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 1vkz_1_B DATA FIRST_RESID 4 DATA SEQUENCE VRVHILGSGG REHAIGWAFA KQGYEVHFYP GNAGTKRDGT NHPYEGEKTL DATA SEQUENCE KAIPEEDIVI PGSEEFLVEX XXXXRSNVFG PVKEVARLEG SKVYAKRFXK DATA SEQUENCE KYGIRTARFE VAETPEELRE KIKKFSPPYV IKADGLARGK GVLILDSKEE DATA SEQUENCE TIEKGSKLII GELIKGVKGP VVIDEFLAGN ELSAXAVVNG RNFVILPFVR DATA SEQUENCE DYKRLXDGDR GPNTGGXGSW GPVEIPSDTI KKIEELFDKT LWGVEKEGYA DATA SEQUENCE YRGFLYLGLX LHDGDPYILE YNVRLGDPET EVIVTLNPEG FVNAVLEGYR DATA SEQUENCE GGKXEPVEPR GFAVDVVLAA RGYPDAPEKG KEITLPEEGL IFFAGVAEKD DATA SEQUENCE GKLVTNGGRV LHCXGTGETK EEARRKAYEL AEKVHFEGKT YRRDIA 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 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.194 176.094 0.166 0.000 1.182 4 V CA 0.000 62.375 62.300 0.124 0.000 1.235 4 V CB 0.000 31.854 31.823 0.051 0.000 1.184 5 R N 0.355 120.913 120.500 0.096 0.000 2.599 5 R HA 0.777 5.117 4.340 -0.000 0.000 0.295 5 R C -1.232 174.993 176.300 -0.124 0.000 0.963 5 R CA -0.496 55.611 56.100 0.010 0.000 0.883 5 R CB 2.982 33.302 30.300 0.033 0.000 1.171 5 R HN 0.073 nan 8.270 nan 0.000 0.450 6 V N 3.493 123.238 119.914 -0.280 0.000 2.435 6 V HA 0.314 4.433 4.120 -0.000 0.000 0.290 6 V C -0.230 175.647 176.094 -0.361 0.000 1.030 6 V CA -0.695 61.355 62.300 -0.417 0.000 0.881 6 V CB 1.498 32.879 31.823 -0.736 0.000 0.983 6 V HN 0.710 nan 8.190 nan 0.000 0.445 7 H N 5.299 124.292 119.070 -0.127 0.000 2.646 7 H HA 0.525 5.080 4.556 -0.000 0.000 0.328 7 H C -0.861 174.479 175.328 0.020 0.000 0.998 7 H CA -0.407 55.680 56.048 0.065 0.000 1.225 7 H CB 2.108 31.884 29.762 0.024 0.000 1.457 7 H HN 0.461 nan 8.280 nan 0.000 0.505 8 I N 4.644 125.336 120.570 0.204 0.000 2.355 8 I HA 0.062 4.232 4.170 -0.000 0.000 0.288 8 I C -0.531 175.766 176.117 0.301 0.000 0.999 8 I CA -0.974 60.432 61.300 0.177 0.000 1.163 8 I CB 1.402 39.483 38.000 0.136 0.000 1.316 8 I HN 0.185 nan 8.210 nan 0.000 0.454 9 L N 6.301 127.611 121.223 0.144 0.000 2.313 9 L HA 0.732 5.072 4.340 -0.000 0.000 0.282 9 L C 0.704 177.590 176.870 0.027 0.000 1.092 9 L CA 0.316 55.174 54.840 0.030 0.000 0.831 9 L CB 0.115 42.072 42.059 -0.169 0.000 1.159 9 L HN 0.886 nan 8.230 nan 0.000 0.442 10 G N 2.143 110.972 108.800 0.048 0.000 2.346 10 G HA2 0.249 4.209 3.960 -0.000 0.000 0.294 10 G HA3 0.249 4.209 3.960 -0.000 0.000 0.294 10 G C -0.346 174.596 174.900 0.068 0.000 1.294 10 G CA -0.104 45.011 45.100 0.026 0.000 0.962 10 G HN 0.694 nan 8.290 nan 0.000 0.508 11 S N -1.386 114.332 115.700 0.031 0.000 2.911 11 S HA 0.593 5.063 4.470 -0.000 0.000 0.261 11 S C 0.893 175.496 174.600 0.003 0.000 1.021 11 S CA 0.918 59.123 58.200 0.007 0.000 1.222 11 S CB 0.621 63.823 63.200 0.004 0.000 1.171 11 S HN 1.906 nan 8.310 nan 0.000 0.669 12 G N 0.745 109.557 108.800 0.020 0.000 2.568 12 G HA2 0.550 4.510 3.960 -0.000 0.000 0.293 12 G HA3 0.550 4.510 3.960 -0.000 0.000 0.293 12 G C 0.903 175.825 174.900 0.037 0.000 1.347 12 G CA -0.235 44.887 45.100 0.038 0.000 1.039 12 G HN 0.298 nan 8.290 nan 0.000 0.523 13 G N -1.057 107.746 108.800 0.006 0.000 2.448 13 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 13 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 13 G C 1.655 176.357 174.900 -0.331 0.000 1.135 13 G CA 0.966 45.964 45.100 -0.170 0.000 0.784 13 G HN 0.593 nan 8.290 nan 0.000 0.543 14 R N 0.503 120.841 120.500 -0.270 0.000 2.083 14 R HA -0.105 4.235 4.340 -0.000 0.000 0.237 14 R C 2.298 178.515 176.300 -0.139 0.000 1.137 14 R CA 1.889 57.837 56.100 -0.253 0.000 0.951 14 R CB -0.217 29.978 30.300 -0.175 0.000 0.851 14 R HN 0.281 nan 8.270 nan 0.000 0.434 15 E N -0.646 119.548 120.200 -0.010 0.000 2.072 15 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 15 E C 1.832 178.606 176.600 0.289 0.000 0.985 15 E CA 1.530 58.019 56.400 0.149 0.000 0.801 15 E CB -0.371 29.432 29.700 0.172 0.000 0.750 15 E HN 0.547 nan 8.360 nan 0.000 0.452 16 H N -0.448 118.635 119.070 0.022 0.000 2.353 16 H HA -0.060 4.496 4.556 -0.000 0.000 0.300 16 H C 1.947 177.306 175.328 0.052 0.000 1.090 16 H CA 0.966 57.049 56.048 0.058 0.000 1.327 16 H CB 0.146 29.945 29.762 0.062 0.000 1.383 16 H HN 0.234 nan 8.280 nan 0.000 0.508 17 A N 1.115 123.665 122.820 -0.450 0.000 1.883 17 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 17 A C 2.471 179.970 177.584 -0.142 0.000 1.186 17 A CA 1.680 53.172 52.037 -0.907 0.000 0.624 17 A CB -0.794 17.411 19.000 -1.326 0.000 0.822 17 A HN 0.462 nan 8.150 nan 0.000 0.444 18 I N -0.332 120.227 120.570 -0.019 0.000 2.179 18 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 18 I C 2.691 179.083 176.117 0.459 0.000 1.088 18 I CA 1.222 62.660 61.300 0.229 0.000 1.357 18 I CB -0.613 37.577 38.000 0.316 0.000 1.051 18 I HN 0.393 nan 8.210 nan 0.000 0.409 19 G N -0.173 108.925 108.800 0.497 0.000 2.432 19 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.219 19 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.219 19 G C 1.393 176.610 174.900 0.529 0.000 1.135 19 G CA 0.429 45.836 45.100 0.512 0.000 0.767 19 G HN 0.539 nan 8.290 nan 0.000 0.550 20 W N 1.725 123.231 121.300 0.344 0.000 2.378 20 W HA 0.101 4.760 4.660 -0.000 0.000 0.313 20 W C 2.644 179.281 176.519 0.196 0.000 1.197 20 W CA 2.167 59.675 57.345 0.272 0.000 1.304 20 W CB -0.316 29.294 29.460 0.250 0.000 1.148 20 W HN 0.216 nan 8.180 nan 0.000 0.494 21 A N -0.019 122.811 122.820 0.016 0.000 1.883 21 A HA -0.188 4.131 4.320 -0.000 0.000 0.217 21 A C 1.924 179.354 177.584 -0.256 0.000 1.186 21 A CA 1.827 53.685 52.037 -0.297 0.000 0.624 21 A CB -1.486 17.474 19.000 -0.066 0.000 0.822 21 A HN 0.400 nan 8.150 nan 0.000 0.444 22 F N 0.109 120.057 119.950 -0.004 0.000 2.102 22 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 22 F C 2.834 178.659 175.800 0.042 0.000 1.105 22 F CA 1.257 59.257 58.000 -0.000 0.000 1.239 22 F CB -0.619 38.343 39.000 -0.063 0.000 0.991 22 F HN 0.256 nan 8.300 nan 0.000 0.474 23 A N -0.500 122.411 122.820 0.153 0.000 1.972 23 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 23 A C 2.178 179.733 177.584 -0.048 0.000 1.169 23 A CA 1.827 53.905 52.037 0.069 0.000 0.635 23 A CB -0.769 18.280 19.000 0.081 0.000 0.810 23 A HN 0.372 nan 8.150 nan 0.000 0.446 24 K N -0.648 119.617 120.400 -0.225 0.000 2.147 24 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 24 K C 1.287 177.800 176.600 -0.146 0.000 1.049 24 K CA 1.316 57.421 56.287 -0.303 0.000 0.936 24 K CB -0.002 32.099 32.500 -0.665 0.000 0.722 24 K HN 0.388 nan 8.250 nan 0.000 0.446 25 Q N -0.763 119.006 119.800 -0.052 0.000 2.320 25 Q HA 0.136 4.476 4.340 -0.000 0.000 0.201 25 Q C 0.835 176.842 176.000 0.011 0.000 0.910 25 Q CA 0.817 56.640 55.803 0.033 0.000 0.946 25 Q CB 1.128 29.965 28.738 0.164 0.000 1.062 25 Q HN 0.559 nan 8.270 nan 0.000 0.503 26 G N 0.209 109.008 108.800 -0.003 0.000 2.157 26 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.239 26 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.239 26 G C -0.230 174.598 174.900 -0.119 0.000 0.982 26 G CA -0.235 44.811 45.100 -0.089 0.000 0.650 26 G HN 0.328 nan 8.290 nan 0.000 0.527 27 Y N 0.552 120.862 120.300 0.017 0.000 2.300 27 Y HA 0.526 5.076 4.550 -0.000 0.000 0.328 27 Y C 1.026 176.895 175.900 -0.050 0.000 1.270 27 Y CA -0.328 57.776 58.100 0.008 0.000 1.352 27 Y CB 0.697 39.199 38.460 0.069 0.000 1.286 27 Y HN 0.138 nan 8.280 nan 0.000 0.536 28 E N 1.301 121.542 120.200 0.069 0.000 2.229 28 E HA 0.382 4.732 4.350 -0.000 0.000 0.283 28 E C -1.549 174.901 176.600 -0.249 0.000 1.030 28 E CA -0.365 55.983 56.400 -0.087 0.000 0.836 28 E CB 0.948 30.622 29.700 -0.043 0.000 1.068 28 E HN 0.349 nan 8.360 nan 0.000 0.401 29 V N 5.866 125.532 119.914 -0.413 0.000 2.487 29 V HA 0.242 4.362 4.120 -0.000 0.000 0.298 29 V C -0.577 175.036 176.094 -0.802 0.000 1.028 29 V CA -0.747 61.230 62.300 -0.538 0.000 0.860 29 V CB 1.542 33.130 31.823 -0.393 0.000 0.991 29 V HN 0.659 nan 8.190 nan 0.000 0.427 30 H N 4.827 123.639 119.070 -0.429 0.000 2.481 30 H HA 0.510 5.066 4.556 -0.000 0.000 0.333 30 H C -1.184 173.961 175.328 -0.305 0.000 1.066 30 H CA -0.299 55.603 56.048 -0.242 0.000 1.209 30 H CB 1.662 31.390 29.762 -0.058 0.000 1.445 30 H HN 0.454 nan 8.280 nan 0.000 0.488 31 F N 2.039 121.959 119.950 -0.049 0.000 2.480 31 F HA 0.323 4.850 4.527 -0.000 0.000 0.329 31 F C -0.554 175.149 175.800 -0.162 0.000 1.091 31 F CA -0.802 57.205 58.000 0.012 0.000 0.972 31 F CB 1.329 40.321 39.000 -0.015 0.000 1.150 31 F HN 0.388 nan 8.300 nan 0.000 0.467 32 Y N 2.642 123.140 120.300 0.330 0.000 2.445 32 Y HA 0.287 4.837 4.550 -0.000 0.000 0.332 32 Y C -2.145 173.848 175.900 0.156 0.000 1.037 32 Y CA -2.198 56.063 58.100 0.269 0.000 1.296 32 Y CB 1.149 39.794 38.460 0.308 0.000 1.099 32 Y HN 0.309 nan 8.280 nan 0.000 0.496 33 P HA 0.174 nan 4.420 nan 0.000 0.261 33 P C 0.897 178.242 177.300 0.074 0.000 1.268 33 P CA 0.992 64.192 63.100 0.166 0.000 0.833 33 P CB 0.943 32.719 31.700 0.127 0.000 1.231 34 G N 1.570 110.418 108.800 0.080 0.000 2.641 34 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 34 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 34 G C -0.486 174.334 174.900 -0.133 0.000 1.315 34 G CA 0.180 45.228 45.100 -0.088 0.000 0.907 34 G HN 0.731 nan 8.290 nan 0.000 0.572 35 N N -2.994 115.559 118.700 -0.245 0.000 3.243 35 N HA 0.731 5.471 4.740 -0.000 0.000 0.280 35 N C 0.963 176.306 175.510 -0.278 0.000 1.545 35 N CA 0.679 53.610 53.050 -0.199 0.000 0.854 35 N CB 0.704 39.105 38.487 -0.143 0.000 1.612 35 N HN 1.596 nan 8.380 nan 0.000 0.577 36 A N -0.963 121.711 122.820 -0.243 0.000 2.121 36 A HA 0.158 4.478 4.320 -0.000 0.000 0.218 36 A C 1.727 179.011 177.584 -0.500 0.000 1.154 36 A CA 1.662 53.523 52.037 -0.294 0.000 0.679 36 A CB -1.493 17.378 19.000 -0.215 0.000 0.795 36 A HN 0.781 nan 8.150 nan 0.000 0.458 37 G N -0.685 107.695 108.800 -0.701 0.000 2.494 37 G HA2 -0.031 3.928 3.960 -0.000 0.000 0.216 37 G HA3 -0.031 3.928 3.960 -0.000 0.000 0.216 37 G C 1.554 175.901 174.900 -0.921 0.000 1.140 37 G CA 1.449 45.809 45.100 -1.234 0.000 0.801 37 G HN 0.629 nan 8.290 nan 0.000 0.536 38 T N -0.797 113.227 114.554 -0.883 0.000 3.085 38 T HA 0.097 4.447 4.350 -0.000 0.000 0.263 38 T C 1.981 176.399 174.700 -0.469 0.000 1.127 38 T CA 0.674 62.167 62.100 -1.012 0.000 1.103 38 T CB -0.086 67.879 68.868 -1.505 0.000 0.921 38 T HN 0.228 nan 8.240 nan 0.000 0.510 39 K N 1.098 121.291 120.400 -0.344 0.000 2.281 39 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 39 K C 2.462 179.017 176.600 -0.075 0.000 1.046 39 K CA 0.861 57.048 56.287 -0.165 0.000 0.938 39 K CB -0.142 32.249 32.500 -0.182 0.000 0.737 39 K HN 0.436 nan 8.250 nan 0.000 0.458 40 R N 0.595 121.051 120.500 -0.074 0.000 2.115 40 R HA -0.081 4.258 4.340 -0.000 0.000 0.230 40 R C 1.076 177.470 176.300 0.157 0.000 1.111 40 R CA 1.211 57.342 56.100 0.052 0.000 0.976 40 R CB 0.076 30.448 30.300 0.120 0.000 0.870 40 R HN 0.207 nan 8.270 nan 0.000 0.445 41 D N -1.439 119.109 120.400 0.246 0.000 2.474 41 D HA 0.200 4.840 4.640 -0.000 0.000 0.213 41 D C 0.694 177.180 176.300 0.311 0.000 1.120 41 D CA 0.503 54.706 54.000 0.338 0.000 0.836 41 D CB 1.472 42.608 40.800 0.560 0.000 1.019 41 D HN 0.291 nan 8.370 nan 0.000 0.507 42 G N 0.256 109.247 108.800 0.319 0.000 2.494 42 G HA2 0.407 4.367 3.960 -0.000 0.000 0.308 42 G HA3 0.407 4.367 3.960 -0.000 0.000 0.308 42 G C -1.339 173.620 174.900 0.098 0.000 1.263 42 G CA -0.460 44.731 45.100 0.153 0.000 0.840 42 G HN -0.013 nan 8.290 nan 0.000 0.479 43 T N -0.265 114.282 114.554 -0.011 0.000 2.807 43 T HA 0.607 4.957 4.350 -0.000 0.000 0.279 43 T C -0.740 173.848 174.700 -0.186 0.000 0.993 43 T CA -0.935 61.110 62.100 -0.092 0.000 0.970 43 T CB 1.661 70.473 68.868 -0.095 0.000 0.950 43 T HN 0.341 nan 8.240 nan 0.000 0.441 44 N N 2.605 121.144 118.700 -0.268 0.000 2.514 44 N HA 0.339 5.078 4.740 -0.000 0.000 0.277 44 N C -0.358 174.782 175.510 -0.617 0.000 1.126 44 N CA -0.307 52.577 53.050 -0.278 0.000 0.978 44 N CB 0.372 38.761 38.487 -0.165 0.000 1.106 44 N HN 0.656 nan 8.380 nan 0.000 0.461 45 H N 0.133 119.087 119.070 -0.194 0.000 2.821 45 H HA 0.399 4.955 4.556 -0.000 0.000 0.373 45 H C -2.474 172.874 175.328 0.033 0.000 1.165 45 H CA -1.583 54.400 56.048 -0.109 0.000 1.154 45 H CB 2.168 31.833 29.762 -0.163 0.000 1.765 45 H HN 0.359 nan 8.280 nan 0.000 0.549 46 P HA 0.000 nan 4.420 nan 0.000 0.275 46 P C -0.720 176.793 177.300 0.356 0.000 1.227 46 P CA -0.053 63.185 63.100 0.230 0.000 0.781 46 P CB 0.721 32.507 31.700 0.143 0.000 0.906 47 Y N 2.199 122.633 120.300 0.223 0.000 2.313 47 Y HA 0.232 4.782 4.550 -0.000 0.000 0.332 47 Y C 0.444 176.403 175.900 0.099 0.000 1.071 47 Y CA 0.041 58.256 58.100 0.192 0.000 1.169 47 Y CB 1.102 39.663 38.460 0.168 0.000 1.192 47 Y HN 0.413 nan 8.280 nan 0.000 0.487 48 E N 4.470 124.354 120.200 -0.527 0.000 3.843 48 E HA 0.338 4.688 4.350 -0.000 0.000 0.189 48 E C 0.566 176.846 176.600 -0.535 0.000 1.013 48 E CA 0.155 