.055 258 R CA 0.395 56.524 56.100 0.049 0.000 0.996 258 R CB 0.143 30.486 30.300 0.072 0.000 0.901 258 R HN 0.224 nan 8.270 nan 0.000 0.456 259 K N 1.473 121.864 120.400 -0.015 0.000 2.044 259 K HA 0.007 4.326 4.320 -0.000 0.000 0.204 259 K C 0.408 176.907 176.600 -0.169 0.000 1.049 259 K CA 0.832 57.054 56.287 -0.108 0.000 0.945 259 K CB 0.127 32.559 32.500 -0.114 0.000 0.724 259 K HN 0.295 nan 8.250 nan 0.000 0.440 260 E N 1.958 122.080 120.200 -0.131 0.000 2.026 260 E HA 0.117 4.467 4.350 -0.000 0.000 0.253 260 E C -0.374 176.207 176.600 -0.032 0.000 1.056 260 E CA -0.381 55.950 56.400 -0.115 0.000 0.927 260 E CB 0.540 30.166 29.700 -0.122 0.000 1.172 260 E HN 0.166 nan 8.360 nan 0.000 0.445 261 S N -0.319 115.352 115.700 -0.048 0.000 2.727 261 S HA 0.193 4.663 4.470 -0.000 0.000 0.278 261 S C 0.831 175.402 174.600 -0.049 0.000 1.186 261 S CA -0.290 57.899 58.200 -0.019 0.000 0.836 261 S CB 0.951 64.147 63.200 -0.006 0.000 1.186 261 S HN 0.227 nan 8.310 nan 0.000 0.499 262 S N -0.955 114.721 115.700 -0.039 0.000 2.481 262 S HA 0.101 4.571 4.470 -0.000 0.000 0.231 262 S C 0.773 175.330 174.600 -0.072 0.000 0.996 262 S CA 0.523 58.693 58.200 -0.050 0.000 0.942 262 S CB -0.778 62.402 63.200 -0.034 0.000 0.768 262 S HN 1.259 nan 8.310 nan 0.000 0.520 263 C N 2.450 121.704 119.300 -0.077 0.000 3.287 263 C HA 0.696 5.155 4.460 -0.000 0.000 0.260 263 C C 0.712 175.638 174.990 -0.106 0.000 1.133 263 C CA -0.744 58.217 59.018 -0.096 0.000 1.402 263 C CB -0.492 27.209 27.740 -0.065 0.000 1.832 263 C HN 0.586 nan 8.230 nan 0.000 0.509 264 G N 3.159 111.864 108.800 -0.159 0.000 2.406 264 G HA2 0.415 4.375 3.960 -0.000 0.000 0.251 264 G HA3 0.415 4.375 3.960 -0.000 0.000 0.251 264 G C 0.338 175.181 174.900 -0.094 0.000 1.271 264 G CA -0.011 45.000 45.100 -0.148 0.000 0.859 264 G HN 0.926 nan 8.290 nan 0.000 0.540 265 C N 1.175 120.390 119.300 -0.141 0.000 2.676 265 C HA 0.521 4.980 4.460 -0.000 0.000 0.416 265 C C 1.313 176.236 174.990 -0.110 0.000 1.299 265 C CA -0.301 58.563 59.018 -0.256 0.000 2.048 265 C CB 0.058 27.314 27.740 -0.807 0.000 2.713 265 C HN 0.904 nan 8.230 nan 0.000 0.624 266 A N 2.215 124.988 122.820 -0.078 0.000 2.366 266 A HA 0.694 5.014 4.320 -0.000 0.000 0.272 266 A C 0.455 178.022 177.584 -0.028 0.000 1.135 266 A CA 0.481 52.418 52.037 -0.167 0.000 0.804 266 A CB -0.199 18.592 19.000 -0.347 0.000 1.064 266 A HN 1.907 nan 8.150 nan 0.000 0.499 267 G N 0.192 109.014 108.800 0.036 0.000 2.312 267 G HA2 0.352 4.312 3.960 -0.000 0.000 0.322 267 G HA3 0.352 4.312 3.960 -0.000 0.000 0.322 267 G C -0.943 174.072 174.900 0.193 0.000 1.645 267 G CA -0.504 44.688 45.100 0.154 0.000 0.919 267 G HN 1.108 nan 8.290 nan 0.000 0.699 268 C N 1.796 121.163 119.300 0.111 0.000 2.295 268 C HA 0.588 5.048 4.460 -0.000 0.000 0.331 268 C C 0.323 175.413 174.990 0.168 0.000 1.280 268 C CA -0.597 58.489 59.018 0.113 0.000 1.746 268 C CB 0.354 28.017 27.740 -0.129 0.000 2.328 268 C HN 0.659 nan 8.230 nan 0.000 0.521 269 F N 5.571 125.572 119.950 0.085 0.000 2.515 269 F HA 0.266 4.792 4.527 -0.000 0.000 0.353 269 F C 0.971 176.805 175.800 0.057 