56.325 56.400 -0.384 0.000 1.395 48 E CB 0.382 29.988 29.700 -0.157 0.000 1.136 48 E HN 1.061 nan 8.360 nan 0.000 0.444 49 G N 1.672 109.848 108.800 -1.041 0.000 2.547 49 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.271 49 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.271 49 G C 0.839 175.512 174.900 -0.377 0.000 1.209 49 G CA 0.311 45.055 45.100 -0.593 0.000 0.959 49 G HN 0.398 nan 8.290 nan 0.000 0.563 50 E N 0.268 120.355 120.200 -0.188 0.000 2.219 50 E HA -0.189 4.161 4.350 -0.000 0.000 0.198 50 E C 2.428 178.942 176.600 -0.143 0.000 0.998 50 E CA 1.265 57.587 56.400 -0.130 0.000 0.818 50 E CB -0.114 29.536 29.700 -0.083 0.000 0.741 50 E HN 0.471 nan 8.360 nan 0.000 0.477 51 K N 0.479 120.783 120.400 -0.160 0.000 2.057 51 K HA -0.125 4.194 4.320 -0.000 0.000 0.206 51 K C 2.024 178.534 176.600 -0.150 0.000 1.050 51 K CA 1.461 57.669 56.287 -0.132 0.000 0.935 51 K CB -0.018 32.414 32.500 -0.114 0.000 0.715 51 K HN 0.009 nan 8.250 nan 0.000 0.439 52 T N 1.782 116.208 114.554 -0.214 0.000 2.708 52 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 52 T C 1.834 176.392 174.700 -0.237 0.000 1.037 52 T CA 1.344 63.316 62.100 -0.213 0.000 1.146 52 T CB -0.049 68.639 68.868 -0.299 0.000 0.865 52 T HN 0.157 nan 8.240 nan 0.000 0.435 53 L N 0.554 121.650 121.223 -0.213 0.000 2.209 53 L HA 0.094 4.433 4.340 -0.000 0.000 0.207 53 L C 3.078 179.850 176.870 -0.163 0.000 1.094 53 L CA 1.080 55.805 54.840 -0.192 0.000 0.790 53 L CB -0.493 41.495 42.059 -0.119 0.000 0.932 53 L HN 0.190 nan 8.230 nan 0.000 0.447 54 K N 0.380 120.701 120.400 -0.131 0.000 2.211 54 K HA 0.058 4.378 4.320 -0.000 0.000 0.203 54 K C 2.060 178.595 176.600 -0.108 0.000 1.050 54 K CA 1.327 57.553 56.287 -0.103 0.000 0.945 54 K CB -1.003 31.448 32.500 -0.082 0.000 0.732 54 K HN 0.423 nan 8.250 nan 0.000 0.451 55 A N 0.361 123.104 122.820 -0.130 0.000 2.072 55 A HA 0.304 4.624 4.320 -0.000 0.000 0.216 55 A C 1.104 178.595 177.584 -0.154 0.000 1.156 55 A CA 0.168 52.132 52.037 -0.122 0.000 0.701 55 A CB -0.106 18.827 19.000 -0.112 0.000 0.816 55 A HN 0.507 nan 8.150 nan 0.000 0.458 56 I N 2.235 122.668 120.570 -0.227 0.000 2.416 56 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 56 I C -1.923 174.077 176.117 -0.194 0.000 1.051 56 I CA -1.990 59.119 61.300 -0.318 0.000 1.375 56 I CB 1.048 38.697 38.000 -0.584 0.000 1.407 56 I HN 0.154 nan 8.210 nan 0.000 0.516 57 P HA 0.159 nan 4.420 nan 0.000 0.282 57 P C -0.834 176.447 177.300 -0.031 0.000 1.287 57 P CA -0.567 62.499 63.100 -0.057 0.000 0.792 57 P CB 0.531 32.218 31.700 -0.023 0.000 1.163 58 E N 0.854 121.056 120.200 0.005 0.000 2.384 58 E HA 0.141 4.490 4.350 -0.000 0.000 0.266 58 E C 0.372 177.017 176.600 0.075 0.000 1.012 58 E CA 0.569 56.999 56.400 0.050 0.000 0.901 58 E CB 0.067 29.796 29.700 0.048 0.000 0.967 58 E HN 0.620 nan 8.360 nan 0.000 0.435 59 E N 1.204 121.476 120.200 0.119 0.000 5.853 59 E HA -0.072 4.278 4.350 -0.000 0.000 0.543 59 E C -1.813 174.743 176.600 -0.073 0.000 1.242 59 E CA -0.493 55.938 56.400 0.052 0.000 2.945 59 E CB -0.378 29.364 29.700 0.070 0.000 0.802 59 E HN 0.287 nan 8.360 nan 0.000 0.277 60 D N 2.509 122.727 120.400 -0.303 0.000 2.351 60 D HA 0.348 4.988 4.640 -0.000 0.000 0.251 60 D C -0.368 175.752 176.300 -0.299 0.000 1.137 60 D CA -0.124 53.473 54.000 -0.672 0.000 0.879 60 D CB 0.684 40.919 40.800 -0.942 0.000 1.181 60 D HN 0.400 nan 8.370 nan 0.000 0.448 61 I N 4.281 124.714 120.570 -0.228 0.000 2.382 61 I HA 0.203 4.373 4.170 -0.000 0.000 0.286 61 I C -0.216 175.894 176.117 -0.011 0.000 1.002 61 I CA -0.924 60.327 61.300 -0.081 0.000 1.135 61 I CB 1.263 39.217 38.000 -0.077 0.000 1.288 61 I HN 0.089 nan 8.210 nan 0.000 0.448 62 V N 7.306 127.237 119.914 0.028 0.000 2.318 62 V HA 0.343 4.463 4.120 -0.000 0.000 0.271 62 V C 0.176 176.346 176.094 0.126 0.000 1.030 62 V CA -0.547 61.849 62.300 0.162 0.000 0.844 62 V CB 1.166 33.126 31.823 0.227 0.000 1.015 62 V HN 0.476 nan 8.190 nan 0.000 0.460 63 I N 6.619 127.256 120.570 0.111 0.000 2.395 63 I HA 0.569 4.738 4.170 -0.000 0.000 0.289 63 I C -2.466 173.678 176.117 0.045 0.000 1.023 63 I CA -2.207 59.110 61.300 0.028 0.000 1.350 63 I CB 0.719 38.698 38.000 -0.035 0.000 1.409 63 I HN 0.389 nan 8.210 nan 0.000 0.507 64 P HA 0.637 nan 4.420 nan 0.000 0.275 64 P C -0.280 176.967 177.300 -0.087 0.000 1.502 64 P CA -0.323 62.747 63.100 -0.049 0.000 1.147 64 P CB 1.961 33.632 31.700 -0.048 0.000 1.161 65 G N 1.136 109.862 108.800 -0.123 0.000 2.452 65 G HA2 0.250 4.209 3.960 -0.000 0.000 0.224 65 G HA3 0.250 4.209 3.960 -0.000 0.000 0.224 65 G C -0.112 174.647 174.900 -0.235 0.000 1.208 65 G CA 0.089 45.102 45.100 -0.145 0.000 0.946 65 G HN 0.300 nan 8.290 nan 0.000 0.481 66 S N -0.591 114.966 115.700 -0.238 0.000 2.539 66 S HA 0.207 4.677 4.470 -0.000 0.000 0.221 66 S C 1.395 175.790 174.600 -0.342 0.000 0.987 66 S CA 1.103 59.055 58.200 -0.412 0.000 0.929 66 S CB 0.366 63.500 63.200 -0.110 0.000 0.832 66 S HN 0.535 nan 8.310 nan 0.000 0.492 67 E N 1.793 121.857 120.200 -0.227 0.000 2.164 67 E HA -0.249 4.100 4.350 -0.000 0.000 0.206 67 E C 1.512 177.981 176.600 -0.217 0.000 1.032 67 E CA 2.069 58.369 56.400 -0.166 0.000 0.832 67 E CB -0.263 29.328 29.700 -0.180 0.000 0.742 67 E HN 0.707 nan 8.360 nan 0.000 0.460 68 E N -0.712 119.261 120.200 -0.379 0.000 2.510 68 E HA -0.125 4.224 4.350 -0.000 0.000 0.202 68 E C 0.320 176.666 176.600 -0.424 0.000 1.072 68 E CA 0.297 56.456 56.400 -0.402 0.000 0.883 68 E CB -0.055 29.390 29.700 -0.425 0.000 0.818 68 E HN 0.359 nan 8.360 nan 0.000 0.548 69 F N -0.329 119.590 119.950 -0.051 0.000 2.701 69 F HA 0.140 4.667 4.527 -0.000 0.000 0.295 69 F C 1.065 176.838 175.800 -0.044 0.000 1.165 69 F CA -0.435 57.529 58.000 -0.059 0.000 1.399 69 F CB 0.420 39.388 39.000 -0.054 0.000 0.996 69 F HN 0.054 nan 8.300 nan 0.000 0.513 70 L N -1.218 120.027 121.223 0.036 0.000 2.481 70 L HA 0.045 4.385 4.340 -0.000 0.000 0.253 70 L C 2.027 178.890 176.870 -0.011 0.000 1.071 70 L CA 0.680 55.533 54.840 0.022 0.000 1.189 70 L CB -0.738 41.342 42.059 0.034 0.000 2.356 70 L HN -0.057 nan 8.230 nan 0.000 0.545 71 V N -0.985 118.913 119.914 -0.026 0.000 2.223 71 V HA -0.237 3.883 4.120 -0.000 0.000 0.253 71 V C 1.630 177.706 176.094 -0.029 0.000 1.061 71 V CA 1.922 64.210 62.300 -0.020 0.000 1.035 71 V CB -1.176 30.629 31.823 -0.031 0.000 0.653 71 V HN 0.457 nan 8.190 nan 0.000 0.454 79 S N 0.307 116.011 115.700 0.006 0.000 2.500 79 S HA -0.152 4.318 4.470 -0.000 0.000 0.239 79 S C 1.285 175.931 174.600 0.076 0.000 0.989 79 S CA 1.248 59.455 58.200 0.013 0.000 0.951 79 S CB -0.018 63.172 63.200 -0.018 0.000 0.759 79 S HN 0.538 nan 8.310 nan 0.000 0.523 80 N N 1.418 120.174 118.700 0.093 0.000 2.289 80 N HA -0.000 4.739 4.740 -0.000 0.000 0.184 80 N C -0.051 175.595 175.510 0.228 0.000 1.016 80 N CA 0.510 53.657 53.050 0.161 0.000 0.872 80 N CB -0.400 38.102 38.487 0.025 0.000 0.973 80 N HN 0.350 nan 8.380 nan 0.000 0.433 81 V N 1.753 121.765 119.914 0.162 0.000 2.432 81 V HA 0.134 4.254 4.120 -0.000 0.000 0.275 81 V C -0.231 176.012 176.094 0.247 0.000 1.043 81 V CA -0.682 61.698 62.300 0.134 0.000 0.925 81 V CB 0.942 32.788 31.823 0.038 0.000 0.985 81 V HN 0.039 nan 8.190 nan 0.000 0.466 82 F N 5.271 125.257 119.950 0.060 0.000 2.626 82 F HA 0.679 5.206 4.527 -0.000 0.000 0.353 82 F C 0.688 176.483 175.800 -0.008 0.000 1.230 82 F CA -0.556 57.481 58.000 0.062 0.000 1.298 82 F CB -0.208 38.791 39.000 -0.002 0.000 1.670 82 F HN 0.547 nan 8.300 nan 0.000 0.633 83 G N 4.264 112.943 108.800 -0.201 0.000 2.519 83 G HA2 0.374 4.334 3.960 -0.000 0.000 0.292 83 G HA3 0.374 4.334 3.960 -0.000 0.000 0.292 83 G C -3.443 171.268 174.900 -0.316 0.000 1.507 83 G CA -1.091 43.827 45.100 -0.303 0.000 0.806 83 G HN 0.035 nan 8.290 nan 0.000 0.523 84 P HA 0.395 nan 4.420 nan 0.000 0.274 84 P C 0.863 177.995 177.300 -0.280 0.000 1.237 84 P CA -0.241 62.566 63.100 -0.488 0.000 0.793 84 P CB 1.341 32.567 31.700 -0.790 0.000 0.977 85 V N 0.017 119.798 119.914 -0.222 0.000 3.139 85 V HA 0.014 4.133 4.120 -0.000 0.000 0.307 85 V C 1.726 177.716 176.094 -0.174 0.000 1.095 85 V CA -0.037 62.168 62.300 -0.158 0.000 1.160 85 V CB -0.559 31.198 31.823 -0.109 0.000 1.003 85 V HN 0.414 nan 8.190 nan 0.000 0.489 86 K N 1.528 121.858 120.400 -0.116 0.000 2.089 86 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 86 K C 1.965 178.460 176.600 -0.175 0.000 1.048 86 K CA 2.248 58.495 56.287 -0.066 0.000 0.926 86 K CB -0.801 31.676 32.500 -0.038 0.000 0.714 86 K HN 0.999 nan 8.250 nan 0.000 0.448 87 E N -0.088 119.915 120.200 -0.328 0.000 2.150 87 E HA -0.060 4.289 4.350 -0.000 0.000 0.193 87 E C 1.986 178.269 176.600 -0.528 0.000 0.985 87 E CA 0.986 57.076 56.400 -0.517 0.000 0.814 87 E CB -0.264 28.928 29.700 -0.847 0.000 0.752 87 E HN 0.177 nan 8.360 nan 0.000 0.466 88 V N 0.434 120.084 119.914 -0.440 0.000 2.535 88 V HA -0.080 4.039 4.120 -0.000 0.000 0.246 88 V C 2.034 178.007 176.094 -0.201 0.000 1.045 88 V CA 1.465 63.576 62.300 -0.316 0.000 1.058 88 V CB -0.450 31.200 31.823 -0.288 0.000 0.689 88 V HN 0.326 nan 8.190 nan 0.000 0.461 89 A N -0.068 122.671 122.820 -0.134 0.000 2.172 89 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 89 A C 2.194 179.862 177.584 0.140 0.000 1.154 89 A CA 0.930 53.007 52.037 0.066 0.000 0.701 89 A CB -0.532 18.560 19.000 0.153 0.000 0.789 89 A HN 0.518 nan 8.150 nan 0.000 0.465 90 R N -0.372 120.062 120.500 -0.110 0.000 2.211 90 R HA -0.122 4.218 4.340 -0.000 0.000 0.240 90 R C 1.587 177.877 176.300 -0.016 0.000 1.144 90 R CA 1.211 57.175 56.100 -0.226 0.000 0.992 90 R CB -0.587 29.368 30.300 -0.574 0.000 0.869 90 R HN 0.538 nan 8.270 nan 0.000 0.462 91 L N 0.226 121.466 121.223 0.028 0.000 2.079 91 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 91 L C 2.534 179.518 176.870 0.190 0.000 1.081 91 L CA 1.570 56.460 54.840 0.084 0.000 0.752 91 L CB -0.354 41.584 42.059 -0.202 0.000 0.896 91 L HN 0.308 nan 8.230 nan 0.000 0.433 92 E N -0.170 120.142 120.200 0.186 0.000 2.102 92 E HA -0.085 4.264 4.350 -0.000 0.000 0.190 92 E C 2.172 178.865 176.600 0.155 0.000 0.971 92 E CA 0.760 57.294 56.400 0.223 0.000 0.821 92 E CB -0.023 29.843 29.700 0.278 0.000 0.777 92 E HN 0.346 nan 8.360 nan 0.000 0.460 93 G N 0.019 108.835 108.800 0.027 0.000 2.448 93 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 93 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 93 G C 0.716 175.463 174.900 -0.256 0.000 1.135 93 G CA 0.633 45.490 45.100 -0.405 0.000 0.784 93 G HN 0.219 nan 8.290 nan 0.000 0.543 94 S N -0.453 115.176 115.700 -0.119 0.000 2.653 94 S HA 0.391 4.861 4.470 -0.000 0.000 0.272 94 S C 1.005 175.633 174.600 0.046 0.000 1.221 94 S CA -0.664 57.513 58.200 -0.040 0.000 1.149 94 S CB 0.895 64.081 63.200 -0.023 0.000 1.029 94 S HN 0.257 nan 8.310 nan 0.000 0.481 95 K N 2.484 122.895 120.400 0.018 0.000 2.209 95 K HA -0.053 4.266 4.320 -0.000 0.000 0.204 95 K C 1.669 178.257 176.600 -0.020 0.000 1.048 95 K CA 1.203 57.496 56.287 0.009 0.000 0.940 95 K CB -0.071 32.424 32.500 -0.008 0.000 0.729 95 K HN 0.505 nan 8.250 nan 0.000 0.451 96 V N 0.464 120.380 119.914 0.004 0.000 2.307 96 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 96 V C 1.976 178.087 176.094 0.029 0.000 1.045 96 V CA 1.552 63.851 62.300 -0.002 0.000 1.024 96 V CB -0.551 31.299 31.823 0.045 0.000 0.651 96 V HN 0.264 nan 8.190 nan 0.000 0.449 97 Y N 1.631 121.920 120.300 -0.018 0.000 2.151 97 Y HA -0.299 4.251 4.550 -0.000 0.000 0.284 97 Y C 2.379 178.315 175.900 0.061 0.000 1.166 97 Y CA 1.657 59.768 58.100 0.018 0.000 1.163 97 Y CB -0.586 37.865 38.460 -0.016 0.000 0.974 97 Y HN 0.161 nan 8.280 nan 0.000 0.511 98 A N 0.221 123.068 122.820 0.045 0.000 1.933 98 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 98 A C 2.219 179.803 177.584 -0.000 0.000 1.175 98 A CA 1.678 53.752 52.037 0.062 0.000 0.628 98 A CB -0.438 18.661 19.000 0.166 0.000 0.814 98 A HN 0.326 nan 8.150 nan 0.000 0.444 99 K N -0.252 120.032 120.400 -0.193 0.000 2.097 99 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 99 K C 2.095 178.510 176.600 -0.309 0.000 1.050 99 K CA 1.264 57.269 56.287 -0.470 0.000 0.938 99 K CB -0.304 31.539 32.500 -1.095 0.000 0.718 99 K HN 0.473 nan 8.250 nan 0.000 0.442 100 R N -0.472 119.931 120.500 -0.162 0.000 2.090 100 R HA -0.005 4.334 4.340 -0.000 0.000 0.228 100 R C 1.312 177.585 176.300 -0.045 0.000 1.110 100 R CA 0.252 56.344 56.100 -0.014 0.000 0.973 100 R CB -0.220 30.083 30.300 0.006 0.000 0.869 100 R HN 0.065 nan 8.270 nan 0.000 0.440 104 K N 0.262 120.537 120.400 -0.208 0.000 2.001 104 K HA -0.109 4.210 4.320 -0.000 0.000 0.214 104 K C 0.956 177.187 176.600 -0.616 0.000 1.050 104 K CA 2.106 58.115 56.287 -0.463 0.000 0.934 104 K CB -0.149 31.948 32.500 -0.672 0.000 0.718 104 K HN 0.156 nan 8.250 nan 0.000 0.443 105 Y N 0.027 120.148 120.300 -0.299 0.000 2.537 105 Y HA 0.221 4.771 4.550 -0.000 0.000 0.303 105 Y C 0.873 176.715 