0.000 1.213 269 F CA -0.809 57.219 58.000 0.046 0.000 1.194 269 F CB -0.135 38.880 39.000 0.025 0.000 1.488 269 F HN 0.725 nan 8.300 nan 0.000 0.619 270 N N 2.915 121.456 118.700 -0.266 0.000 2.184 270 N HA 0.130 4.870 4.740 -0.000 0.000 0.206 270 N C 1.393 176.734 175.510 -0.281 0.000 1.151 270 N CA 0.516 53.417 53.050 -0.248 0.000 0.878 270 N CB -0.336 37.913 38.487 -0.396 0.000 1.014 270 N HN 0.336 nan 8.380 nan 0.000 0.512 271 A N 1.729 124.272 122.820 -0.463 0.000 1.908 271 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 271 A C -0.159 177.348 177.584 -0.128 0.000 1.181 271 A CA 1.364 53.266 52.037 -0.226 0.000 0.627 271 A CB -1.538 17.386 19.000 -0.126 0.000 0.818 271 A HN 0.311 nan 8.150 nan 0.000 0.445 272 P HA -0.071 nan 4.420 nan 0.000 0.222 272 P C 1.089 178.400 177.300 0.018 0.000 1.147 272 P CA 1.954 64.992 63.100 -0.104 0.000 0.790 272 P CB -0.050 31.453 31.700 -0.329 0.000 0.780 273 T N -6.192 108.370 114.554 0.013 0.000 3.058 273 T HA 0.474 4.823 4.350 -0.000 0.000 0.278 273 T C 1.626 176.408 174.700 0.136 0.000 0.974 273 T CA 0.343 62.498 62.100 0.091 0.000 0.893 273 T CB -0.396 68.531 68.868 0.097 0.000 1.138 273 T HN -0.069 nan 8.240 nan 0.000 0.529 274 A N 1.978 124.875 122.820 0.129 0.000 1.877 274 A HA 0.113 4.433 4.320 -0.000 0.000 0.216 274 A C 2.155 179.884 177.584 0.241 0.000 1.186 274 A CA 1.542 53.638 52.037 0.098 0.000 0.620 274 A CB -0.899 18.185 19.000 0.141 0.000 0.822 274 A HN 0.420 nan 8.150 nan 0.000 0.443 275 L N 0.032 121.484 121.223 0.381 0.000 2.017 275 L HA -0.036 4.303 4.340 -0.000 0.000 0.208 275 L C 2.482 179.576 176.870 0.373 0.000 1.073 275 L CA 2.385 57.505 54.840 0.467 0.000 0.745 275 L CB -1.061 41.163 42.059 0.276 0.000 0.894 275 L HN 0.323 nan 8.230 nan 0.000 0.432 276 G N -1.989 106.958 108.800 0.244 0.000 2.432 276 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 276 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 276 G C 1.606 176.607 174.900 0.168 0.000 1.135 276 G CA 0.900 46.125 45.100 0.208 0.000 0.767 276 G HN 0.468 nan 8.290 nan 0.000 0.550 277 S N -0.136 115.650 115.700 0.142 0.000 2.355 277 S HA -0.075 4.395 4.470 -0.000 0.000 0.222 277 S C 2.019 176.669 174.600 0.084 0.000 1.031 277 S CA 0.951 59.190 58.200 0.064 0.000 0.993 277 S CB -0.444 62.771 63.200 0.024 0.000 0.859 277 S HN 0.550 nan 8.310 nan 0.000 0.453 278 Y N 1.674 122.100 120.300 0.209 0.000 2.165 278 Y HA -0.204 4.345 4.550 -0.000 0.000 0.286 278 Y C 2.715 178.714 175.900 0.165 0.000 1.155 278 Y CA 0.728 59.010 58.100 0.304 0.000 1.164 278 Y CB -0.479 38.300 38.460 0.533 0.000 0.978 278 Y HN 0.287 nan 8.280 nan 0.000 0.513 279 A N -0.218 122.585 122.820 -0.027 0.000 1.908 279 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 279 A C 2.239 179.552 177.584 -0.452 0.000 1.181 279 A CA 2.344 53.861 52.037 -0.866 0.000 0.627 279 A CB -1.272 16.928 19.000 -1.334 0.000 0.818 279 A HN 0.415 nan 8.150 nan 0.000 0.445 280 T N -0.324 114.180 114.554 -0.083 0.000 2.720 280 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 280 T C 1.888 176.621 174.700 0.056 0.000 1.037 280 T CA 1.596 63.767 62.100 0.119 0.000 1.144 280 T CB -0.466 68.498 68.868 0.160 0.000 0.864 280 T HN 0.173 nan 8.240 nan 0.000 0.444 281 V N 0.718 120.659 119.914 0.045 0.000 2.237 281 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 281 V C 2.122 178.196 176.094 -0.034 0.000 1.046 281 V CA 1.748 64.042 62.300 -0.010 0.000 1.007 281 V CB -0.789 31.018 31.823 -0.027 0.000 0.638 281 V HN 0.386 nan 8.190 nan 0.000 0.445 282 F N 0.363 120.255 119.950 -0.097 0.000 2.161 282 F HA -0.171 4.356 4.527 0.000 0.000 0.300 282 F C 2.525 178.273 175.800 -0.087 0.000 1.089 282 F CA 2.029 59.975 58.000 -0.089 0.000 1.282 282 F CB -0.394 38.544 39.000 -0.103 0.000 1.010 282 F HN 0.206 nan 8.300 nan 0.000 0.485 283 E N 0.482 120.718 120.200 0.061 0.000 2.051 283 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 283 E C 2.014 178.655 176.600 0.068 0.000 0.991 283 E CA 1.568 58.010 56.400 0.070 0.000 0.799 283 E CB -0.122 29.674 29.700 0.161 0.000 0.748 283 E HN 0.488 nan 8.360 nan 0.000 0.449 284 E N -0.405 119.825 120.200 0.050 0.000 2.160 284 E HA -0.172 4.177 4.350 -0.000 0.000 0.195 284 E C 1.597 178.198 176.600 0.003 0.000 0.991 284 E CA 0.905 57.319 56.400 0.024 0.000 0.810 284 E CB 0.020 29.723 29.700 0.006 0.000 0.742 284 E HN 0.321 nan 8.360 nan 0.000 0.466 285 M N 0.665 120.254 119.600 -0.018 0.000 2.568 285 M HA 0.051 4.531 4.480 -0.000 0.000 0.226 285 M C -0.181 176.126 176.300 0.012 0.000 1.148 285 M CA 0.205 55.486 55.300 -0.032 0.000 1.007 285 M CB -0.420 32.113 32.600 -0.112 0.000 1.651 285 M HN -0.004 nan 8.290 nan 0.000 0.488 286 N N 1.235 119.956 118.700 0.034 0.000 2.725 286 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 286 N C 0.162 175.713 175.510 0.068 0.000 1.031 286 N CA 0.936 54.015 53.050 0.048 0.000 0.720 286 N CB -1.222 37.287 38.487 0.037 0.000 0.930 286 N HN 0.538 nan 8.380 nan 0.000 0.543 287 A N -0.606 122.281 122.820 0.111 0.000 2.568 287 A HA 0.353 4.672 4.320 -0.000 0.000 0.287 287 A C 1.498 179.238 177.584 0.260 0.000 0.967 287 A CA -0.437 51.717 52.037 0.194 0.000 1.004 287 A CB 0.241 19.402 19.000 0.268 0.000 1.233 287 A HN 0.223 nan 8.150 nan 0.000 0.513 288 L N 0.222 121.521 121.223 0.127 0.000 2.261 288 L HA -0.239 4.101 4.340 -0.000 0.000 0.216 288 L C 2.978 179.870 176.870 0.036 0.000 1.114 288 L CA 1.586 56.460 54.840 0.057 0.000 0.777 288 L CB -0.168 41.867 42.059 -0.039 0.000 0.910 288 L HN 0.762 nan 8.230 nan 0.000 0.440 289 Q N -0.508 119.251 119.800 -0.068 0.000 2.364 289 Q HA -0.220 4.120 4.340 -0.000 0.000 0.209 289 Q C 1.001 176.903 176.000 -0.164 0.000 0.977 289 Q CA 1.513 57.217 55.803 -0.165 0.000 0.885 289 Q CB -0.368 28.201 28.738 -0.280 0.000 0.941 289 Q HN 0.598 nan 8.270 nan 0.000 0.464 290 H N -1.170 118.003 119.070 0.173 0.000 2.652 290 H HA 0.126 4.682 4.556 -0.000 0.000 0.274 290 H C 1.077 176.435 175.328 0.050 0.000 1.021 290 H CA -0.212 55.947 56.048 0.185 0.000 1.187 290 H CB -0.097 29.855 29.762 0.317 0.000 1.505 290 H HN 0.208 nan 8.280 nan 0.000 0.530 291 F N 2.514 122.309 119.950 -0.259 0.000 2.113 291 F HA -0.128 4.398 4.527 -0.001 0.000 0.297 291 F C 2.437 178.035 175.800 -0.337 0.000 