175.900 -0.095 0.000 1.176 105 Y CA 0.231 58.193 58.100 -0.229 0.000 1.273 105 Y CB 0.450 38.647 38.460 -0.439 0.000 1.110 105 Y HN 0.333 nan 8.280 nan 0.000 0.518 106 G N 1.345 110.140 108.800 -0.009 0.000 2.323 106 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.292 106 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.292 106 G C -0.107 174.806 174.900 0.022 0.000 1.040 106 G CA 0.011 45.118 45.100 0.012 0.000 0.942 106 G HN 0.423 nan 8.290 nan 0.000 0.506 107 I N -0.038 120.547 120.570 0.025 0.000 2.315 107 I HA 0.269 4.438 4.170 -0.000 0.000 0.291 107 I C 1.168 177.265 176.117 -0.033 0.000 1.006 107 I CA -0.842 60.471 61.300 0.021 0.000 1.265 107 I CB 1.183 39.242 38.000 0.098 0.000 1.387 107 I HN 0.156 nan 8.210 nan 0.000 0.475 108 R N 4.737 125.168 120.500 -0.114 0.000 2.404 108 R HA 0.220 4.559 4.340 -0.000 0.000 0.315 108 R C -0.391 175.778 176.300 -0.219 0.000 1.032 108 R CA 0.577 56.530 56.100 -0.246 0.000 0.992 108 R CB 0.470 30.499 30.300 -0.451 0.000 0.959 108 R HN 0.741 nan 8.270 nan 0.000 0.428 109 T N 1.903 116.426 114.554 -0.052 0.000 2.792 109 T HA 0.512 4.861 4.350 -0.000 0.000 0.303 109 T C -1.188 173.698 174.700 0.311 0.000 1.310 109 T CA -0.244 61.938 62.100 0.135 0.000 1.007 109 T CB 1.266 70.157 68.868 0.039 0.000 1.335 109 T HN 0.701 nan 8.240 nan 0.000 0.504 110 A N 2.371 125.373 122.820 0.302 0.000 2.483 110 A HA 0.505 4.824 4.320 -0.000 0.000 0.238 110 A C 0.538 178.317 177.584 0.325 0.000 1.070 110 A CA 0.022 52.209 52.037 0.251 0.000 0.770 110 A CB -0.069 18.999 19.000 0.112 0.000 1.008 110 A HN 0.855 nan 8.150 nan 0.000 0.497 111 R N -0.088 120.583 120.500 0.286 0.000 2.640 111 R HA 0.348 4.688 4.340 -0.000 0.000 0.270 111 R C -0.597 175.954 176.300 0.418 0.000 1.024 111 R CA 0.859 57.118 56.100 0.265 0.000 1.085 111 R CB 0.082 30.458 30.300 0.127 0.000 0.963 111 R HN 0.701 nan 8.270 nan 0.000 0.426 112 F N -1.265 118.832 119.950 0.246 0.000 2.686 112 F HA 0.569 5.096 4.527 -0.000 0.000 0.311 112 F C -1.069 174.900 175.800 0.282 0.000 1.128 112 F CA -1.184 56.987 58.000 0.284 0.000 0.946 112 F CB 1.521 40.601 39.000 0.134 0.000 1.336 112 F HN 0.216 nan 8.300 nan 0.000 0.457 113 E N 0.857 121.285 120.200 0.381 0.000 2.392 113 E HA 0.599 4.949 4.350 -0.000 0.000 0.269 113 E C -1.563 175.227 176.600 0.316 0.000 0.924 113 E CA -1.006 55.530 56.400 0.227 0.000 0.784 113 E CB 3.018 32.846 29.700 0.214 0.000 1.292 113 E HN 0.535 nan 8.360 nan 0.000 0.447 114 V N 0.996 121.051 119.914 0.236 0.000 2.357 114 V HA 0.519 4.638 4.120 -0.000 0.000 0.284 114 V C -0.293 175.867 176.094 0.109 0.000 1.018 114 V CA -0.715 61.694 62.300 0.182 0.000 0.841 114 V CB 1.164 33.097 31.823 0.185 0.000 0.991 114 V HN 0.696 nan 8.190 nan 0.000 0.437 115 A N 3.330 126.198 122.820 0.080 0.000 2.256 115 A HA 0.616 4.935 4.320 -0.000 0.000 0.317 115 A C 0.547 178.153 177.584 0.037 0.000 1.318 115 A CA -0.415 51.652 52.037 0.051 0.000 0.894 115 A CB 0.558 19.579 19.000 0.034 0.000 1.165 115 A HN 0.902 nan 8.150 nan 0.000 0.525 116 E N 0.849 121.069 120.200 0.034 0.000 2.318 116 E HA 0.038 4.387 4.350 -0.000 0.000 0.193 116 E C 0.764 177.374 176.600 0.016 0.000 0.998 116 E CA 1.201 57.616 56.400 0.026 0.000 0.859 116 E CB 0.466 30.182 29.700 0.028 0.000 0.812 116 E HN 0.825 nan 8.360 nan 0.000 0.492 117 T N -4.054 110.509 114.554 0.014 0.000 2.901 117 T HA 0.301 4.651 4.350 -0.000 0.000 0.293 117 T C -2.440 172.262 174.700 0.004 0.000 1.084 117 T CA -2.178 59.927 62.100 0.008 0.000 1.008 117 T CB 1.825 70.698 68.868 0.008 0.000 1.170 117 T HN -0.353 nan 8.240 nan 0.000 0.509 118 P HA -0.056 nan 4.420 nan 0.000 0.218 118 P C 1.373 178.669 177.300 -0.006 0.000 1.148 118 P CA 0.930 64.026 63.100 -0.006 0.000 0.822 118 P CB 0.177 31.872 31.700 -0.007 0.000 0.784 119 E N 0.230 120.429 120.200 -0.002 0.000 2.058 119 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 119 E C 1.823 178.424 176.600 0.003 0.000 0.997 119 E CA 1.280 57.680 56.400 -0.001 0.000 0.801 119 E CB -0.215 29.486 29.700 0.002 0.000 0.746 119 E HN 0.296 nan 8.360 nan 0.000 0.450 120 E N 0.196 120.401 120.200 0.008 0.000 2.110 120 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 120 E C 2.148 178.758 176.600 0.017 0.000 0.988 120 E CA 0.775 57.184 56.400 0.016 0.000 0.804 120 E CB -0.116 29.598 29.700 0.024 0.000 0.745 120 E HN 0.190 nan 8.360 nan 0.000 0.458 121 L N 1.523 122.750 121.223 0.006 0.000 2.042 121 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 121 L C 2.079 178.936 176.870 -0.021 0.000 1.076 121 L CA 1.776 56.610 54.840 -0.009 0.000 0.749 121 L CB -0.271 41.773 42.059 -0.025 0.000 0.893 121 L HN -0.059 nan 8.230 nan 0.000 0.432 122 R N -0.671 119.818 120.500 -0.019 0.000 2.073 122 R HA -0.181 4.158 4.340 -0.000 0.000 0.234 122 R C 2.270 178.564 176.300 -0.009 0.000 1.134 122 R CA 1.649 57.735 56.100 -0.023 0.000 0.952 122 R CB -0.386 29.904 30.300 -0.017 0.000 0.850 122 R HN 0.591 nan 8.270 nan 0.000 0.433 123 E N 1.310 121.512 120.200 0.003 0.000 2.015 123 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 123 E C 1.522 178.139 176.600 0.027 0.000 0.991 123 E CA 1.287 57.693 56.400 0.011 0.000 0.802 123 E CB 0.129 29.835 29.700 0.010 0.000 0.759 123 E HN 0.190 nan 8.360 nan 0.000 0.447 124 K N 0.092 120.520 120.400 0.047 0.000 2.283 124 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 124 K C 2.084 178.797 176.600 0.188 0.000 1.048 124 K CA 0.559 56.906 56.287 0.100 0.000 0.948 124 K CB -0.081 32.489 32.500 0.117 0.000 0.742 124 K HN 0.182 nan 8.250 nan 0.000 0.458 125 I N 2.033 122.668 120.570 0.109 0.000 2.493 125 I HA -0.226 3.944 4.170 -0.000 0.000 0.254 125 I C 1.485 177.706 176.117 0.174 0.000 1.160 125 I CA 1.488 62.849 61.300 0.103 0.000 1.445 125 I CB 0.050 37.960 38.000 -0.149 0.000 1.086 125 I HN -0.007 nan 8.210 nan 0.000 0.433 126 K N 0.171 120.625 120.400 0.091 0.000 2.360 126 K HA -0.141 4.179 4.320 -0.000 0.000 0.201 126 K C 1.632 178.260 176.600 0.047 0.000 1.046 126 K CA 0.864 57.194 56.287 0.071 0.000 0.945 126 K CB -0.118 32.399 32.500 0.029 0.000 0.750 126 K HN 0.328 nan 8.250 nan 0.000 0.464 127 K N 0.024 120.414 120.400 -0.016 0.000 2.555 127 K HA 0.026 4.346 4.320 -0.000 0.000 0.193 127 K C -0.166 176.124 176.600 -0.517 0.000 1.032 127 K CA 0.473 56.595 56.287 -0.275 0.000 1.004 127 K CB 0.123 32.369 32.500 -0.423 0.000 0.804 127 K HN -0.023 nan 8.250 nan 0.000 0.496 128 F N -0.819 119.212 119.950 0.135 0.000 2.611 128 F HA 0.296 4.822 4.527 -0.000 0.000 0.324 128 F C 0.249 176.205 175.800 0.260 0.000 1.061 128 F CA -1.097 57.028 58.000 0.208 0.000 0.954 128 F CB 1.816 41.004 39.000 0.315 0.000 1.301 128 F HN -0.361 nan 8.300 nan 0.000 0.482 129 S N 1.196 117.078 115.700 0.303 0.000 2.578 129 S HA 0.353 4.822 4.470 -0.000 0.000 0.301 129 S C -2.011 172.344 174.600 -0.408 0.000 1.091 129 S CA -1.241 56.973 58.200 0.023 0.000 1.032 129 S CB 1.969 65.180 63.200 0.018 0.000 1.064 129 S HN 0.315 nan 8.310 nan 0.000 0.508 130 P HA -0.169 nan 4.420 nan 0.000 0.227 130 P C -2.141 174.565 177.300 -0.989 0.000 1.141 130 P CA 1.615 64.262 63.100 -0.755 0.000 0.964 130 P CB -1.390 30.122 31.700 -0.313 0.000 0.784 131 P HA -0.015 nan 4.420 nan 0.000 0.266 131 P C -0.830 176.190 177.300 -0.466 0.000 1.419 131 P CA 0.473 63.190 63.100 -0.638 0.000 1.112 131 P CB -0.743 30.390 31.700 -0.945 0.000 1.438 132 Y N 1.558 121.784 120.300 -0.122 0.000 2.310 132 Y HA 0.330 4.880 4.550 -0.000 0.000 0.326 132 Y C 0.928 176.784 175.900 -0.072 0.000 1.151 132 Y CA -0.794 57.255 58.100 -0.085 0.000 1.195 132 Y CB 1.204 39.617 38.460 -0.079 0.000 1.210 132 Y HN 0.065 nan 8.280 nan 0.000 0.483 133 V N 5.415 125.374 119.914 0.076 0.000 2.407 133 V HA 0.408 4.528 4.120 -0.000 0.000 0.291 133 V C -0.332 175.739 176.094 -0.038 0.000 1.018 133 V CA -0.808 61.516 62.300 0.039 0.000 0.842 133 V CB 1.119 32.984 31.823 0.071 0.000 0.996 133 V HN 0.569 nan 8.190 nan 0.000 0.426 134 I N 4.683 125.242 120.570 -0.019 0.000 2.474 134 I HA 0.584 4.754 4.170 -0.000 0.000 0.294 134 I C -0.372 175.736 176.117 -0.015 0.000 1.005 134 I CA -0.783 60.494 61.300 -0.037 0.000 1.113 134 I CB 2.169 40.145 38.000 -0.041 0.000 1.289 134 I HN 0.517 nan 8.210 nan 0.000 0.436 135 K N 4.716 125.107 120.400 -0.015 0.000 2.507 135 K HA 0.618 4.938 4.320 -0.000 0.000 0.252 135 K C -0.611 175.986 176.600 -0.005 0.000 0.943 135 K CA -0.670 55.613 56.287 -0.007 0.000 0.808 135 K CB 2.646 35.140 32.500 -0.009 0.000 1.142 135 K HN 0.724 nan 8.250 nan 0.000 0.426 136 A N 2.025 124.844 122.820 -0.002 0.000 2.546 136 A HA -0.055 4.264 4.320 -0.000 0.000 0.243 136 A C 0.958 178.539 177.584 -0.004 0.000 1.063 136 A CA 0.131 52.166 52.037 -0.002 0.000 0.757 136 A CB 0.055 19.055 19.000 -0.001 0.000 0.991 136 A HN 0.923 nan 8.150 nan 0.000 0.503 137 D N 2.380 122.777 120.400 -0.005 0.000 2.092 137 D HA -0.032 4.608 4.640 -0.000 0.000 0.193 137 D C 1.201 177.486 176.300 -0.026 0.000 0.994 137 D CA 2.040 56.033 54.000 -0.010 0.000 0.828 137 D CB -0.202 40.593 40.800 -0.008 0.000 0.963 137 D HN 0.708 nan 8.370 nan 0.000 0.450 138 G N -0.939 107.842 108.800 -0.032 0.000 2.588 138 G HA2 0.461 4.421 3.960 -0.000 0.000 0.281 138 G HA3 0.461 4.421 3.960 -0.000 0.000 0.281 138 G C -0.476 174.412 174.900 -0.020 0.000 1.236 138 G CA -0.729 44.340 45.100 -0.051 0.000 0.969 138 G HN 0.274 nan 8.290 nan 0.000 0.504 139 L N 0.000 121.216 121.223 -0.012 0.000 2.490 139 L HA 0.353 4.692 4.340 -0.000 0.000 0.274 139 L C 1.104 177.993 176.870 0.032 0.000 1.201 139 L CA 0.136 55.001 54.840 0.042 0.000 0.869 139 L CB 1.001 43.121 42.059 0.103 0.000 1.123 139 L HN 0.558 nan 8.230 nan 0.000 0.484 140 A N 2.523 125.363 122.820 0.034 0.000 2.605 140 A HA 0.528 4.848 4.320 -0.000 0.000 0.292 140 A C 1.089 178.691 177.584 0.029 0.000 1.055 140 A CA 0.150 52.202 52.037 0.025 0.000 0.969 140 A CB 0.151 19.161 19.000 0.017 0.000 1.236 140 A HN 0.862 nan 8.150 nan 0.000 0.534 141 R N 0.037 120.561 120.500 0.039 0.000 3.188 141 R HA 0.023 4.363 4.340 -0.000 0.000 0.247 141 R C 1.709 178.028 176.300 0.031 0.000 0.918 141 R CA 1.409 57.532 56.100 0.038 0.000 0.629 141 R CB -2.839 27.484 30.300 0.038 0.000 1.087 141 R HN 2.417 nan 8.270 nan 0.000 0.462 142 G N -0.631 108.186 108.800 0.029 0.000 2.422 142 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.301 142 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.301 142 G C 0.637 175.549 174.900 0.019 0.000 0.981 142 G CA 1.082 46.196 45.100 0.022 0.000 0.994 142 G HN 1.084 nan 8.290 nan 0.000 0.514 143 K N -0.827 119.583 120.400 0.016 0.000 2.536 143 K HA 0.361 4.681 4.320 -0.000 0.000 0.203 143 K C 1.588 178.193 176.600 0.009 0.000 1.063 143 K CA 0.336 56.628 56.287 0.010 0.000 1.063 143 K CB 1.085 33.589 32.500 0.006 0.000 0.843 143 K HN 0.258 nan 8.250 nan 0.000 0.521 144 G N 0.517 109.324 108.800 0.012 0.000 3.735 144 G HA2 0.164 4.124 3.960 -0.000 0.000 0.283 144 G HA3 0.164 4.124 3.960 -0.000 0.000 0.283 144 G C -0.369 174.536 174.900 0.008 0.000 1.007 144 G CA -0.049 45.056 45.100 0.009 0.000 0.821 144 G HN -0.001 nan 8.290 nan 0.000 0.505 145 V N 2.462 122.384 119.914 0.012 0.000 2.333 145 V HA 0.410 4.529 4.120 -0.000 0.000 0.274 145 V C -0.041 176.064 176.094 0.017 0.000 1.028 145 V CA -0.513 61.795 62.300 0.014 0.000 0.851 145 V CB 1.128 32.962 31.823 0.018 0.000 1.000 145 V HN 0.175 nan 8.190 nan 0.000 0.456 146 L N 6.179 127.411 121.223 0.015 0.000 2.307 146 L HA 0.620 4.959 4.340 -0.000 0.000 0.282 146 L C -0.509 176.379 176.870 0.031 0.000 1.051 146 L CA -0.467 54.383 54.840 0.018 0.000 0.804 146 L CB 1.658 43.723 42.059 0.010 0.000 1.197 146 L HN 0.456 nan 8.230 nan 0.000 0.431 147 I N 4.275 124.864 120.570 0.032 0.000 2.437 147 I HA 0.362 4.531 4.170 -0.000 0.000 0.279 147 I C -0.738 175.378 176.117 -0.000 0.000 1.028 147 I CA 0.120 61.440 61.300 0.033 0.000 1.142 147 I CB 1.232 39.268 38.000 0.061 0.000 1.266 147 I HN 0.390 nan 8.210 nan 0.000 0.461 148 L N 5.578 126.810 121.223 0.015 0.000 2.365 148 L HA 0.478 4.817 4.340 -0.000 0.000 0.273 148 L C 0.535 177.401 176.870 -0.006 0.000 1.000 148 L CA -0.645 54.209 54.840 0.022 0.000 0.819 148 L CB 1.840 43.940 42.059 0.068 0.000 1.284 148 L HN 0.406 nan 8.230 nan 0.000 0.418 149 D N 0.153 120.525 120.400 -0.046 0.000 2.117 149 D HA -0.073 4.566 4.640 -0.000 0.000 0.198 149 D C 1.029 177.313 176.300 -0.026 0.000 0.982 149 D CA 1.070 55.009 54.000 -0.101 0.000 0.828 149 D CB 0.200 40.947 40.800 -0.087 0.000 0.967 149 D HN 0.517 nan 8.370 nan 0.000 0.464 150 S N -0.342 115.404 115.700 0.076 0.000 2.578 150 S HA 0.262 4.731 4.470 -0.000 0.000 0.283 150 S C 0.859 175.614 174.600 0.258 0.000 1.195 150 S CA -0.835 57.451 58.200 0.142 0.000 1.050 150 S CB 2.911 66.151 63.200 0.068 0.000 1.012 150 S HN -0.040 nan 8.310 nan 0.000 0.511 151 K N 1.514 122.088 120.400 0.290 0.000 2.057 151 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 151 K C 1.510 178.089 176.600 -0.035 0.000 1.050 151 K CA 1.896 58.211 56.287 0.047 0.000 0.935 151 K CB -0.312 32.217 32.500 0.048 0.000 0.715 151 K HN 0.792 nan 8.250 nan 0.000 0.439 152 E N 0.754 120.961 120.200 0.013 0.000 2.058 152 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 152 E C 1.855 178.449 176.600 -0.009 0.000 0.997 152 E CA 1.747 58.145 56.400 -0.004 0.000 0.801 152 E CB -0.114 29.592 29.700 0.009 0.000 0.746 152 E HN 0.462 nan 8.360 nan 0.000 0.450 153 E N 0.008 120.213 120.200 0.008 0.000 2.152 153 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 153 E C 1.471 178.068 176.600 -0.004 0.000 0.983 153 E CA 1.392 57.795 56.400 0.006 0.000 0.818 153 E CB 0.083 29.793 29.700 0.017 0.000 0.758 153 E HN 0.203 nan 8.360 nan 0.000 0.467 154 T N 0.832 115.379 114.554 -0.012 0.000 2.737 154 T HA -0.087 4.262 4.350 -0.000 0.000 0.265 154 T C 1.839 176.490 174.700 -0.083 0.000 1.038 154 T CA 1.214 63.283 62.100 -0.053 0.000 1.144 154 T CB -0.123 68.670 68.868 -0.126 0.000 0.866 154 T HN 0.161 nan 8.240 nan 0.000 0.434 155 I N 0.761 121.276 120.570 -0.092 0.000 2.252 155 I HA -0.099 4.071 4.170 -0.000 0.000 0.245 155 I C 2.861 178.952 176.117 -0.043 0.000 1.102 155 I CA 1.072 62.327 61.300 -0.075 0.000 1.385 155 I CB -0.262 37.695 38.000 -0.071 0.000 1.064 155 I HN 0.213 nan 8.210 nan 0.000 0.414 156 E N 1.681 121.862 120.200 -0.031 0.000 2.038 156 E HA -0.256 4.093 4.350 -0.000 0.000 0.195 156 E C 2.102 178.692 176.600 -0.017 0.000 1.000 156 E CA 1.651 58.040 56.400 -0.019 0.000 0.803 156 E CB 0.055 29.748 29.700 -0.012 0.000 0.750 156 E HN 0.435 nan 8.360 nan 0.000 0.448 157 K N -0.698 119.692 120.400 -0.016 0.000 2.103 157 K HA -0.027 4.292 4.320 -0.000 0.000 0.204 157 K C 2.185 178.776 176.600 -0.016 0.000 1.052 157 K CA 0.855 57.135 56.287 -0.012 0.000 0.945 157 K CB -0.245 32.251 32.500 -0.008 0.000 0.722 157 K HN 0.173 nan 8.250 nan 0.000 0.443 158 G N 0.647 109.432 108.800 -0.025 0.000 2.422 158 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 158 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 158 G C 1.513 176.399 174.900 -0.023 0.000 1.146 158 G CA 0.738 45.821 45.100 -0.029 0.000 0.769 158 G HN 0.158 nan 8.290 nan 0.000 0.547 159 S N 0.421 116.107 115.700 -0.023 0.000 2.368 159 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 159 S C 2.240 176.834 174.600 -0.011 0.000 1.029 159 S CA 1.310 59.500 58.200 -0.016 0.000 0.988 159 S CB -0.161 63.029 63.200 -0.017 0.000 0.838 159 S HN 0.404 nan 8.310 nan 0.000 0.462 160 K N 0.704 121.098 120.400 -0.010 0.000 2.097 160 K HA -0.038 4.282 4.320 -0.000 0.000 0.206 160 K C 2.022 178.619 176.600 -0.005 0.000 1.049 160 K CA 0.874 57.157 56.287 -0.007 0.000 0.933 160 K CB -0.292 32.205 32.500 -0.006 0.000 0.717 160 K HN 0.152 nan 8.250 nan 0.000 0.442 161 L N 1.377 122.596 121.223 -0.007 0.000 2.093 161 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 161 L C 1.789 178.656 176.870 -0.004 0.000 1.085 161 L CA 1.491 56.328 54.840 -0.005 0.000 0.755 161 L CB -0.189 41.866 42.059 -0.007 0.000 0.904 161 L HN 0.137 nan 8.230 nan 0.000 0.435 162 I N -0.689 119.878 120.570 -0.005 0.000 2.179 162 I HA -0.302 3.867 4.170 -0.000 0.000 0.242 162 I C 2.066 178.182 176.117 -0.002 0.000 1.088 162 I CA 1.578 62.877 61.300 -0.003 0.000 1.357 162 I CB -0.237 37.762 38.000 -0.002 0.000 1.051 162 I HN 0.165 nan 8.210 nan 0.000 0.409 163 I N 0.481 121.050 120.570 -0.002 0.000 3.564 163 I HA 0.041 4.211 4.170 -0.000 0.000 0.294 163 I C 1.574 177.691 176.117 -0.001 0.000 1.289 163 I CA 0.656 61.955 61.300 -0.002 0.000 1.325 163 I CB -0.413 37.586 38.000 -0.002 0.000 1.039 163 I HN 0.466 nan 8.210 nan 0.000 0.474 164 G N 1.151 109.950 108.800 -0.001 0.000 2.143 164 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.249 164 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.249 164 G C 0.612 175.512 174.900 0.001 0.000 0.981 164 G CA 0.238 45.338 45.100 -0.000 0.000 0.665 164 G HN 0.508 nan 8.290 nan 0.000 0.528 165 E N -1.096 119.104 120.200 -0.000 0.000 2.447 165 E HA 0.238 4.587 4.350 -0.000 0.000 0.195 165 E C 2.317 178.917 176.600 -0.000 0.000 1.028 165 E CA 0.324 56.724 56.400 -0.000 0.000 0.876 165 E CB 0.234 29.933 29.700 -0.001 0.000 0.885 165 E HN 0.460 nan 8.360 nan 0.000 0.500 166 L N 0.552 121.775 121.223 -0.001 0.000 2.056 166 L HA 0.115 4.455 4.340 -0.000 0.000 0.202 166 L C 0.593 177.464 176.870 0.001 0.000 1.086 166 L CA 1.364 56.204 54.840 -0.001 0.000 0.758 166 L CB 0.296 42.353 42.059 -0.002 0.000 0.912 166 L HN -0.100 nan 8.230 nan 0.000 0.446 167 I N 0.805 121.376 120.570 0.002 0.000 2.354 167 I HA 0.192 4.362 4.170 -0.000 0.000 0.286 167 I C -0.094 176.026 176.117 0.006 0.000 1.007 167 I CA -0.580 60.723 61.300 0.004 0.000 1.167 167 I CB 1.180 39.183 38.000 0.005 0.000 1.320 167 I HN 0.069 nan 8.210 nan 0.000 0.458 168 K N 5.276 125.680 120.400 0.007 0.000 2.504 168 K HA 0.085 4.405 4.320 -0.000 0.000 0.278 168 K C 1.115 177.721 176.600 0.010 0.000 1.025 168 K CA 1.261 57.553 56.287 0.008 0.000 1.093 168 K CB 0.152 32.658 32.500 0.010 0.000 0.873 168 K HN 0.956 nan 8.250 nan 0.000 0.483 169 G N 2.006 110.812 108.800 0.009 0.000 2.136 169 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.242 169 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.242 169 G C -0.442 174.462 174.900 0.007 0.000 0.989 169 G CA 0.063 45.169 45.100 0.009 0.000 0.682 169 G HN 0.513 nan 8.290 nan 0.000 0.522 170 V N 0.107 120.024 119.914 0.005 0.000 2.577 170 V HA 0.843 4.963 4.120 -0.000 0.000 0.303 170 V C 0.012 176.105 176.094 -0.001 0.000 1.042 170 V CA -0.167 62.134 62.300 0.001 0.000 0.872 170 V CB 2.007 33.832 31.823 0.004 0.000 0.998 170 V HN 0.627 nan 8.190 nan 0.000 0.423 171 K N 3.374 123.771 120.400 -0.004 0.000 2.583 171 K HA 0.667 4.986 4.320 -0.000 0.000 0.260 171 K C -0.472 176.124 176.600 -0.006 0.000 0.931 171 K CA 0.354 56.639 56.287 -0.004 0.000 0.849 171 K CB 2.060 34.558 32.500 -0.003 0.000 1.347 171 K HN 1.437 nan 8.250 nan 0.000 0.425 172 G N 2.261 111.059 108.800 -0.004 0.000 2.353 172 G HA2 0.014 3.973 3.960 -0.000 0.000 0.615 172 G HA3 0.014 3.973 3.960 -0.000 0.000 0.615 172 G C -3.140 171.762 174.900 0.003 0.000 1.280 172 G CA -0.932 44.167 45.100 -0.002 0.000 1.000 172 G HN 0.456 nan 8.290 nan 0.000 0.516 173 P HA 0.443 nan 4.420 nan 0.000 0.271 173 P C 0.134 177.443 177.300 0.015 0.000 1.233 173 P CA 0.074 63.185 63.100 0.018 0.000 0.789 173 P CB 0.969 32.686 31.700 0.029 0.000 0.951 174 V N -1.535 118.392 119.914 0.021 0.000 2.876 174 V HA 0.554 4.674 4.120 -0.000 0.000 0.312 174 V C -0.569 175.545 176.094 0.033 0.000 1.085 174 V CA -1.015 61.294 62.300 0.015 0.000 0.945 174 V CB 1.964 33.787 31.823 0.000 0.000 1.017 174 V HN 0.168 nan 8.190 nan 0.000 0.428 175 V N 5.049 124.978 119.914 0.025 0.000 2.498 175 V HA 0.453 4.573 4.120 -0.000 0.000 0.279 175 V C 0.204 176.304 176.094 0.010 0.000 1.048 175 V CA -0.205 62.125 62.300 0.051 0.000 0.967 175 V CB 1.182 33.011 31.823 0.009 0.000 0.988 175 V HN 0.767 nan 8.190 nan 0.000 0.473 176 I N 3.779 124.358 120.570 0.015 0.000 2.339 176 I HA 0.404 4.573 4.170 -0.000 0.000 0.290 176 I C -0.557 175.421 176.117 -0.232 0.000 0.994 176 I CA -0.220 60.954 61.300 -0.211 0.000 1.191 176 I CB 1.471 39.289 38.000 -0.304 0.000 1.343 176 I HN 0.558 nan 8.210 nan 0.000 0.458 177 D N 5.087 125.331 120.400 -0.259 0.000 2.256 177 D HA 0.121 4.760 4.640 -0.000 0.000 0.246 177 D C -0.337 175.919 176.300 -0.074 0.000 1.042 177 D CA -0.441 53.529 54.000 -0.051 0.000 0.841 177 D CB 1.598 42.401 40.800 0.003 0.000 1.223 177 D HN 0.454 nan 8.370 nan 0.000 0.470 178 E N 3.812 124.156 120.200 0.240 0.000 2.328 178 E HA 0.013 4.362 4.350 -0.000 0.000 0.265 178 E C -0.693 175.987 176.600 0.132 0.000 1.057 178 E CA -0.357 56.245 56.400 0.337 0.000 0.916 178 E CB 0.316 30.236 29.700 0.366 0.000 0.993 178 E HN 0.360 nan 8.360 nan 0.000 0.446 179 F N 5.494 125.440 119.950 -0.007 0.000 2.578 179 F HA 0.142 4.669 4.527 -0.000 0.000 0.376 179 F C -0.746 174.952 175.800 -0.170 0.000 1.085 179 F CA -0.036 57.914 58.000 -0.084 0.000 1.260 179 F CB 0.390 39.340 39.000 -0.083 0.000 1.095 179 F HN 0.388 nan 8.300 nan 0.000 0.573 180 L N 7.143 127.757 121.223 -1.013 0.000 2.298 180 L HA 0.499 4.838 4.340 -0.000 0.000 0.284 180 L C 0.176 176.400 176.870 -1.076 0.000 1.013 180 L CA -1.073 53.149 54.840 -1.030 0.000 0.824 180 L CB 1.175 42.672 42.059 -0.937 0.000 1.221 180 L HN 0.827 nan 8.230 nan 0.000 0.418 181 A N 2.920 125.402 122.820 -0.564 0.000 2.511 181 A HA 0.648 4.968 4.320 -0.000 0.000 0.242 181 A C 0.643 178.187 177.584 -0.068 0.000 1.069 181 A CA 0.853 52.797 52.037 -0.154 0.000 0.763 181 A CB 0.134 19.194 19.000 0.101 0.000 1.001 181 A HN 0.934 nan 8.150 nan 0.000 0.498 182 G N 1.489 110.254 108.800 -0.057 0.000 2.343 182 G HA2 0.265 4.225 3.960 -0.000 0.000 0.289 182 G HA3 0.265 4.225 3.960 -0.000 0.000 0.289 182 G C -1.547 173.335 174.900 -0.030 0.000 1.295 182 G CA -0.976 44.116 45.100 -0.013 0.000 0.869 182 G HN 0.740 nan 8.290 nan 0.000 0.522 183 N N 1.243 119.933 118.700 -0.018 0.000 2.419 183 N HA 0.344 5.083 4.740 -0.000 0.000 0.277 183 N C -0.300 175.192 175.510 -0.031 0.000 1.006 183 N CA -0.290 52.748 53.050 -0.020 0.000 0.923 183 N CB 2.028 40.507 38.487 -0.013 0.000 1.140 183 N HN 0.576 nan 8.380 nan 0.000 0.488 184 E N 0.951 121.130 120.200 -0.034 0.000 2.373 184 E HA 0.361 4.710 4.350 -0.000 0.000 0.263 184 E C -0.652 175.931 176.600 -0.028 0.000 1.073 184 E CA -0.259 56.121 56.400 -0.033 0.000 0.894 184 E CB 1.065 30.750 29.700 -0.025 0.000 1.008 184 E HN 0.279 nan 8.360 nan 0.000 0.420 185 L N 0.761 121.973 121.223 -0.019 0.000 2.672 185 L HA 0.241 4.581 4.340 -0.000 0.000 0.256 185 L C -1.476 175.390 176.870 -0.006 0.000 0.946 185 L CA -0.299 54.535 54.840 -0.010 0.000 0.889 185 L CB 2.130 44.176 42.059 -0.022 0.000 1.441 185 L HN 0.536 nan 8.230 nan 0.000 0.418 186 S N 2.462 118.167 115.700 0.008 0.000 2.503 186 S HA 1.033 5.503 4.470 -0.000 0.000 0.301 186 S C -0.398 174.171 174.600 -0.052 0.000 1.087 186 S CA -0.040 58.078 58.200 -0.137 0.000 1.042 186 S CB 1.801 64.927 63.200 -0.123 0.000 1.043 186 S HN 1.217 nan 8.310 nan 0.000 0.489 190 V N 0.803 120.771 119.914 0.090 0.000 2.509 190 V HA 0.632 4.752 4.120 -0.000 0.000 0.284 190 V C -0.045 176.075 176.094 0.042 0.000 1.047 190 V CA -0.476 61.863 62.300 0.065 0.000 0.952 190 V CB 1.192 33.044 31.823 0.048 0.000 0.988 190 V HN 0.803 nan 8.190 nan 0.000 0.469 191 V N 3.545 123.478 119.914 0.032 0.000 2.709 191 V HA 0.549 4.668 4.120 -0.000 0.000 0.308 191 V C -0.660 175.524 176.094 0.149 0.000 1.062 191 V CA -0.607 61.744 62.300 0.084 0.000 0.901 191 V CB 2.175 34.002 31.823 0.006 0.000 1.003 191 V HN 0.940 nan 8.190 nan 0.000 0.425 192 N N 2.942 121.734 118.700 0.153 0.000 2.577 192 N HA 0.585 5.325 4.740 -0.000 0.000 0.275 192 N C 0.344 175.935 175.510 0.135 0.000 1.091 192 N CA 0.896 54.036 53.050 0.150 0.000 0.843 192 N CB 1.633 40.191 38.487 0.118 0.000 1.295 192 N HN 1.035 nan 8.380 nan 0.000 0.530 193 G N 3.535 112.427 108.800 0.154 0.000 2.602 193 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.310 193 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.310 193 G C 0.655 175.650 174.900 0.159 0.000 1.183 193 G CA 0.272 45.460 45.100 0.146 0.000 0.979 193 G HN 0.563 nan 8.290 nan 0.000 0.545 194 R N 1.673 122.265 120.500 0.153 0.000 2.312 194 R HA 0.134 4.474 4.340 -0.000 0.000 0.205 194 R C 0.272 176.701 176.300 0.214 0.000 0.904 194 R CA 0.025 56.237 56.100 0.188 0.000 1.052 194 R CB -0.154 30.252 30.300 0.176 0.000 1.014 194 R HN 0.519 nan 8.270 nan 0.000 0.503 195 N N 1.630 120.420 118.700 0.151 0.000 2.499 195 N HA 0.218 4.958 4.740 -0.000 0.000 0.281 195 N C -0.335 175.274 175.510 0.165 0.000 1.098 195 N CA 0.041 53.145 53.050 0.090 0.000 0.979 195 N CB 0.888 39.387 38.487 0.020 0.000 1.121 195 N HN -0.055 nan 8.380 nan 0.000 0.466 196 F N -1.696 118.214 119.950 -0.066 0.000 2.654 196 F HA 0.650 5.177 4.527 -0.000 0.000 0.308 196 F C -0.969 174.737 175.800 -0.157 0.000 1.108 196 F CA -1.394 56.522 58.000 -0.139 0.000 0.957 196 F CB 0.681 39.532 39.000 -0.248 0.000 1.309 196 F HN 0.147 nan 8.300 nan 0.000 0.446 197 V N 0.996 120.856 119.914 -0.089 0.000 2.540 197 V HA 0.624 4.744 4.120 -0.000 0.000 0.302 197 V C -0.293 175.752 176.094 -0.082 0.000 1.035 197 V CA -0.986 61.225 62.300 -0.148 0.000 0.873 197 V CB 1.309 33.073 31.823 -0.099 0.000 0.992 197 V HN 0.878 nan 8.190 nan 0.000 0.428 198 I N 4.921 125.430 120.570 -0.102 0.000 2.441 198 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 198 I C 0.169 176.196 176.117 -0.151 0.000 1.049 198 I CA -0.168 61.031 61.300 -0.168 0.000 1.381 198 I CB 1.165 39.088 38.000 -0.129 0.000 1.409 198 I HN 0.517 nan 8.210 nan 0.000 0.523 199 L N 7.026 128.152 121.223 -0.161 0.000 2.454 199 L HA 0.384 4.724 4.340 -0.000 0.000 0.256 199 L C -2.099 174.628 176.870 -0.238 0.000 1.136 199 L CA -1.830 52.950 54.840 -0.100 0.000 0.804 199 L CB -0.064 42.007 42.059 0.019 0.000 1.181 199 L HN 0.314 nan 