1.103 291 F CA 1.731 59.257 58.000 -0.790 0.000 1.248 291 F CB -0.004 38.595 39.000 -0.668 0.000 0.999 291 F HN 0.104 nan 8.300 nan 0.000 0.475 292 E N 0.199 120.231 120.200 -0.280 0.000 2.058 292 E HA -0.238 4.111 4.350 -0.000 0.000 0.194 292 E C 2.264 178.763 176.600 -0.168 0.000 0.997 292 E CA 1.281 57.517 56.400 -0.273 0.000 0.801 292 E CB -0.406 29.249 29.700 -0.076 0.000 0.746 292 E HN 0.452 nan 8.360 nan 0.000 0.450 293 A N 0.514 123.314 122.820 -0.035 0.000 1.902 293 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 293 A C 2.033 179.642 177.584 0.042 0.000 1.181 293 A CA 1.386 53.438 52.037 0.025 0.000 0.623 293 A CB -0.943 18.113 19.000 0.093 0.000 0.818 293 A HN 0.548 nan 8.150 nan 0.000 0.443 294 F N 0.331 120.222 119.950 -0.098 0.000 2.134 294 F HA -0.242 4.285 4.527 -0.001 0.000 0.299 294 F C 2.329 178.065 175.800 -0.107 0.000 1.097 294 F CA 1.959 59.931 58.000 -0.046 0.000 1.264 294 F CB -0.437 38.558 39.000 -0.007 0.000 1.001 294 F HN 0.289 nan 8.300 nan 0.000 0.479 295 C N -0.665 118.506 119.300 -0.214 0.000 2.467 295 C HA 0.054 4.513 4.460 -0.000 0.000 0.279 295 C C 2.240 177.156 174.990 -0.123 0.000 1.347 295 C CA 1.335 60.187 59.018 -0.277 0.000 1.748 295 C CB -0.867 26.567 27.740 -0.510 0.000 1.977 295 C HN 0.572 nan 8.230 nan 0.000 0.501 296 S N -1.693 113.944 115.700 -0.105 0.000 2.820 296 S HA 0.189 4.659 4.470 -0.000 0.000 0.265 296 S C 0.836 175.418 174.600 -0.030 0.000 1.043 296 S CA 0.013 58.182 58.200 -0.053 0.000 1.245 296 S CB 0.604 63.740 63.200 -0.106 0.000 1.187 296 S HN 0.335 nan 8.310 nan 0.000 0.673 297 V N 1.288 121.172 119.914 -0.049 0.000 3.141 297 V HA 0.125 4.244 4.120 -0.000 0.000 0.225 297 V C 1.524 177.549 176.094 -0.115 0.000 1.352 297 V CA 0.312 62.578 62.300 -0.057 0.000 1.316 297 V CB -0.381 31.425 31.823 -0.028 0.000 1.126 297 V HN 0.219 nan 8.190 nan 0.000 0.493 298 N N 1.932 120.562 118.700 -0.116 0.000 2.084 298 N HA -0.111 4.629 4.740 -0.000 0.000 0.190 298 N C 1.838 177.057 175.510 -0.484 0.000 1.030 298 N CA 1.889 54.858 53.050 -0.134 0.000 0.849 298 N CB -0.700 37.819 38.487 0.052 0.000 1.012 298 N HN 0.501 nan 8.380 nan 0.000 0.423 299 G N 1.883 110.101 108.800 -0.970 0.000 2.453 299 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.215 299 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.215 299 G C -0.759 173.343 174.900 -1.331 0.000 1.201 299 G CA 0.635 44.425 45.100 -2.182 0.000 0.784 299 G HN 0.324 nan 8.290 nan 0.000 0.545 300 P HA -0.172 nan 4.420 nan 0.000 0.216 300 P C 1.786 178.960 177.300 -0.209 0.000 1.154 300 P CA 1.810 64.754 63.100 -0.259 0.000 0.865 300 P CB -0.012 31.663 31.700 -0.042 0.000 0.789 301 Q N -1.166 118.510 119.800 -0.208 0.000 2.050 301 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 301 Q C 1.940 177.868 176.000 -0.120 0.000 0.980 301 Q CA 1.627 57.353 55.803 -0.128 0.000 0.840 301 Q CB -1.307 27.375 28.738 -0.093 0.000 0.898 301 Q HN 0.137 nan 8.270 nan 0.000 0.424 302 F N -0.688 119.081 119.950 -0.302 0.000 2.134 302 F HA -0.153 4.373 4.527 -0.001 0.000 0.299 302 F C 1.243 176.884 175.800 -0.265 0.000 1.097 302 F CA 1.345 