8.230 nan 0.000 0.469 200 P HA -0.050 nan 4.420 nan 0.000 0.264 200 P C -0.904 176.301 177.300 -0.158 0.000 1.183 200 P CA 0.321 63.370 63.100 -0.085 0.000 0.763 200 P CB 0.142 31.836 31.700 -0.010 0.000 0.807 201 F N 1.977 121.919 119.950 -0.013 0.000 2.443 201 F HA 0.270 4.797 4.527 -0.000 0.000 0.353 201 F C 1.076 176.810 175.800 -0.109 0.000 1.101 201 F CA 0.148 58.120 58.000 -0.047 0.000 1.226 201 F CB 0.442 39.414 39.000 -0.046 0.000 1.140 201 F HN 0.076 nan 8.300 nan 0.000 0.557 202 V N 1.332 121.263 119.914 0.027 0.000 3.001 202 V HA 0.681 4.801 4.120 -0.000 0.000 0.314 202 V C -0.859 175.106 176.094 -0.215 0.000 1.099 202 V CA -1.303 60.916 62.300 -0.135 0.000 0.989 202 V CB 2.014 33.801 31.823 -0.059 0.000 1.040 202 V HN 0.787 nan 8.190 nan 0.000 0.434 203 R N 2.018 122.254 120.500 -0.440 0.000 2.387 203 R HA 0.512 4.852 4.340 -0.000 0.000 0.314 203 R C -0.955 175.212 176.300 -0.223 0.000 0.958 203 R CA -0.399 55.464 56.100 -0.394 0.000 0.846 203 R CB 1.127 31.062 30.300 -0.609 0.000 1.147 203 R HN 1.064 nan 8.270 nan 0.000 0.447 204 D N 2.783 123.082 120.400 -0.168 0.000 2.326 204 D HA 0.106 4.746 4.640 -0.000 0.000 0.251 204 D C -0.993 175.164 176.300 -0.238 0.000 1.023 204 D CA -0.395 53.585 54.000 -0.033 0.000 0.966 204 D CB 1.090 41.920 40.800 0.050 0.000 1.156 204 D HN 0.468 nan 8.370 nan 0.000 0.494 205 Y N 0.045 120.413 120.300 0.112 0.000 2.646 205 Y HA 0.251 4.801 4.550 -0.000 0.000 0.334 205 Y C 1.244 177.210 175.900 0.111 0.000 1.004 205 Y CA -0.635 57.536 58.100 0.119 0.000 1.301 205 Y CB 1.691 40.238 38.460 0.144 0.000 1.093 205 Y HN 0.235 nan 8.280 nan 0.000 0.530 206 K N 0.848 121.341 120.400 0.156 0.000 2.062 206 K HA 0.049 4.369 4.320 -0.000 0.000 0.205 206 K C 0.811 177.490 176.600 0.130 0.000 1.051 206 K CA 0.657 57.022 56.287 0.130 0.000 0.941 206 K CB 0.208 32.756 32.500 0.080 0.000 0.719 206 K HN 0.309 nan 8.250 nan 0.000 0.440 207 R N 1.356 121.934 120.500 0.129 0.000 2.641 207 R HA 0.100 4.439 4.340 -0.000 0.000 0.269 207 R C 0.436 176.807 176.300 0.118 0.000 1.074 207 R CA -0.382 55.778 56.100 0.100 0.000 1.133 207 R CB 0.260 30.613 30.300 0.090 0.000 1.029 207 R HN 0.013 nan 8.270 nan 0.000 0.488 211 G N 1.563 110.401 108.800 0.064 0.000 2.221 211 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.265 211 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.265 211 G C 0.029 174.971 174.900 0.070 0.000 1.041 211 G CA 0.280 45.417 45.100 0.062 0.000 0.807 211 G HN 0.811 nan 8.290 nan 0.000 0.502 212 D N -1.019 119.440 120.400 0.099 0.000 2.704 212 D HA -0.168 4.472 4.640 -0.000 0.000 0.232 212 D C 1.058 177.395 176.300 0.062 0.000 1.183 212 D CA 1.683 55.740 54.000 0.095 0.000 0.647 212 D CB -0.178 40.678 40.800 0.094 0.000 1.013 212 D HN 0.787 nan 8.370 nan 0.000 0.415 213 R N -0.439 120.091 120.500 0.051 0.000 2.797 213 R HA 0.681 5.021 4.340 -0.000 0.000 0.251 213 R C 1.022 177.340 176.300 0.031 0.000 1.107 213 R CA -0.087 56.033 56.100 0.033 0.000 1.084 213 R CB 1.277 31.590 30.300 0.022 0.000 1.205 213 R HN 0.216 nan 8.270 nan 0.000 0.515 214 G N 0.962 109.773 108.800 0.017 0.000 2.760 214 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.246 214 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.246 214 G C -2.564 172.338 174.900 0.003 0.000 1.359 214 G CA -0.986 44.120 45.100 0.009 0.000 0.861 214 G HN 0.481 nan 8.290 nan 0.000 0.541 215 P HA 0.185 nan 4.420 nan 0.000 0.272 215 P C -0.129 177.154 177.300 -0.028 0.000 1.223 215 P CA -0.409 62.672 63.100 -0.032 0.000 0.784 215 P CB 0.472 32.131 31.700 -0.069 0.000 0.923 216 N N 0.434 119.121 118.700 -0.023 0.000 2.453 216 N HA 0.163 4.902 4.740 -0.000 0.000 0.253 216 N C 0.695 176.174 175.510 -0.051 0.000 1.252 216 N CA 0.512 53.558 53.050 -0.007 0.000 0.917 216 N CB 0.476 38.967 38.487 0.007 0.000 1.117 216 N HN 0.559 nan 8.380 nan 0.000 0.442 217 T N -3.788 110.765 114.554 -0.001 0.000 2.742 217 T HA 0.507 4.857 4.350 -0.000 0.000 0.282 217 T C 1.054 175.826 174.700 0.120 0.000 1.025 217 T CA -0.669 61.433 62.100 0.003 0.000 1.020 217 T CB 1.054 70.009 68.868 0.144 0.000 1.317 217 T HN 0.315 nan 8.240 nan 0.000 0.538 218 G N -1.200 107.741 108.800 0.234 0.000 2.920 218 G HA2 0.510 4.469 3.960 -0.000 0.000 0.208 218 G HA3 0.510 4.469 3.960 -0.000 0.000 0.208 218 G C 0.816 175.820 174.900 0.173 0.000 1.159 218 G CA 0.197 45.407 45.100 0.182 0.000 0.784 218 G HN 1.528 nan 8.290 nan 0.000 0.535 222 S N -0.952 114.961 115.700 0.355 0.000 2.611 222 S HA 0.859 5.329 4.470 -0.000 0.000 0.268 222 S C -1.344 173.520 174.600 0.440 0.000 1.156 222 S CA -0.593 57.847 58.200 0.399 0.000 0.817 222 S CB 1.847 65.169 63.200 0.204 0.000 1.122 222 S HN 2.113 nan 8.310 nan 0.000 0.466 223 W N 0.006 121.464 121.300 0.264 0.000 3.042 223 W HA 0.829 5.489 4.660 -0.000 0.000 0.342 223 W C -0.616 176.034 176.519 0.219 0.000 1.240 223 W CA -0.781 56.696 57.345 0.220 0.000 1.166 223 W CB 0.924 30.522 29.460 0.229 0.000 1.469 223 W HN 1.421 nan 8.180 nan 0.000 0.579 224 G N 0.819 109.925 108.800 0.510 0.000 2.506 224 G HA2 0.626 4.586 3.960 -0.000 0.000 0.292 224 G HA3 0.626 4.586 3.960 -0.000 0.000 0.292 224 G C -3.502 171.675 174.900 0.463 0.000 1.425 224 G CA -1.070 44.196 45.100 0.276 0.000 0.788 224 G HN 0.230 nan 8.290 nan 0.000 0.490 225 P HA 0.542 nan 4.420 nan 0.000 0.290 225 P C -0.342 177.074 177.300 0.192 0.000 1.275 225 P CA -0.600 62.558 63.100 0.097 0.000 0.841 225 P CB 2.054 33.751 31.700 -0.004 0.000 1.042 226 V N 3.041 122.964 119.914 0.015 0.000 2.607 226 V HA 0.160 4.279 4.120 -0.000 0.000 0.289 226 V C 0.729 176.876 176.094 0.089 0.000 1.053 226 V CA -0.405 61.892 62.300 -0.005 0.000 0.996 226 V CB 0.648 32.351 31.823 -0.201 0.000 0.995 226 V HN 0.479 nan 8.190 nan 0.000 0.476 227 E N 4.585 124.853 120.200 0.114 0.000 2.152 227 E HA 0.368 4.718 4.350 -0.000 0.000 0.285 227 E C -0.754 175.815 176.600 -0.051 0.000 1.043 227 E CA -0.397 56.042 56.400 0.064 0.000 0.839 227 E CB 1.328 31.094 29.700 0.110 0.000 1.069 227 E HN 0.289 nan 8.360 nan 0.000 0.399 228 I N 4.266 124.747 120.570 -0.149 0.000 2.441 228 I HA 0.288 4.458 4.170 -0.000 0.000 0.295 228 I C -2.103 173.935 176.117 -0.132 0.000 0.994 228 I CA -2.955 58.185 61.300 -0.266 0.000 1.144 228 I CB 0.881 38.458 38.000 -0.706 0.000 1.314 228 I HN 0.094 nan 8.210 nan 0.000 0.445 229 P HA 0.065 nan 4.420 nan 0.000 0.267 229 P C 0.974 178.256 177.300 -0.030 0.000 1.200 229 P CA 0.009 63.085 63.100 -0.040 0.000 0.772 229 P CB 0.532 32.214 31.700 -0.031 0.000 0.855 230 S N 1.335 117.035 115.700 0.000 0.000 2.399 230 S HA -0.228 4.242 4.470 -0.000 0.000 0.231 230 S C 1.307 175.922 174.600 0.024 0.000 1.022 230 S CA 1.606 59.819 58.200 0.021 0.000 0.983 230 S CB -1.129 62.087 63.200 0.027 0.000 0.803 230 S HN 0.582 nan 8.310 nan 0.000 0.480 231 D N 1.445 121.853 120.400 0.013 0.000 2.117 231 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 231 D C 1.783 178.092 176.300 0.015 0.000 0.987 231 D CA 1.823 55.832 54.000 0.016 0.000 0.829 231 D CB -1.324 39.481 40.800 0.009 0.000 0.961 231 D HN 0.388 nan 8.370 nan 0.000 0.460 232 T N 0.261 114.812 114.554 -0.005 0.000 2.746 232 T HA -0.045 4.305 4.350 -0.000 0.000 0.267 232 T C 2.026 176.733 174.700 0.012 0.000 1.039 232 T CA 0.990 63.080 62.100 -0.016 0.000 1.142 232 T CB -0.362 68.466 68.868 -0.067 0.000 0.866 232 T HN 0.188 nan 8.240 nan 0.000 0.444 233 I N 0.695 121.277 120.570 0.020 0.000 2.226 233 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 233 I C 2.603 178.814 176.117 0.157 0.000 1.100 233 I CA 1.302 62.674 61.300 0.119 0.000 1.374 233 I CB -0.281 37.802 38.000 0.139 0.000 1.057 233 I HN 0.179 nan 8.210 nan 0.000 0.413 234 K N 1.314 121.778 120.400 0.107 0.000 2.097 234 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 234 K C 2.073 178.739 176.600 0.110 0.000 1.049 234 K CA 1.401 57.754 56.287 0.110 0.000 0.933 234 K CB 0.076 32.620 32.500 0.074 0.000 0.717 234 K HN 0.199 nan 8.250 nan 0.000 0.442 235 K N 0.274 120.721 120.400 0.079 0.000 2.097 235 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 235 K C 2.044 178.688 176.600 0.074 0.000 1.050 235 K CA 1.284 57.606 56.287 0.058 0.000 0.938 235 K CB -0.063 32.452 32.500 0.026 0.000 0.718 235 K HN 0.198 nan 8.250 nan 0.000 0.442 236 I N 1.356 121.998 120.570 0.120 0.000 2.252 236 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 236 I C 2.029 178.309 176.117 0.271 0.000 1.102 236 I CA 1.370 62.770 61.300 0.166 0.000 1.385 236 I CB -0.228 37.943 38.000 0.285 0.000 1.064 236 I HN 0.222 nan 8.210 nan 0.000 0.414 237 E N 0.464 120.871 120.200 0.345 0.000 2.110 237 E HA -0.287 4.062 4.350 -0.000 0.000 0.193 237 E C 2.009 178.800 176.600 0.318 0.000 0.988 237 E CA 1.187 57.860 56.400 0.454 0.000 0.804 237 E CB -0.099 29.842 29.700 0.401 0.000 0.745 237 E HN 0.472 nan 8.360 nan 0.000 0.458 238 E N 0.718 121.030 120.200 0.188 0.000 2.106 238 E HA -0.157 4.192 4.350 -0.000 0.000 0.192 238 E C 2.083 178.722 176.600 0.065 0.000 0.984 238 E CA 0.502 56.974 56.400 0.120 0.000 0.806 238 E CB 0.078 29.823 29.700 0.075 0.000 0.750 238 E HN 0.208 nan 8.360 nan 0.000 0.458 239 L N -0.168 121.059 121.223 0.007 0.000 2.046 239 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 239 L C 2.234 179.006 176.870 -0.164 0.000 1.077 239 L CA 0.940 55.725 54.840 -0.092 0.000 0.747 239 L CB -0.439 41.506 42.059 -0.191 0.000 0.896 239 L HN 0.181 nan 8.230 nan 0.000 0.432 240 F N 0.526 120.369 119.950 -0.178 0.000 2.102 240 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 240 F C 2.454 178.046 175.800 -0.348 0.000 1.105 240 F CA 1.476 59.196 58.000 -0.468 0.000 1.239 240 F CB -0.534 37.748 39.000 -1.197 0.000 0.991 240 F HN 0.129 nan 8.300 nan 0.000 0.474 241 D N 0.157 120.577 120.400 0.033 0.000 2.104 241 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 241 D C 2.159 178.552 176.300 0.155 0.000 0.994 241 D CA 1.309 55.399 54.000 0.150 0.000 0.830 241 D CB -0.320 40.600 40.800 0.199 0.000 0.959 241 D HN 0.279 nan 8.370 nan 0.000 0.452 242 K N -0.037 120.441 120.400 0.130 0.000 2.103 242 K HA -0.038 4.282 4.320 -0.000 0.000 0.204 242 K C 2.183 178.867 176.600 0.140 0.000 1.052 242 K CA 0.965 57.356 56.287 0.174 0.000 0.945 242 K CB -0.003 32.578 32.500 0.136 0.000 0.722 242 K HN 0.033 nan 8.250 nan 0.000 0.443 243 T N 1.918 116.539 114.554 0.112 0.000 2.708 243 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 243 T C 1.813 176.557 174.700 0.074 0.000 1.037 243 T CA 1.041 63.227 62.100 0.143 0.000 1.146 243 T CB -0.132 68.750 68.868 0.022 0.000 0.865 243 T HN 0.104 nan 8.240 nan 0.000 0.435 244 L N -0.176 121.069 121.223 0.037 0.000 2.093 244 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 244 L C 2.514 179.464 176.870 0.133 0.000 1.085 244 L CA 1.095 55.970 54.840 0.059 0.000 0.755 244 L CB -0.552 41.551 42.059 0.073 0.000 0.904 244 L HN 0.496 nan 8.230 nan 0.000 0.435 245 W N 1.565 122.845 121.300 -0.032 0.000 2.335 245 W HA -0.183 4.477 4.660 -0.000 0.000 0.311 245 W C 2.020 178.401 176.519 -0.231 0.000 1.213 245 W CA 1.455 58.758 57.345 -0.070 0.000 1.274 245 W CB -0.299 29.138 29.460 -0.038 0.000 1.148 245 W HN 0.185 nan 8.180 nan 0.000 0.498 246 G N 1.124 109.523 108.800 -0.669 0.000 2.476 246 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 246 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 246 G C 1.420 175.938 174.900 -0.637 0.000 1.164 246 G CA 1.981 46.133 45.100 -1.580 0.000 0.768 246 G HN 0.251 nan 8.290 nan 0.000 0.560 247 V N 0.456 120.320 119.914 -0.084 0.000 2.343 247 V HA -0.183 3.936 4.120 -0.000 0.000 0.247 247 V C 2.635 178.721 176.094 -0.012 0.000 1.051 247 V CA 2.197 64.527 62.300 0.051 0.000 1.036 247 V CB -0.478 31.406 31.823 0.102 0.000 0.654 247 V HN 0.445 nan 8.190 nan 0.000 0.451 248 E N -0.085 120.050 120.200 -0.109 0.000 2.051 248 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 248 E C 2.340 178.768 176.600 -0.288 0.000 0.991 248 E CA 1.259 57.597 56.400 -0.103 0.000 0.799 248 E CB -0.105 29.625 29.700 0.049 0.000 0.748 248 E HN 0.479 nan 8.360 nan 0.000 0.449 249 K N 0.553 120.539 120.400 -0.691 0.000 2.209 249 K HA -0.131 4.188 4.320 -0.000 0.000 0.204 249 K C 1.588 178.058 176.600 -0.217 0.000 1.048 249 K CA 0.848 56.752 56.287 -0.639 0.000 0.940 249 K CB 0.229 32.121 32.500 -1.013 0.000 0.729 249 K HN -0.014 nan 8.250 nan 0.000 0.451 250 E N -0.865 119.281 120.200 -0.091 0.000 2.482 250 E HA -0.029 4.321 4.350 -0.000 0.000 0.196 250 E C 1.018 177.594 176.600 -0.041 0.000 1.047 250 E CA 0.874 57.347 56.400 0.122 0.000 0.869 250 E CB 0.676 30.603 29.700 0.378 0.000 0.836 250 E HN 0.568 nan 8.360 nan 0.000 0.520 251 G N 0.081 108.758 108.800 -0.204 0.000 2.184 251 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.206 251 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.206 251 G C -0.126 174.431 174.900 -0.572 0.000 0.995 251 G CA -0.149 44.680 45.100 -0.452 0.000 0.651 251 G HN 0.188 nan 8.290 nan 0.000 0.511 252 Y N 0.306 120.594 120.300 -0.021 0.000 2.621 252 Y HA 0.789 5.339 4.550 -0.000 0.000 0.334 252 Y C 0.469 176.368 175.900 -0.003 0.000 1.074 252 Y CA -0.528 57.561 58.100 -0.019 0.000 1.149 252 Y CB 1.964 40.407 38.460 -0.030 0.000 1.302 252 Y HN 0.548 nan 8.280 nan 0.000 0.501 253 A N 0.719 123.642 122.820 0.170 0.000 2.359 253 A HA 0.524 4.844 4.320 -0.000 0.000 0.303 253 A C -2.158 175.494 177.584 0.114 0.000 1.066 253 A CA -0.617 51.495 52.037 0.125 0.000 0.730 253 A CB 0.375 19.424 19.000 0.082 0.000 1.211 253 A HN 0.665 nan 8.150 nan 0.000 0.439 254 Y N 2.701 123.010 120.300 0.015 0.000 2.359 254 Y HA 0.518 5.068 4.550 -0.000 0.000 0.334 254 Y C 0.464 176.338 175.900 -0.043 0.000 1.058 254 Y CA 0.255 58.336 58.100 -0.031 0.000 1.244 254 Y CB 0.617 39.054 38.460 -0.039 0.000 1.187 254 Y HN 0.646 nan 8.280 nan 0.000 0.510 255 R N 4.221 124.652 120.500 -0.115 0.000 2.575 255 R HA 0.714 5.054 4.340 -0.000 0.000 0.293 255 R C -0.193 175.824 176.300 -0.472 0.000 0.983 255 R CA -0.404 55.641 56.100 -0.091 0.000 0.887 255 R CB 1.838 32.125 30.300 -0.021 0.000 1.184 255 R HN 0.939 nan 8.270 nan 0.000 0.445 256 G N 2.057 110.341 108.800 -0.861 0.000 2.250 256 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.196 256 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.196 256 G C -1.527 172.921 174.900 -0.752 0.000 1.308 256 G CA -0.952 43.292 45.100 -1.426 0.000 1.207 256 G HN 0.306 nan 8.290 nan 0.000 0.505 257 F N 0.072 119.975 119.950 -0.078 0.000 2.480 257 F HA 0.832 5.358 4.527 -0.000 0.000 0.329 257 F C 0.090 176.031 175.800 0.236 0.000 1.091 257 F CA -0.888 57.170 58.000 0.097 0.000 0.972 257 F CB 2.069 41.133 39.000 0.106 0.000 1.150 257 F HN 0.477 nan 8.300 nan 0.000 0.467 258 L N 3.809 125.244 121.223 0.354 0.000 2.409 258 L HA 0.509 4.848 4.340 -0.000 0.000 0.272 258 L C -1.931 175.182 176.870 0.404 0.000 0.980 258 L CA -0.925 54.085 54.840 0.282 0.000 0.826 258 L CB 1.424 43.462 42.059 -0.035 0.000 1.268 258 L HN 0.553 nan 8.230 nan 0.000 0.407 259 Y N 5.385 125.830 120.300 0.242 0.000 2.364 259 Y HA 0.717 5.267 4.550 -0.000 0.000 0.340 259 Y C -1.592 174.409 175.900 0.169 0.000 0.975 259 Y CA -1.049 57.174 58.100 0.205 0.000 1.089 259 Y CB 1.395 39.942 38.460 0.146 0.000 1.192 259 Y HN 0.540 nan 8.280 nan 0.000 0.454 260 L N 6.562 127.620 121.223 -0.274 0.000 2.305 260 L HA 0.583 4.923 4.340 -0.000 0.000 0.284 260 L C 0.518 177.093 176.870 -0.492 0.000 1.013 260 L CA -1.091 53.583 54.840 -0.276 0.000 0.819 260 L CB 1.589 43.430 42.059 -0.364 0.000 1.227 260 L HN 0.935 nan 8.230 nan 0.000 0.417 261 G N 4.369 113.087 108.800 -0.136 0.000 2.339 261 G HA2 0.596 4.556 3.960 -0.000 0.000 0.287 261 G HA3 0.596 4.556 3.960 -0.000 0.000 0.287 261 G C -0.415 174.438 174.900 -0.078 0.000 1.163 261 G CA -0.263 44.822 45.100 -0.025 0.000 0.872 261 G HN 0.406 nan 8.290 nan 0.000 0.464 265 H N 3.232 122.298 119.070 -0.006 0.000 2.744 265 H HA 0.344 4.900 4.556 -0.000 0.000 0.339 265 H C -0.572 174.762 175.328 0.010 0.000 1.004 265 H CA -0.209 55.780 56.048 -0.098 0.000 1.257 265 H CB 1.382 30.915 29.762 -0.382 0.000 1.552 265 H HN 0.594 nan 8.280 nan 0.000 0.522 266 D N 4.513 124.674 120.400 -0.398 0.000 2.697 266 D HA -0.195 4.445 4.640 -0.000 0.000 0.235 266 D C 1.117 177.363 176.300 -0.090 0.000 1.167 266 D CA 1.757 55.585 54.000 -0.287 0.000 0.656 266 D CB -1.141 39.411 40.800 -0.414 0.000 1.025 266 D HN 1.162 nan 8.370 nan 0.000 0.419 267 G N -0.213 108.564 108.800 -0.038 0.000 2.212 267 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.266 267 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.266 267 G C -0.090 174.830 174.900 0.033 0.000 0.978 267 G CA 0.631 45.729 45.100 -0.002 0.000 0.632 267 G HN 0.494 nan 8.290 nan 0.000 0.537 268 D N 0.886 121.342 120.400 0.094 0.000 2.481 268 D HA 0.515 5.155 4.640 -0.000 0.000 0.244 268 D C -2.698 173.720 176.300 0.197 0.000 1.057 268 D CA -1.267 52.799 54.000 0.111 0.000 0.848 268 D CB 2.575 43.433 40.800 0.096 0.000 1.388 268 D HN 0.092 nan 8.370 nan 0.000 0.475 269 P HA 0.257 nan 4.420 nan 0.000 0.293 269 P C -1.156 176.164 177.300 0.034 0.000 1.300 269 P CA -0.284 62.873 63.100 0.095 0.000 0.792 269 P CB 0.340 32.050 31.700 0.017 0.000 0.925 270 Y N 2.136 122.415 120.300 -0.034 0.000 2.360 270 Y HA 0.379 4.929 4.550 -0.000 0.000 0.337 270 Y C 1.012 176.849 175.900 -0.106 0.000 1.039 270 Y CA -0.891 57.176 58.100 -0.054 0.000 1.109 270 Y CB 1.304 39.736 38.460 -0.047 0.000 1.201 270 Y HN 0.218 nan 8.280 nan 0.000 0.458 271 I N 4.987 125.531 120.570 -0.042 0.000 2.379 271 I HA 0.040 4.210 4.170 -0.000 0.000 0.290 271 I C 0.735 176.769 176.117 -0.140 0.000 1.063 271 I CA 0.262 61.459 61.300 -0.172 0.000 1.351 271 I CB 0.767 38.550 38.000 -0.361 0.000 1.410 271 I HN 0.700 nan 8.210 nan 0.000 0.505 272 L N 5.881 127.035 121.223 -0.115 0.000 2.209 272 L HA 0.095 4.434 4.340 -0.000 0.000 0.207 272 L C 0.602 177.411 176.870 -0.102 0.000 1.094 272 L CA 0.712 55.502 54.840 -0.083 0.000 0.790 272 L CB -0.176 41.856 42.059 -0.046 0.000 0.932 272 L HN 0.725 nan 8.230 nan 0.000 0.447 273 E N -2.267 117.849 120.200 -0.140 0.000 2.392 273 E HA 0.269 4.618 4.350 -0.000 0.000 0.281 273 E C -1.735 174.795 176.600 -0.116 0.000 1.088 273 E CA -0.843 55.491 56.400 -0.109 0.000 0.850 273 E CB 0.791 30.505 29.700 0.022 0.000 1.267 273 E HN -0.183 nan 8.360 nan 0.000 0.438 274 Y N 0.954 121.307 120.300 0.087 0.000 2.342 274 Y HA 0.502 5.052 4.550 -0.000 0.000 0.334 274 Y C -0.195 175.801 175.900 0.160 0.000 1.067 274 Y CA -0.676 57.495 58.100 0.119 0.000 1.128 274 Y CB 1.640 40.134 38.460 0.057 0.000 1.200 274 Y HN 0.462 nan 8.280 nan 0.000 0.464 275 N N 0.496 119.441 118.700 0.409 0.000 2.292 275 N HA 0.464 5.204 4.740 -0.000 0.000 0.303 275 N C -0.448 175.219 175.510 0.261 0.000 1.140 275 N CA -0.778 52.402 53.050 0.216 0.000 0.788 275 N CB 2.092 40.538 38.487 -0.067 0.000 1.361 275 N HN 0.360 nan 8.380 nan 0.000 0.489 276 V N -1.519 118.500 119.914 0.175 0.000 2.933 276 V HA 0.568 4.688 4.120 -0.000 0.000 0.374 276 V C -0.167 176.017 176.094 0.151 0.000 1.321 276 V CA -0.328 62.094 62.300 0.204 0.000 1.290 276 V CB -1.432 30.453 31.823 0.104 0.000 1.346 276 V HN 0.768 nan 8.190 nan 0.000 0.560 277 R N -0.933 119.652 120.500 0.142 0.000 2.756 277 R HA 0.707 5.047 4.340 -0.000 0.000 0.273 277 R C -1.274 175.053 176.300 0.044 0.000 1.030 277 R CA -1.045 55.116 56.100 0.101 0.000 0.887 277 R CB 0.772 31.069 30.300 -0.005 0.000 1.274 277 R HN 0.088 nan 8.270 nan 0.000 0.461 278 L N 0.774 121.932 121.223 -0.109 0.000 2.439 278 L HA 0.546 4.886 4.340 -0.000 0.000 0.261 278 L C 1.086 177.903 176.870 -0.089 0.000 1.153 278 L CA -0.257 54.541 54.840 -0.071 0.000 0.808 278 L CB 0.860 42.782 42.059 -0.229 0.000 1.126 278 L HN 0.908 nan 8.230 nan 0.000 0.460 279 G N -0.113 108.677 108.800 -0.018 0.000 2.634 279 G HA2 0.236 4.196 3.960 -0.000 0.000 0.255 279 G HA3 0.236 4.196 3.960 -0.000 0.000 0.255 279 G C -1.121 173.740 174.900 -0.064 0.000 1.205 279 G CA -0.091 44.967 45.100 -0.070 0.000 0.884 279 G HN 0.623 nan 8.290 nan 0.000 0.549 280 D N -0.208 120.165 120.400 -0.044 0.000 2.575 280 D HA 0.340 4.980 4.640 -0.000 0.000 0.250 280 D C -2.137 174.199 176.300 0.061 0.000 1.279 280 D CA -1.754 52.228 54.000 -0.029 0.000 0.925 280 D CB 2.507 43.286 40.800 -0.034 0.000 1.261 280 D HN 0.103 nan 8.370 nan 0.000 0.567 281 P HA 0.236 nan 4.420 nan 0.000 0.259 281 P C 0.270 177.576 177.300 0.010 0.000 1.530 281 P CA -0.018 63.115 63.100 0.056 0.000 1.022 281 P CB 0.687 32.519 31.700 0.221 0.000 1.514 282 E N -0.229 119.981 120.200 0.017 0.000 2.106 282 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 282 E C 1.792 178.356 176.600 -0.059 0.000 0.984 282 E CA 1.700 58.109 56.400 0.014 0.000 0.806 282 E CB -0.950 28.790 29.700 0.067 0.000 0.750 282 E HN 0.179 nan 8.360 nan 0.000 0.458 283 T N 0.980 115.459 114.554 -0.124 0.000 2.665 283 T HA -0.203 4.146 4.350 -0.000 0.000 0.268 283 T C 1.525 176.031 174.700 -0.324 0.000 1.035 283 T CA 1.678 63.633 62.100 -0.241 0.000 1.151 283 T CB -0.307 68.390 68.868 -0.285 0.000 0.862 283 T HN 0.144 nan 8.240 nan 0.000 0.438 284 E N 0.494 120.494 120.200 -0.333 0.000 2.070 284 E HA -0.115 4.234 4.350 -0.000 0.000 0.197 284 E C 2.323 178.855 176.600 -0.113 0.000 1.004 284 E CA 1.018 57.208 56.400 -0.349 0.000 0.805 284 E CB -0.690 28.892 29.700 -0.197 0.000 0.744 284 E HN 0.267 nan 8.360 nan 0.000 0.451 285 V N 0.648 120.536 119.914 -0.044 0.000 2.270 285 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 285 V C 2.228 178.319 176.094 -0.004 0.000 1.043 285 V CA 1.667 63.983 62.300 0.027 0.000 1.014 285 V CB -0.468 31.395 31.823 0.065 0.000 0.645 285 V HN 0.254 nan 8.190 nan 0.000 0.447 286 I N -0.238 120.298 120.570 -0.057 0.000 2.087 286 I HA -0.296 3.874 4.170 -0.000 0.000 0.240 286 I C 2.437 178.493 176.117 -0.103 0.000 1.054 286 I CA 1.780 63.039 61.300 -0.069 0.000 1.311 286 I CB -0.399 37.546 38.000 -0.093 0.000 1.024 286 I HN 0.137 nan 8.210 nan 0.000 0.402 287 V N 0.302 120.063 119.914 -0.255 0.000 2.332 287 V HA -0.316 3.803 4.120 -0.000 0.000 0.248 287 V C 2.348 178.474 176.094 0.054 0.000 1.055 287 V CA 2.517 64.659 62.300 -0.263 0.000 1.038 287 V CB -0.835 30.716 31.823 -0.454 0.000 0.651 287 V HN 0.504 nan 8.190 nan 0.000 0.450 288 T N -0.144 114.456 114.554 0.076 0.000 3.035 288 T HA 0.020 4.370 4.350 -0.000 0.000 0.268 288 T C 1.725 176.502 174.700 0.128 0.000 1.109 288 T CA 0.865 63.057 62.100 0.153 0.000 1.119 288 T CB -0.139 68.786 68.868 0.095 0.000 0.900 288 T HN 0.313 nan 8.240 nan 0.000 0.503 289 L N 0.527 121.799 121.223 0.081 0.000 2.313 289 L HA 0.174 4.514 4.340 -0.000 0.000 0.214 289 L C 0.868 177.778 176.870 0.067 0.000 1.119 289 L CA 0.534 55.412 54.840 0.064 0.000 0.809 289 L CB 0.146 42.227 42.059 0.036 0.000 0.933 289 L HN 0.180 nan 8.230 nan 0.000 0.449 290 N N -1.392 117.359 118.700 0.085 0.000 3.354 290 N HA 0.082 4.822 4.740 -0.000 0.000 0.196 290 N C -2.332 173.241 175.510 0.105 0.000 1.486 290 N CA -0.769 52.333 53.050 0.086 0.000 0.768 290 N CB 0.848 39.376 38.487 0.068 0.000 1.625 290 N HN -0.271 nan 8.380 nan 0.000 0.636 291 P HA -0.104 nan 4.420 nan 0.000 0.217 291 P C 1.169 178.481 177.300 0.019 0.000 1.150 291 P CA 0.947 64.088 63.100 0.067 0.000 0.832 291 P CB 0.602 32.295 31.700 -0.011 0.000 0.787 292 E N -0.186 120.014 120.200 -0.000 0.000 2.038 292 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 292 E C 2.167 178.766 176.600 -0.002 0.000 1.000 292 E CA 1.672 58.062 56.400 -0.017 0.000 0.803 292 E CB -0.933 28.764 29.700 -0.005 0.000 0.750 292 E HN 0.173 nan 8.360 nan 0.000 0.448 293 G N 0.136 108.958 108.800 0.038 0.000 2.403 293 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.216 293 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.216 293 G C 1.343 176.276 174.900 0.056 0.000 1.154 293 G CA 0.506 45.627 45.100 0.036 0.000 0.784 293 G HN 0.358 nan 8.290 nan 0.000 0.538 294 F N 1.481 121.404 119.950 -0.046 0.000 2.046 294 F HA -0.142 4.385 4.527 -0.000 0.000 0.297 294 F C 2.712 178.453 175.800 -0.097 0.000 1.123 294 F CA 1.789 59.770 58.000 -0.032 0.000 1.199 294 F CB -0.499 38.486 39.000 -0.025 0.000 0.972 294 F HN -0.003 nan 8.300 nan 0.000 0.474 295 V N 1.168 120.985 119.914 -0.162 0.000 2.282 295 V HA -0.388 3.732 4.120 -0.000 0.000 0.249 295 V C 2.251 178.161 176.094 -0.308 0.000 1.057 295 V CA 2.295 64.289 62.300 -0.510 0.000 1.032 295 V CB -0.921 30.516 31.823 -0.643 0.000 0.645 295 V HN 0.405 nan 8.190 nan 0.000 0.447 296 N N 0.378 118.978 118.700 -0.167 0.000 2.069 296 N HA -0.139 4.601 4.740 -0.000 0.000 0.191 296 N C 1.870 177.310 175.510 -0.117 0.000 1.031 296 N CA 1.790 54.781 53.050 -0.098 0.000 0.852 296 N CB -0.609 37.847 38.487 -0.051 0.000 1.018 296 N HN 0.506 nan 8.380 nan 0.000 0.423 297 A N 0.573 123.309 122.820 -0.140 0.000 1.902 297 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 297 A C 2.513 179.996 177.584 -0.169 0.000 1.181 297 A CA 1.283 53.244 52.037 -0.127 0.000 0.623 297 A CB -0.774 18.162 19.000 -0.107 0.000 0.818 297 A HN 0.109 nan 8.150 nan 0.000 0.443 298 V N 0.012 119.763 119.914 -0.273 0.000 2.343 298 V HA -0.256 3.863 4.120 -0.000 0.000 0.247 298 V C 2.559 178.415 176.094 -0.396 0.000 1.051 298 V CA 2.019 64.120 62.300 -0.332 0.000 1.036 298 V CB -0.726 30.931 31.823 -0.277 0.000 0.654 298 V HN 0.560 nan 8.190 nan 0.000 0.451 299 L N -0.738 120.350 121.223 -0.225 0.000 2.072 299 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 299 L C 2.734 179.542 176.870 -0.104 0.000 1.079 299 L CA 1.201 55.950 54.840 -0.151 0.000 0.752 299 L CB -0.609 41.410 42.059 -0.066 0.000 0.906 299 L HN 0.269 nan 8.230 nan 0.000 0.436 300 E N 0.350 120.493 120.200 -0.095 0.000 2.077 300 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 300 E C 2.173 178.730 176.600 -0.072 0.000 0.989 300 E CA 1.390 57.751 56.400 -0.065 0.000 0.800 300 E CB -0.448 29.220 29.700 -0.053 0.000 0.746 300 E HN 0.507 nan 8.360 nan 0.000 0.452 301 