59.190 58.000 -0.259 0.000 1.264 302 F CB -0.191 38.670 39.000 -0.232 0.000 1.001 302 F HN 0.150 nan 8.300 nan 0.000 0.479 303 Y N 0.370 120.486 120.300 -0.307 0.000 2.578 303 Y HA 0.204 4.753 4.550 -0.001 0.000 0.297 303 Y C 1.823 177.627 175.900 -0.161 0.000 1.176 303 Y CA 0.539 58.501 58.100 -0.229 0.000 1.315 303 Y CB -0.489 37.827 38.460 -0.240 0.000 1.031 303 Y HN 0.178 nan 8.280 nan 0.000 0.524 304 G N 0.863 109.630 108.800 -0.054 0.000 2.221 304 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.265 304 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.265 304 G C -0.316 174.586 174.900 0.002 0.000 1.041 304 G CA 0.218 45.293 45.100 -0.043 0.000 0.807 304 G HN 0.290 nan 8.290 nan 0.000 0.502 305 L N -0.397 120.836 121.223 0.016 0.000 2.333 305 L HA 0.593 4.932 4.340 -0.000 0.000 0.269 305 L C -1.941 174.935 176.870 0.010 0.000 1.010 305 L CA -2.677 52.182 54.840 0.033 0.000 0.818 305 L CB 1.988 44.104 42.059 0.096 0.000 1.306 305 L HN -0.123 nan 8.230 nan 0.000 0.430 306 P HA 0.081 nan 4.420 nan 0.000 0.272 306 P C -0.657 176.638 177.300 -0.007 0.000 1.223 306 P CA -0.405 62.688 63.100 -0.011 0.000 0.784 306 P CB 0.565 32.253 31.700 -0.020 0.000 0.923 307 V N -0.513 119.389 119.914 -0.019 0.000 3.051 307 V HA 0.260 4.380 4.120 -0.000 0.000 0.306 307 V C 0.420 176.476 176.094 -0.063 0.000 1.083 307 V CA -0.736 61.546 62.300 -0.029 0.000 1.104 307 V CB -0.047 31.756 31.823 -0.034 0.000 1.027 307 V HN 0.340 nan 8.190 nan 0.000 0.483 308 N N 2.783 121.425 118.700 -0.097 0.000 2.441 308 N HA 0.093 4.833 4.740 -0.000 0.000 0.251 308 N C 0.229 175.595 175.510 -0.240 0.000 1.242 308 N CA 0.489 53.445 53.050 -0.158 0.000 0.898 308 N CB 0.720 39.096 38.487 -0.185 0.000 1.100 308 N HN 1.017 nan 8.380 nan 0.000 0.443 309 D N -2.270 117.993 120.400 -0.228 0.000 2.462 309 D HA 0.018 4.658 4.640 -0.000 0.000 0.221 309 D C 0.080 176.180 176.300 -0.332 0.000 1.173 309 D CA -0.310 53.554 54.000 -0.226 0.000 0.831 309 D CB -0.241 40.511 40.800 -0.080 0.000 1.001 309 D HN 0.432 nan 8.370 nan 0.000 0.499 310 T N -2.879 111.378 114.554 -0.494 0.000 2.940 310 T HA 0.728 5.078 4.350 -0.000 0.000 0.288 310 T C -0.576 173.578 174.700 -0.910 0.000 1.045 310 T CA -0.846 60.977 62.100 -0.461 0.000 1.018 310 T CB 1.401 70.161 68.868 -0.179 0.000 1.151 310 T HN -0.070 nan 8.240 nan 0.000 0.529 311 F N 0.340 120.275 119.950 -0.025 0.000 2.576 311 F HA 0.722 5.249 4.527 -0.000 0.000 0.313 311 F C -0.015 175.768 175.800 -0.028 0.000 1.078 311 F CA -1.346 56.638 58.000 -0.027 0.000 0.921 311 F CB 1.881 40.872 39.000 -0.015 0.000 1.232 311 F HN 0.820 nan 8.300 nan 0.000 0.459 312 I N -1.596 119.045 120.570 0.118 0.000 3.002 312 I HA 0.761 4.930 4.170 -0.000 0.000 0.310 312 I C -1.358 174.816 176.117 0.094 0.000 1.087 312 I CA -0.832 60.507 61.300 0.066 0.000 1.017 312 I CB 2.650 40.641 38.000 -0.016 0.000 1.226 312 I HN 0.529 nan 8.210 nan 0.000 0.443 313 E N 2.844 123.093 120.200 0.083 0.000 2.248 313 E HA 0.612 4.962 4.350 -0.000 0.000 0.267 313 E C -1.602 175.072 176.600 0.124 0.000 0.877 313 E CA -0.770 55.693 56.400 0.105 0.000 0.759 313 E CB 2.982 32.738 29.700 0.094 0.000 1.182 313 E HN 0.455 nan 8.360 nan 0.000 0.418 314 L N 2.469 123.795 121.223 0.173 0.000 2.317 314 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 314 L C -0.728 176.383 176.870 0.402 0.000 1.024 314 L CA -0.875 54.124 54.840 0.265 0.000 0.810 314 L CB 1.625 43.824 42.059 0.234 0.000 1.240 314 L HN 0.248 nan 8.230 nan 0.000 0.427 315 V N 1.830 121.953 119.914 0.349 0.000 2.715 315 V HA 0.442 4.562 4.120 -0.000 0.000 0.310 315 V C 0.135 176.217 176.094 -0.020 0.000 1.054 315 V CA -0.874 61.543 62.300 0.195 0.000 0.928 315 V CB 1.839 33.702 31.823 0.068 0.000 1.007 315 V HN 0.662 nan 8.190 nan 0.000 0.437 316 R N 2.396 122.599 120.500 -0.495 0.000 4.071 316 R HA 0.290 4.630 4.340 -0.000 0.000 0.220 316 R C -0.398 175.616 176.300 -0.476 0.000 1.614 316 R CA 0.040 55.536 56.100 -1.007 0.000 1.505 316 R CB -0.019 29.429 30.300 -1.419 0.000 1.384 316 R HN 0.793 nan 8.270 nan 0.000 0.758 317 E N 1.345 121.380 120.200 -0.276 0.000 2.224 317 E HA 0.123 4.473 4.350 -0.000 0.000 0.265 317 E C -1.050 175.481 176.600 -0.116 0.000 0.878 317 E CA -0.704 55.600 56.400 -0.159 0.000 0.759 317 E CB 2.226 31.874 29.700 -0.086 0.000 1.164 317 E HN 0.347 nan 8.360 nan 0.000 0.414 318 E N 2.547 122.684 120.200 -0.104 0.000 2.328 318 E HA 0.005 4.355 4.350 -0.000 0.000 0.265 318 E C -0.437 176.143 176.600 -0.032 0.000 1.057 318 E CA 0.362 56.721 56.400 -0.068 0.000 0.916 318 E CB 0.744 30.405 29.700 -0.065 0.000 0.993 318 E HN 0.233 nan 8.360 nan 0.000 0.446 319 Q N 2.344 122.138 119.800 -0.011 0.000 2.282 319 Q HA 0.161 4.501 4.340 -0.000 0.000 0.260 319 Q C -0.553 175.450 176.000 0.005 0.000 0.964 319 Q CA -0.823 54.984 55.803 0.006 0.000 0.880 319 Q CB 1.706 30.460 28.738 0.027 0.000 1.286 319 Q HN 0.373 nan 8.270 nan 0.000 0.445 320 Q N 1.839 121.642 119.800 0.005 0.000 2.288 320 Q HA 0.221 4.560 4.340 -0.000 0.000 0.258 320 Q C -0.690 175.316 176.000 0.009 0.000 0.957 320 Q CA -0.134 55.671 55.803 0.002 0.000 0.919 320 Q CB 1.412 30.151 28.738 0.002 0.000 1.185 320 Q HN 0.421 nan 8.270 nan 0.000 0.408 321 V N 2.322 122.235 119.914 -0.002 0.000 2.583 321 V HA 0.220 4.340 4.120 -0.000 0.000 0.287 321 V C 0.556 176.652 176.094 0.003 0.000 1.051 321 V CA -0.643 61.657 62.300 -0.000 0.000 1.010 321 V CB 1.026 32.833 31.823 -0.028 0.000 0.988 321 V HN 0.881 nan 8.190 nan 0.000 0.478 322 A N 4.036 126.869 122.820 0.022 0.000 2.561 322 A HA 0.097 4.417 4.320 -0.000 0.000 0.234 322 A C 1.287 178.875 177.584 0.005 0.000 1.055 322 A CA -0.027 52.027 52.037 0.027 0.000 0.756 322 A CB 0.056 19.090 19.000 0.056 0.000 0.986 322 A HN 0.917 nan 8.150 nan 0.000 0.505 323 E N 0.336 120.539 120.200 0.004 0.000 2.107 323 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 323 E C 0.688 177.279 176.600 -0.016 0.000 0.982 323 E CA 1.484 57.877 56.400 -0.012 0.000 0.809 323 E CB -0.101 29.596 29.700 -0.004 0.000 0.756 323 E HN 0.832 nan 8.360 nan 0.000 0.459 324 S N -0.810 114.896 115.700 0.010 0.000 2.588 324 S HA 0.601 5.071 4.470 -0.000 0.000 0.269 324 S C -0.734 173.896 174.600 0.049 0.000 1.157 324 S CA -0.945 57.265 58.200 0.016 0.000 