G N 0.265 109.012 108.800 -0.089 0.000 2.446 301 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 301 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 301 G C 1.601 176.474 174.900 -0.044 0.000 1.168 301 G CA 0.938 46.037 45.100 -0.002 0.000 0.771 301 G HN 0.299 nan 8.290 nan 0.000 0.551 302 Y N 2.167 122.142 120.300 -0.542 0.000 2.165 302 Y HA -0.110 4.440 4.550 -0.000 0.000 0.286 302 Y C 3.099 178.884 175.900 -0.191 0.000 1.155 302 Y CA 2.705 60.506 58.100 -0.498 0.000 1.164 302 Y CB -0.321 37.694 38.460 -0.741 0.000 0.978 302 Y HN 0.224 nan 8.280 nan 0.000 0.513 303 R N 0.334 120.746 120.500 -0.146 0.000 2.307 303 R HA 0.308 4.647 4.340 -0.000 0.000 0.199 303 R C 1.923 178.144 176.300 -0.131 0.000 1.000 303 R CA 1.170 57.186 56.100 -0.139 0.000 1.023 303 R CB -1.628 28.653 30.300 -0.032 0.000 0.908 303 R HN 0.860 nan 8.270 nan 0.000 0.473 304 G N -2.076 106.660 108.800 -0.106 0.000 2.157 304 G HA2 -0.076 3.883 3.960 -0.000 0.000 0.248 304 G HA3 -0.076 3.883 3.960 -0.000 0.000 0.248 304 G C 0.733 175.610 174.900 -0.037 0.000 0.979 304 G CA 0.458 45.520 45.100 -0.062 0.000 0.650 304 G HN 1.364 nan 8.290 nan 0.000 0.529 305 G N -0.621 108.157 108.800 -0.037 0.000 2.535 305 G HA2 0.596 4.555 3.960 -0.000 0.000 0.303 305 G HA3 0.596 4.555 3.960 -0.000 0.000 0.303 305 G C 0.347 175.232 174.900 -0.026 0.000 1.237 305 G CA -0.301 44.782 45.100 -0.028 0.000 0.986 305 G HN 0.394 nan 8.290 nan 0.000 0.494 309 P HA 0.082 nan 4.420 nan 0.000 0.265 309 P C -0.425 176.864 177.300 -0.019 0.000 1.187 309 P CA -0.259 62.815 63.100 -0.043 0.000 0.766 309 P CB 0.397 32.075 31.700 -0.037 0.000 0.820 310 V N 3.920 123.830 119.914 -0.007 0.000 2.320 310 V HA 0.106 4.226 4.120 -0.000 0.000 0.265 310 V C 0.479 176.584 176.094 0.018 0.000 1.048 310 V CA -0.335 61.977 62.300 0.021 0.000 0.865 310 V CB 0.146 32.003 31.823 0.057 0.000 1.043 310 V HN 0.469 nan 8.190 nan 0.000 0.474 311 E N 7.052 127.262 120.200 0.016 0.000 2.259 311 E HA 0.334 4.684 4.350 -0.000 0.000 0.281 311 E C -2.452 174.156 176.600 0.012 0.000 1.027 311 E CA -1.979 54.428 56.400 0.012 0.000 0.838 311 E CB 1.587 31.292 29.700 0.008 0.000 1.066 311 E HN 0.385 nan 8.360 nan 0.000 0.401 312 P HA 0.271 nan 4.420 nan 0.000 0.279 312 P C -0.693 176.587 177.300 -0.033 0.000 1.239 312 P CA -0.560 62.530 63.100 -0.016 0.000 0.789 312 P CB 0.766 32.439 31.700 -0.044 0.000 0.933 313 R N 1.866 122.356 120.500 -0.016 0.000 2.288 313 R HA 0.625 4.964 4.340 -0.000 0.000 0.326 313 R C 0.937 177.224 176.300 -0.022 0.000 0.959 313 R CA 0.355 56.447 56.100 -0.013 0.000 0.834 313 R CB 0.682 30.995 30.300 0.021 0.000 1.157 313 R HN 0.884 nan 8.270 nan 0.000 0.470 314 G N 2.008 110.767 108.800 -0.069 0.000 2.553 314 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.242 314 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.242 314 G C -0.890 173.872 174.900 -0.230 0.000 1.277 314 G CA -0.532 44.545 45.100 -0.038 0.000 0.910 314 G HN 0.375 nan 8.290 nan 0.000 0.576 315 F N 0.820 120.836 119.950 0.109 0.000 2.532 315 F HA 0.754 5.281 4.527 -0.000 0.000 0.321 315 F C 0.731 176.610 175.800 0.132 0.000 1.089 315 F CA 0.077 58.169 58.000 0.152 0.000 0.926 315 F CB 2.457 41.545 39.000 0.148 0.000 1.168 315 F HN 0.952 nan 8.300 nan 0.000 0.459 316 A N 1.978 125.006 122.820 0.346 0.000 2.365 316 A HA 0.887 5.206 4.320 -0.000 0.000 0.318 316 A C -1.582 176.181 177.584 0.300 0.000 1.091 316 A CA -0.717 51.464 52.037 0.240 0.000 0.763 316 A CB 1.448 20.544 19.000 0.161 0.000 1.248 316 A HN 0.536 nan 8.150 nan 0.000 0.442 317 V N 2.020 122.050 119.914 0.193 0.000 2.588 317 V HA 0.449 4.569 4.120 -0.000 0.000 0.304 317 V C -1.223 174.917 176.094 0.076 0.000 1.042 317 V CA -0.524 61.887 62.300 0.184 0.000 0.877 317 V CB 2.003 33.884 31.823 0.097 0.000 0.996 317 V HN 0.958 nan 8.190 nan 0.000 0.425 318 D N 3.635 124.096 120.400 0.101 0.000 2.440 318 D HA 0.445 5.085 4.640 -0.000 0.000 0.239 318 D C -0.881 175.408 176.300 -0.018 0.000 1.084 318 D CA -0.201 53.831 54.000 0.053 0.000 0.843 318 D CB 1.916 42.802 40.800 0.144 0.000 1.097 318 D HN 0.233 nan 8.370 nan 0.000 0.531 319 V N 4.586 124.405 119.914 -0.159 0.000 2.350 319 V HA 0.257 4.376 4.120 -0.000 0.000 0.276 319 V C 0.321 176.320 176.094 -0.157 0.000 1.028 319 V CA -0.864 61.300 62.300 -0.227 0.000 0.860 319 V CB 1.486 32.991 31.823 -0.530 0.000 0.990 319 V HN 0.404 nan 8.190 nan 0.000 0.453 320 V N 7.050 126.905 119.914 -0.098 0.000 2.455 320 V HA 0.271 4.391 4.120 -0.000 0.000 0.273 320 V C 0.194 176.223 176.094 -0.109 0.000 1.045 320 V CA -0.275 61.916 62.300 -0.181 0.000 0.976 320 V CB 1.101 32.825 31.823 -0.164 0.000 0.993 320 V HN 0.606 nan 8.190 nan 0.000 0.475 321 L N 5.420 126.555 121.223 -0.146 0.000 2.260 321 L HA 0.703 5.043 4.340 -0.000 0.000 0.289 321 L C 0.474 177.373 176.870 0.049 0.000 1.057 321 L CA 0.045 54.876 54.840 -0.015 0.000 0.811 321 L CB 0.993 43.066 42.059 0.024 0.000 1.184 321 L HN 0.764 nan 8.230 nan 0.000 0.429 322 A N 2.935 125.817 122.820 0.103 0.000 2.313 322 A HA 0.910 5.230 4.320 -0.000 0.000 0.323 322 A C -0.229 177.517 177.584 0.269 0.000 1.133 322 A CA -0.509 51.553 52.037 0.042 0.000 0.847 322 A CB 1.371 20.313 19.000 -0.096 0.000 1.308 322 A HN 0.709 nan 8.150 nan 0.000 0.475 323 A N 0.213 123.150 122.820 0.196 0.000 2.322 323 A HA 0.562 4.882 4.320 -0.000 0.000 0.269 323 A C 0.661 178.384 177.584 0.232 0.000 1.094 323 A CA -0.477 51.735 52.037 0.291 0.000 0.807 323 A CB 0.092 19.191 19.000 0.164 0.000 1.047 323 A HN 0.906 nan 8.150 nan 0.000 0.487 324 R N 0.594 121.213 120.500 0.199 0.000 2.538 324 R HA 0.298 4.638 4.340 -0.000 0.000 0.282 324 R C 1.172 177.555 176.300 0.139 0.000 1.009 324 R CA 1.546 57.730 56.100 0.140 0.000 1.063 324 R CB -0.154 30.208 30.300 0.103 0.000 0.945 324 R HN 1.704 nan 8.270 nan 0.000 0.414 325 G N 2.847 111.722 108.800 0.125 0.000 2.232 325 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.226 325 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.226 325 G C -0.305 174.675 174.900 0.134 0.000 0.996 325 G CA 0.172 45.336 45.100 0.108 0.000 0.626 325 G HN 0.703 nan 8.290 nan 0.000 0.509 326 Y N 3.687 124.019 120.300 0.053 0.000 2.620 326 Y HA 0.437 4.986 4.550 -0.000 0.000 0.330 326 Y C -0.693 175.233 175.900 0.043 0.000 1.186 326 Y CA -0.704 57.425 58.100 0.049 0.000 1.467 326 Y CB 1.328 39.823 38.460 0.058 0.000 1.262 326 Y HN 0.084 nan 8.280 nan 0.000 0.550 327 P HA 0.066 nan 4.420 nan 0.000 0.244 327 P C 0.398 177.604 177.300 -0.157 0.000 1.191 327 P CA 0.640 63.344 63.100 -0.660 0.000 0.829 327 P CB 0.654 31.846 31.700 -0.846 0.000 1.008 328 D N 0.741 121.081 120.400 -0.100 0.000 2.350 328 D HA 0.134 4.773 4.640 -0.000 0.000 0.216 328 D C 0.679 176.985 176.300 0.011 0.000 0.968 328 D CA 0.988 54.967 54.000 -0.036 0.000 0.894 328 D CB -0.089 40.693 40.800 -0.031 0.000 0.909 328 D HN 0.160 nan 8.370 nan 0.000 0.520 329 A N 0.349 123.193 122.820 0.040 0.000 2.642 329 A HA 0.262 4.582 4.320 -0.000 0.000 0.261 329 A C -2.771 174.866 177.584 0.087 0.000 1.335 329 A CA -0.970 51.102 52.037 0.057 0.000 1.073 329 A CB 0.150 19.174 19.000 0.040 0.000 1.369 329 A HN -0.158 nan 8.150 nan 0.000 0.706 330 P HA 0.242 nan 4.420 nan 0.000 0.269 330 P C -0.239 177.117 177.300 0.094 0.000 1.209 330 P CA 0.339 63.523 63.100 0.141 0.000 0.776 330 P CB 0.721 32.519 31.700 0.164 0.000 0.876 331 E N 2.544 122.801 120.200 0.095 0.000 2.249 331 E HA 0.325 4.675 4.350 -0.000 0.000 0.280 331 E C -0.611 176.024 176.600 0.058 0.000 1.016 331 E CA -0.876 55.568 56.400 0.074 0.000 0.830 331 E CB 1.119 30.866 29.700 0.078 0.000 1.081 331 E HN 0.291 nan 8.360 nan 0.000 0.395 332 K N 1.361 121.782 120.400 0.036 0.000 2.288 332 K HA 0.523 4.843 4.320 -0.000 0.000 0.234 332 K C 0.516 177.121 176.600 0.009 0.000 1.037 332 K CA -0.694 55.597 56.287 0.008 0.000 0.914 332 K CB 1.432 33.933 32.500 0.003 0.000 1.197 332 K HN 0.846 nan 8.250 nan 0.000 0.471 333 G N 0.450 109.242 108.800 -0.012 0.000 2.179 333 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 333 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 333 G C -0.123 174.780 174.900 0.005 0.000 0.977 333 G CA 0.147 45.245 45.100 -0.004 0.000 0.641 333 G HN 0.337 nan 8.290 nan 0.000 0.533 334 K N 1.001 121.410 120.400 0.015 0.000 2.185 334 K HA 0.400 4.720 4.320 -0.000 0.000 0.271 334 K C 0.261 176.889 176.600 0.045 0.000 1.013 334 K CA -0.537 55.787 56.287 0.061 0.000 0.943 334 K CB 1.437 34.025 32.500 0.147 0.000 0.998 334 K HN 0.504 nan 8.250 nan 0.000 0.468 335 E N 2.565 122.810 120.200 0.075 0.000 2.229 335 E HA 0.160 4.509 4.350 -0.000 0.000 0.283 335 E C -0.735 175.931 176.600 0.110 0.000 1.030 335 E CA -0.417 56.020 56.400 0.062 0.000 0.836 335 E CB 0.544 30.276 29.700 0.054 0.000 1.068 335 E HN 0.359 nan 8.360 nan 0.000 0.401 336 I N 3.926 124.541 120.570 0.075 0.000 2.312 336 I HA 0.137 4.307 4.170 -0.000 0.000 0.290 336 I C 0.190 176.379 176.117 0.120 0.000 1.008 336 I CA -0.357 61.016 61.300 0.122 0.000 1.226 336 I CB 1.737 39.753 38.000 0.027 0.000 1.371 336 I HN 0.383 nan 8.210 nan 0.000 0.468 337 T N 7.521 122.170 114.554 0.158 0.000 2.806 337 T HA 0.575 4.925 4.350 -0.000 0.000 0.290 337 T C -0.166 174.599 174.700 0.108 0.000 0.966 337 T CA -0.264 61.916 62.100 0.133 0.000 1.060 337 T CB 0.549 69.520 68.868 0.170 0.000 0.927 337 T HN 0.283 nan 8.240 nan 0.000 0.485 338 L N 5.404 126.674 121.223 0.078 0.000 2.354 338 L HA 0.557 4.897 4.340 -0.000 0.000 0.269 338 L C -1.666 175.222 176.870 0.030 0.000 1.005 338 L CA -2.148 52.718 54.840 0.044 0.000 0.819 338 L CB 2.062 44.171 42.059 0.083 0.000 1.311 338 L HN 0.473 nan 8.230 nan 0.000 0.423 339 P HA 0.070 nan 4.420 nan 0.000 0.275 339 P C 0.085 177.390 177.300 0.007 0.000 1.266 339 P CA -0.318 62.780 63.100 -0.003 0.000 0.793 339 P CB 1.150 32.828 31.700 -0.036 0.000 1.074 340 E N 0.044 120.247 120.200 0.007 0.000 2.077 340 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 340 E C 0.673 177.277 176.600 0.006 0.000 0.989 340 E CA 1.445 57.851 56.400 0.010 0.000 0.800 340 E CB 0.068 29.773 29.700 0.009 0.000 0.746 340 E HN 0.671 nan 8.360 nan 0.000 0.452 341 E N -2.228 117.967 120.200 -0.009 0.000 2.450 341 E HA 0.613 4.962 4.350 -0.000 0.000 0.272 341 E C -0.611 175.958 176.600 -0.051 0.000 0.967 341 E CA -0.987 55.402 56.400 -0.018 0.000 0.818 341 E CB 1.814 31.508 29.700 -0.010 0.000 1.401 341 E HN 0.193 nan 8.360 nan 0.000 0.450 342 G N 0.095 108.852 108.800 -0.072 0.000 2.535 342 G HA2 0.164 4.124 3.960 -0.000 0.000 0.662 342 G HA3 0.164 4.124 3.960 -0.000 0.000 0.662 342 G C -1.770 173.013 174.900 -0.195 0.000 1.417 342 G CA -0.655 44.369 45.100 -0.126 0.000 0.866 342 G HN 0.460 nan 8.290 nan 0.000 0.647 343 L N 2.400 123.457 121.223 -0.277 0.000 2.325 343 L HA 0.754 5.094 4.340 -0.000 0.000 0.284 343 L C 0.085 176.590 176.870 -0.608 0.000 1.089 343 L CA -0.339 54.209 54.840 -0.487 0.000 0.836 343 L CB 0.041 41.768 42.059 -0.553 0.000 1.184 343 L HN 0.426 nan 8.230 nan 0.000 0.444 344 I N 5.018 125.206 120.570 -0.637 0.000 2.509 344 I HA 0.371 4.541 4.170 -0.000 0.000 0.293 344 I C -0.955 174.713 176.117 -0.750 0.000 1.020 344 I CA -0.469 60.450 61.300 -0.635 0.000 1.088 344 I CB 1.583 39.242 38.000 -0.569 0.000 1.267 344 I HN 0.318 nan 8.210 nan 0.000 0.430 345 F N 5.111 124.886 119.950 -0.291 0.000 2.436 345 F HA 0.508 5.035 4.527 -0.000 0.000 0.340 345 F C -0.255 175.566 175.800 0.036 0.000 1.113 345 F CA -0.665 57.268 58.000 -0.113 0.000 1.022 345 F CB 0.944 39.800 39.000 -0.241 0.000 1.128 345 F HN 0.109 nan 8.300 nan 0.000 0.466 346 F N 1.492 121.759 119.950 0.529 0.000 2.397 346 F HA 0.657 5.184 4.527 -0.000 0.000 0.331 346 F C 0.726 176.617 175.800 0.151 0.000 1.090 346 F CA -0.187 57.932 58.000 0.199 0.000 1.065 346 F CB 1.315 40.315 39.000 -0.001 0.000 1.184 346 F HN 0.591 nan 8.300 nan 0.000 0.499 347 A N 1.688 124.641 122.820 0.221 0.000 1.873 347 A HA 0.529 4.848 4.320 -0.000 0.000 0.188 347 A C 1.144 178.751 177.584 0.038 0.000 2.054 347 A CA 0.328 52.442 52.037 0.129 0.000 1.506 347 A CB -0.838 18.260 19.000 0.164 0.000 1.084 347 A HN 0.777 nan 8.150 nan 0.000 0.620 348 G N 1.351 110.138 108.800 -0.021 0.000 3.102 348 G HA2 0.481 4.440 3.960 -0.000 0.000 0.264 348 G HA3 0.481 4.440 3.960 -0.000 0.000 0.264 348 G C -0.097 174.753 174.900 -0.083 0.000 0.788 348 G CA 0.677 45.741 45.100 -0.060 0.000 2.029 348 G HN 1.376 nan 8.290 nan 0.000 0.608 349 V N -1.274 118.616 119.914 -0.040 0.000 2.735 349 V HA 0.968 5.088 4.120 -0.000 0.000 0.310 349 V C -0.160 175.896 176.094 -0.062 0.000 1.061 349 V CA -0.983 61.289 62.300 -0.047 0.000 0.913 349 V CB 1.565 33.416 31.823 0.047 0.000 1.005 349 V HN 0.694 nan 8.190 nan 0.000 0.428 350 A N 2.999 125.777 122.820 -0.068 0.000 2.479 350 A HA 0.921 5.240 4.320 -0.000 0.000 0.296 350 A C -0.683 176.862 177.584 -0.066 0.000 1.121 350 A CA -0.862 51.135 52.037 -0.066 0.000 0.743 350 A CB 1.672 20.641 19.000 -0.051 0.000 1.323 350 A HN 0.956 nan 8.150 