0.824 324 S CB 1.409 64.616 63.200 0.013 0.000 1.126 324 S HN 0.019 nan 8.310 nan 0.000 0.464 325 I N 1.474 122.077 120.570 0.055 0.000 2.465 325 I HA 0.618 4.787 4.170 -0.000 0.000 0.291 325 I C 0.433 176.588 176.117 0.064 0.000 1.014 325 I CA -0.966 60.386 61.300 0.088 0.000 1.093 325 I CB 1.847 39.914 38.000 0.111 0.000 1.267 325 I HN 0.981 nan 8.210 nan 0.000 0.431 326 A N 7.546 130.412 122.820 0.076 0.000 2.477 326 A HA 0.600 4.920 4.320 -0.000 0.000 0.246 326 A C -0.375 177.239 177.584 0.050 0.000 1.078 326 A CA 0.181 52.253 52.037 0.059 0.000 0.770 326 A CB 0.169 19.204 19.000 0.058 0.000 1.011 326 A HN 0.677 nan 8.150 nan 0.000 0.494 327 L N 1.314 122.559 121.223 0.037 0.000 2.271 327 L HA 0.407 4.747 4.340 -0.000 0.000 0.265 327 L C 1.609 178.497 176.870 0.030 0.000 1.013 327 L CA -0.816 54.040 54.840 0.027 0.000 0.820 327 L CB 1.207 43.274 42.059 0.013 0.000 1.352 327 L HN 0.798 nan 8.230 nan 0.000 0.443 328 T N -0.943 113.626 114.554 0.025 0.000 2.699 328 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 328 T C 0.097 174.811 174.700 0.024 0.000 1.036 328 T CA 1.588 63.702 62.100 0.023 0.000 1.147 328 T CB -0.204 68.676 68.868 0.020 0.000 0.862 328 T HN 0.517 nan 8.240 nan 0.000 0.446 329 D N -0.238 120.178 120.400 0.026 0.000 2.964 329 D HA 0.417 5.057 4.640 -0.000 0.000 0.234 329 D C -0.814 175.513 176.300 0.045 0.000 1.223 329 D CA -0.334 53.684 54.000 0.029 0.000 0.889 329 D CB 1.199 42.012 40.800 0.021 0.000 1.609 329 D HN -0.056 nan 8.370 nan 0.000 0.523 330 D N 0.370 120.806 120.400 0.060 0.000 4.658 330 D HA -0.160 4.479 4.640 -0.000 0.000 0.304 330 D C -0.851 175.500 176.300 0.086 0.000 2.363 330 D CA 1.416 55.482 54.000 0.110 0.000 1.179 330 D CB -0.464 40.425 40.800 0.149 0.000 1.091 330 D HN 0.462 nan 8.370 nan 0.000 1.274 331 T N -1.910 112.701 114.554 0.095 0.000 2.888 331 T HA 0.662 5.012 4.350 -0.000 0.000 0.288 331 T C -0.577 174.138 174.700 0.025 0.000 1.063 331 T CA -0.919 61.212 62.100 0.052 0.000 1.010 331 T CB 1.625 70.523 68.868 0.050 0.000 1.214 331 T HN 0.509 nan 8.240 nan 0.000 0.533 332 L N 1.569 122.789 121.223 -0.005 0.000 2.333 332 L HA 0.684 5.024 4.340 -0.000 0.000 0.280 332 L C -0.974 175.891 176.870 -0.008 0.000 1.004 332 L CA -0.810 54.005 54.840 -0.043 0.000 0.820 332 L CB 1.609 43.567 42.059 -0.169 0.000 1.247 332 L HN 0.659 nan 8.230 nan 0.000 0.416 333 V N 7.632 127.532 119.914 -0.024 0.000 2.348 333 V HA 0.424 4.544 4.120 -0.000 0.000 0.270 333 V C -1.907 174.181 176.094 -0.010 0.000 1.037 333 V CA -1.290 60.933 62.300 -0.129 0.000 0.872 333 V CB 0.747 32.269 31.823 -0.503 0.000 1.002 333 V HN 0.718 nan 8.190 nan 0.000 0.464 334 P HA 0.157 nan 4.420 nan 0.000 0.274 334 P C -0.353 176.993 177.300 0.077 0.000 1.231 334 P CA -0.571 62.609 63.100 0.134 0.000 0.790 334 P CB 0.609 32.320 31.700 0.019 0.000 0.951 335 F N 4.044 123.977 119.950 -0.029 0.000 2.623 335 F HA -0.011 4.516 4.527 -0.001 0.000 0.383 335 F C 1.256 177.049 175.800 -0.011 0.000 1.077 335 F CA 0.523 58.521 58.000 -0.003 0.000 1.268 335 F CB -0.444 38.549 39.000 -0.012 0.000 1.053 335 F HN 0.298 nan 8.300 nan 0.000 0.571 336 L N 3.621 124.565 121.223 -0.465 0.000 4.560 336 L HA -0.243 4.097 4.340 -0.000 0.000 0.415 336 L C 0.687 177.454 176.870 -0.171 0.000 1.123 336 L CA 0.083 54.694 54.840 -0.381 0.000 0.991 336 L CB -2.384 39.422 42.059 -0.422 0.000 2.127 336 L HN 0.885 nan 8.230 nan 0.000 0.765 337 A N 0.544 123.288 122.820 -0.126 0.000 2.584 337 A HA 0.367 4.687 4.320 -0.000 0.000 0.239 337 A C 1.700 179.244 177.584 -0.067 0.000 1.043 337 A CA 1.407 53.394 52.037 -0.084 0.000 0.756 337 A CB 0.071 19.010 19.000 -0.102 0.000 0.963 337 A HN 1.558 nan 8.150 nan 0.000 0.511 338 G N 1.754 110.528 108.800 -0.043 0.000 2.212 338 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.266 338 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.266 338 G C 0.159 175.040 174.900 -0.031 0.000 0.978 338 G CA 0.957 46.039 45.100 -0.030 0.000 0.632 338 G HN 0.922 nan 8.290 nan 0.000 0.537 339 E N 0.081 120.254 120.200 -0.046 0.000 2.312 339 E HA 0.589 4.939 4.350 -0.000 0.000 0.259 339 E C -0.107 176.473 176.600 -0.032 0.000 1.122 339 E CA -0.112 56.263 56.400 -0.042 0.000 0.922 339 E CB 0.740 30.404 29.700 -0.060 0.000 1.109 339 E HN 0.105 nan 8.360 nan 0.000 0.442 340 T N 1.060 115.598 114.554 -0.025 0.000 2.771 340 T HA 0.394 4.743 4.350 -0.000 0.000 0.281 340 T C -0.502 174.187 174.700 -0.019 0.000 0.982 340 T CA -0.772 61.316 62.100 -0.020 0.000 0.978 340 T CB 0.765 69.622 68.868 -0.019 0.000 0.930 340 T HN 0.309 nan 8.240 nan 0.000 0.447 341 V N 2.172 122.082 119.914 -0.008 0.000 2.732 341 V HA 0.615 4.735 4.120 -0.000 0.000 0.310 341 V C 1.208 177.308 176.094 0.011 0.000 1.053 341 V CA -1.017 61.290 62.300 0.013 0.000 0.957 341 V CB 1.904 33.749 31.823 0.037 0.000 1.018 341 V HN 0.852 nan 8.190 nan 0.000 0.452 342 R N 1.225 121.743 120.500 0.030 0.000 2.156 342 R HA 0.188 4.528 4.340 -0.000 0.000 0.207 342 R C -0.388 175.792 176.300 -0.200 0.000 1.040 342 R CA 0.280 56.329 56.100 -0.086 0.000 1.013 342 R CB 0.278 30.543 30.300 -0.059 0.000 0.931 342 R HN 0.735 nan 8.270 nan 0.000 0.465 343 W N 0.249 121.542 121.300 -0.012 0.000 2.632 343 W HA 0.428 5.087 4.660 -0.001 0.000 0.328 343 W C -0.671 175.857 176.519 0.015 0.000 1.044 343 W CA -0.467 56.875 57.345 -0.005 0.000 1.225 343 W CB 2.099 31.549 29.460 -0.017 0.000 1.396 343 W HN -0.179 nan 8.180 nan 0.000 0.499 344 S N 0.942 116.800 115.700 0.265 0.000 2.542 344 S HA 0.525 4.995 4.470 -0.000 0.000 0.293 344 S C -0.897 173.807 174.600 0.173 0.000 1.089 344 S CA -0.911 57.392 58.200 0.172 0.000 0.961 344 S CB 1.651 64.908 63.200 0.094 0.000 1.062 344 S HN 0.168 nan 8.310 nan 0.000 0.483 345 V N 3.088 123.077 119.914 0.124 0.000 2.439 345 V HA 0.188 4.307 4.120 -0.000 0.000 0.271 345 V C 0.789 176.925 176.094 0.070 0.000 1.040 345 V CA -0.083 62.271 62.300 0.090 0.000 1.002 345 V CB 0.365 32.214 31.823 0.043 0.000 1.000 345 V HN 0.746 nan 8.190 nan 0.000 0.477 346 K N 0.000 120.445 120.400 0.075 0.000 2.780 346 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 346 K CA 0.000 56.321 56.287 0.057 0.000 0.838 346 K CB 0.000 32.538 32.500 0.064 0.000 1.064 346 K HN 0.000 nan 8.250 nan 0.000 0.543