nan 0.000 0.415 351 E N 0.661 120.823 120.200 -0.065 0.000 2.175 351 E HA 0.556 4.906 4.350 -0.000 0.000 0.278 351 E C -0.679 175.897 176.600 -0.040 0.000 0.969 351 E CA -0.413 55.953 56.400 -0.056 0.000 0.796 351 E CB 1.621 31.282 29.700 -0.066 0.000 1.104 351 E HN 0.474 nan 8.360 nan 0.000 0.395 352 K N 2.698 123.080 120.400 -0.031 0.000 2.550 352 K HA 0.121 4.441 4.320 -0.000 0.000 0.252 352 K C -1.302 175.289 176.600 -0.016 0.000 0.943 352 K CA -0.525 55.750 56.287 -0.021 0.000 0.806 352 K CB 1.052 33.542 32.500 -0.017 0.000 1.289 352 K HN 0.446 nan 8.250 nan 0.000 0.435 353 D N 3.068 123.460 120.400 -0.013 0.000 2.708 353 D HA -0.184 4.456 4.640 -0.000 0.000 0.236 353 D C 0.590 176.884 176.300 -0.010 0.000 1.146 353 D CA 1.927 55.921 54.000 -0.009 0.000 0.662 353 D CB -1.138 39.659 40.800 -0.005 0.000 1.059 353 D HN 1.118 nan 8.370 nan 0.000 0.428 354 G N -0.711 108.080 108.800 -0.016 0.000 2.155 354 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.257 354 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.257 354 G C 0.371 175.261 174.900 -0.016 0.000 0.983 354 G CA 1.140 46.230 45.100 -0.017 0.000 0.676 354 G HN 0.535 nan 8.290 nan 0.000 0.528 355 K N -1.314 119.077 120.400 -0.017 0.000 2.352 355 K HA 0.784 5.103 4.320 -0.000 0.000 0.240 355 K C -0.685 175.902 176.600 -0.021 0.000 1.017 355 K CA -1.166 55.114 56.287 -0.012 0.000 0.851 355 K CB 1.576 34.075 32.500 -0.002 0.000 1.261 355 K HN 0.070 nan 8.250 nan 0.000 0.451 356 L N 2.430 123.645 121.223 -0.013 0.000 2.275 356 L HA 0.477 4.817 4.340 -0.000 0.000 0.288 356 L C -1.125 175.731 176.870 -0.022 0.000 1.046 356 L CA -0.361 54.467 54.840 -0.020 0.000 0.805 356 L CB 1.228 43.290 42.059 0.004 0.000 1.193 356 L HN 0.425 nan 8.230 nan 0.000 0.426 357 V N 1.303 121.189 119.914 -0.046 0.000 2.962 357 V HA 0.768 4.888 4.120 -0.000 0.000 0.313 357 V C 0.048 176.070 176.094 -0.120 0.000 1.099 357 V CA -0.264 61.998 62.300 -0.063 0.000 0.971 357 V CB 1.578 33.378 31.823 -0.037 0.000 1.028 357 V HN 0.874 nan 8.190 nan 0.000 0.430 358 T N 0.551 114.996 114.554 -0.181 0.000 2.918 358 T HA 0.439 4.788 4.350 -0.000 0.000 0.302 358 T C 0.133 174.754 174.700 -0.132 0.000 1.045 358 T CA 0.391 62.340 62.100 -0.253 0.000 1.114 358 T CB 0.592 69.248 68.868 -0.353 0.000 0.965 358 T HN 1.282 nan 8.240 nan 0.000 0.540 359 N N 0.362 118.990 118.700 -0.120 0.000 2.609 359 N HA 0.383 5.123 4.740 -0.000 0.000 0.251 359 N C -0.518 174.961 175.510 -0.052 0.000 1.526 359 N CA 0.227 53.238 53.050 -0.065 0.000 0.931 359 N CB 0.457 38.911 38.487 -0.054 0.000 1.460 359 N HN 1.289 nan 8.380 nan 0.000 0.526 360 G N -1.820 106.947 108.800 -0.055 0.000 2.340 360 G HA2 0.362 4.321 3.960 -0.000 0.000 0.300 360 G HA3 0.362 4.321 3.960 -0.000 0.000 0.300 360 G C 0.620 175.481 174.900 -0.066 0.000 1.488 360 G CA -0.174 44.902 45.100 -0.041 0.000 0.878 360 G HN 0.230 nan 8.290 nan 0.000 0.618 361 G N -0.396 108.372 108.800 -0.052 0.000 2.480 361 G HA2 -0.007 3.952 3.960 -0.000 0.000 0.216 361 G HA3 -0.007 3.952 3.960 -0.000 0.000 0.216 361 G C 0.774 175.354 174.900 -0.533 0.000 1.200 361 G CA 0.647 45.650 45.100 -0.162 0.000 0.782 361 G HN 0.667 nan 8.290 nan 0.000 0.554 362 R N -0.037 120.144 120.500 -0.533 0.000 2.229 362 R HA 0.432 4.772 4.340 -0.000 0.000 0.328 362 R C 0.454 176.597 176.300 -0.262 0.000 1.009 362 R CA -0.535 55.296 56.100 -0.449 0.000 0.864 362 R CB 2.118 32.179 30.300 -0.398 0.000 1.085 362 R HN 0.113 nan 8.270 nan 0.000 0.453 363 V N 3.789 123.552 119.914 -0.252 0.000 2.490 363 V HA 0.139 4.259 4.120 -0.000 0.000 0.238 363 V C 0.650 176.619 176.094 -0.210 0.000 1.056 363 V CA 0.811 62.961 62.300 -0.250 0.000 1.075 363 V CB 0.062 31.616 31.823 -0.448 0.000 0.746 363 V HN 0.515 nan 8.190 nan 0.000 0.479 364 L N -0.433 120.640 121.223 -0.249 0.000 2.354 364 L HA 0.573 4.913 4.340 -0.000 0.000 0.264 364 L C -0.882 175.749 176.870 -0.398 0.000 1.008 364 L CA -0.608 54.062 54.840 -0.284 0.000 0.819 364 L CB 2.131 44.020 42.059 -0.284 0.000 1.339 364 L HN 0.231 nan 8.230 nan 0.000 0.420 365 H N 0.673 119.642 119.070 -0.168 0.000 2.595 365 H HA 0.316 4.872 4.556 -0.000 0.000 0.313 365 H C -0.790 174.402 175.328 -0.226 0.000 1.023 365 H CA -0.549 55.429 56.048 -0.117 0.000 1.218 365 H CB 1.615 31.393 29.762 0.026 0.000 1.403 365 H HN 0.587 nan 8.280 nan 0.000 0.477 369 T N -1.784 112.783 114.554 0.021 0.000 2.909 369 T HA 0.956 5.305 4.350 -0.000 0.000 0.299 369 T C 0.122 174.871 174.700 0.081 0.000 1.073 369 T CA -0.102 62.041 62.100 0.071 0.000 0.999 369 T CB 2.214 71.116 68.868 0.057 0.000 1.098 369 T HN 2.192 nan 8.240 nan 0.000 0.477 370 G N 0.327 109.209 108.800 0.137 0.000 2.495 370 G HA2 0.461 4.421 3.960 -0.000 0.000 0.294 370 G HA3 0.461 4.421 3.960 -0.000 0.000 0.294 370 G C -0.270 174.760 174.900 0.217 0.000 1.397 370 G CA -0.765 44.413 45.100 0.128 0.000 0.790 370 G HN 0.644 nan 8.290 nan 0.000 0.486 371 E N -0.945 119.362 120.200 0.178 0.000 2.285 371 E HA 0.057 4.406 4.350 -0.000 0.000 0.194 371 E C 1.321 178.127 176.600 0.344 0.000 0.997 371 E CA 1.271 57.813 56.400 0.237 0.000 0.845 371 E CB 0.222 30.004 29.700 0.138 0.000 0.782 371 E HN 0.586 nan 8.360 nan 0.000 0.491 372 T N -2.435 112.191 114.554 0.120 0.000 2.940 372 T HA 0.271 4.621 4.350 -0.000 0.000 0.288 372 T C 0.704 175.050 174.700 -0.588 0.000 1.045 372 T CA -0.899 61.057 62.100 -0.240 0.000 1.018 372 T CB 2.236 70.990 68.868 -0.190 0.000 1.151 372 T HN -0.148 nan 8.240 nan 0.000 0.529 373 K N -0.016 119.691 120.400 -1.155 0.000 2.097 373 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 373 K C 1.983 178.324 176.600 -0.431 0.000 1.050 373 K CA 1.521 57.279 56.287 -0.881 0.000 0.938 373 K CB -0.157 31.738 32.500 -1.008 0.000 0.718 373 K HN 0.633 nan 8.250 nan 0.000 0.442 374 E N 1.162 121.155 120.200 -0.345 0.000 2.152 374 E HA -0.175 4.174 4.350 -0.000 0.000 0.192 374 E C 1.699 178.229 176.600 -0.117 0.000 0.983 374 E CA 1.322 57.600 56.400 -0.202 0.000 0.818 374 E CB 0.028 29.627 29.700 -0.168 0.000 0.758 374 E HN 0.466 nan 8.360 nan 0.000 0.467 375 E N -0.317 119.821 120.200 -0.103 0.000 2.028 375 E HA -0.162 4.187 4.350 -0.000 0.000 0.191 375 E C 1.975 178.566 176.600 -0.014 0.000 0.988 375 E CA 1.023 57.400 56.400 -0.039 0.000 0.799 375 E CB -0.254 29.439 29.700 -0.012 0.000 0.755 375 E HN 0.277 nan 8.360 nan 0.000 0.447 376 A N 1.874 124.693 122.820 -0.002 0.000 1.927 376 A HA -0.267 4.052 4.320 -0.000 0.000 0.220 376 A C 2.258 179.846 177.584 0.007 0.000 1.185 376 A CA 1.862 53.919 52.037 0.033 0.000 0.639 376 A CB -0.712 18.354 19.000 0.109 0.000 0.820 376 A HN 0.253 nan 8.150 nan 0.000 0.451 377 R N -0.805 119.685 120.500 -0.018 0.000 2.062 377 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 377 R C 2.484 178.861 176.300 0.129 0.000 1.136 377 R CA 1.542 57.669 56.100 0.045 0.000 0.948 377 R CB -0.297 30.008 30.300 0.007 0.000 0.845 377 R HN 0.527 nan 8.270 nan 0.000 0.430 378 R N 0.429 120.970 120.500 0.068 0.000 2.083 378 R HA -0.128 4.212 4.340 -0.000 0.000 0.237 378 R C 2.436 178.769 176.300 0.054 0.000 1.137 378 R CA 1.887 58.032 56.100 0.074 0.000 0.951 378 R CB -0.084 30.227 30.300 0.018 0.000 0.851 378 R HN 0.206 nan 8.270 nan 0.000 0.434 379 K N -0.107 120.301 120.400 0.013 0.000 2.032 379 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 379 K C 2.153 178.719 176.600 -0.056 0.000 1.048 379 K CA 1.493 57.769 56.287 -0.018 0.000 0.927 379 K CB -0.259 32.228 32.500 -0.021 0.000 0.712 379 K HN 0.176 nan 8.250 nan 0.000 0.441 380 A N 0.850 123.618 122.820 -0.086 0.000 1.865 380 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 380 A C 2.057 179.486 177.584 -0.259 0.000 1.191 380 A CA 1.556 53.470 52.037 -0.205 0.000 0.623 380 A CB -0.894 17.938 19.000 -0.280 0.000 0.826 380 A HN 0.289 nan 8.150 nan 0.000 0.444 381 Y N -0.124 120.135 120.300 -0.067 0.000 2.200 381 Y HA -0.113 4.436 4.550 -0.000 0.000 0.290 381 Y C 2.460 178.306 175.900 -0.090 0.000 1.137 381 Y CA 1.563 59.622 58.100 -0.067 0.000 1.163 381 Y CB -0.429 38.019 38.460 -0.021 0.000 0.988 381 Y HN 0.431 nan 8.280 nan 0.000 0.518 382 E N -0.364 119.877 120.200 0.068 0.000 2.130 382 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 382 E C 1.986 178.548 176.600 -0.062 0.000 0.998 382 E CA 1.393 57.795 56.400 0.003 0.000 0.806 382 E CB -0.346 29.353 29.700 -0.001 0.000 0.738 382 E HN 0.262 nan 8.360 nan 0.000 0.459 383 L N 0.459 121.620 121.223 -0.104 0.000 2.072 383 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 383 L C 2.106 178.843 176.870 -0.223 0.000 1.079 383 L CA 1.879 56.624 54.840 -0.158 0.000 0.752 383 L CB -0.617 41.335 42.059 -0.178 0.000 0.906 383 L HN 0.036 nan 8.230 nan 0.000 0.436 384 A N -0.874 121.791 122.820 -0.257 0.000 1.969 384 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 384 A C 2.093 179.429 177.584 -0.413 0.000 1.169 384 A CA 1.548 53.359 52.037 -0.375 0.000 0.635 384 A CB -0.520 18.197 19.000 -0.472 0.000 0.810 384 A HN 0.608 nan 8.150 nan 0.000 0.445 385 E N -0.133 119.910 120.200 -0.263 0.000 2.204 385 E HA -0.113 4.236 4.350 -0.000 0.000 0.194 385 E C 1.636 178.045 176.600 -0.319 0.000 0.989 385 E CA 0.950 57.227 56.400 -0.207 0.000 0.824 385 E CB -0.076 29.597 29.700 -0.046 0.000 0.756 385 E HN 0.529 nan 8.360 nan 0.000 0.477 386 K N 0.532 120.751 120.400 -0.301 0.000 2.418 386 K HA 0.064 4.384 4.320 -0.000 0.000 0.195 386 K C -0.063 176.229 176.600 -0.514 0.000 1.035 386 K CA 0.209 56.329 56.287 -0.278 0.000 1.003 386 K CB 0.682 33.103 32.500 -0.131 0.000 0.793 386 K HN -0.064 nan 8.250 nan 0.000 0.494 387 V N 2.523 122.057 119.914 -0.633 0.000 2.398 387 V HA 0.193 4.313 4.120 -0.000 0.000 0.286 387 V C -0.435 175.311 176.094 -0.581 0.000 1.026 387 V CA -0.741 61.295 62.300 -0.439 0.000 0.868 387 V CB 1.308 32.974 31.823 -0.261 0.000 0.982 387 V HN 0.201 nan 8.190 nan 0.000 0.443 388 H N 5.279 124.352 119.070 0.005 0.000 2.679 388 H HA 0.677 5.233 4.556 -0.000 0.000 0.360 388 H C -0.950 174.465 175.328 0.145 0.000 1.105 388 H CA -0.409 55.627 56.048 -0.020 0.000 1.196 388 H CB 2.307 32.056 29.762 -0.021 0.000 1.636 388 H HN 0.667 nan 8.280 nan 0.000 0.531 389 F N -1.368 118.637 119.950 0.091 0.000 2.693 389 F HA 0.398 4.924 4.527 -0.000 0.000 0.309 389 F C -0.541 175.289 175.800 0.051 0.000 1.129 389 F CA -1.230 56.802 58.000 0.054 0.000 0.948 389 F CB 1.277 40.290 39.000 0.022 0.000 1.315 389 F HN 0.318 nan 8.300 nan 0.000 0.447 390 E N 0.641 120.961 120.200 0.200 0.000 2.373 390 E HA 0.443 4.793 4.350 -0.000 0.000 0.267 390 E C 0.926 177.568 176.600 0.070 0.000 1.032 390 E CA 0.997 57.445 56.400 0.079 0.000 0.889 390 E CB 0.813 30.570 29.700 0.094 0.000 0.984 390 E HN 1.332 nan 8.360 nan 0.000 0.425 391 G N 3.895 112.689 108.800 -0.009 0.000 2.160 391 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.251 391 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.251 391 G C 0.119 174.962 174.900 -0.095 0.000 1.008 391 G CA 0.599 45.701 45.100 0.003 0.000 0.724 391 G HN 0.535 nan 8.290 nan 0.000 0.514 392 K N 0.999 121.185 120.400 -0.356 0.000 2.402 392 K HA 0.357 4.677 4.320 -0.000 0.000 0.285 392 K C -0.405 176.104 176.600 -0.151 0.000 1.054 392 K CA 0.431 56.309 56.287 -0.681 0.000 1.001 392 K CB 0.101 32.044 32.500 -0.928 0.000 0.946 392 K HN 0.074 nan 8.250 nan 0.000 0.473 393 T N 5.780 120.326 114.554 -0.013 0.000 2.786 393 T HA 0.367 4.717 4.350 -0.000 0.000 0.283 393 T C -1.357 173.486 174.700 0.238 0.000 0.992 393 T CA -0.541 61.635 62.100 0.127 0.000 0.954 393 T CB 0.292 69.237 68.868 0.127 0.000 0.934 393 T HN 0.594 nan 8.240 nan 0.000 0.440 394 Y N 0.306 120.601 120.300 -0.009 0.000 2.609 394 Y HA 0.689 5.239 4.550 -0.000 0.000 0.336 394 Y C -1.056 174.867 175.900 0.038 0.000 1.129 394 Y CA -1.781 56.326 58.100 0.011 0.000 1.040 394 Y CB 1.163 39.618 38.460 -0.009 0.000 1.310 394 Y HN 0.352 nan 8.280 nan 0.000 0.460 395 R N 1.645 122.188 120.500 0.072 0.000 2.254 395 R HA 0.431 4.771 4.340 -0.000 0.000 0.318 395 R C 0.012 176.360 176.300 0.080 0.000 1.031 395 R CA -0.744 55.348 56.100 -0.014 0.000 0.905 395 R CB 1.191 31.503 30.300 0.021 0.000 1.050 395 R HN 0.816 nan 8.270 nan 0.000 0.456 396 R N 0.703 121.135 120.500 -0.112 0.000 2.310 396 R HA -0.018 4.321 4.340 -0.000 0.000 0.202 396 R C 0.964 177.143 176.300 -0.202 0.000 0.933 396 R CA 0.104 56.088 56.100 -0.193 0.000 1.054 396 R CB 0.076 30.187 30.300 -0.315 0.000 0.985 396 R HN 0.572 nan 8.270 nan 0.000 0.489 397 D N 0.749 121.103 120.400 -0.077 0.000 2.221 397 D HA -0.112 4.528 4.640 -0.000 0.000 0.204 397 D C 0.413 176.673 176.300 -0.068 0.000 0.982 397 D CA 0.735 54.702 54.000 -0.055 0.000 0.857 397 D CB 0.197 40.982 40.800 -0.025 0.000 0.934 397 D HN 0.055 nan 8.370 nan 0.000 0.475 398 I N 1.356 121.905 120.570 -0.036 0.000 2.618 398 I HA 0.127 4.296 4.170 -0.000 0.000 0.284 398 I C 1.276 177.395 176.117 0.004 0.000 1.146 398 I CA 0.014 61.180 61.300 -0.223 0.000 1.425 398 I CB -0.470 37.434 38.000 -0.160 0.000 1.383 398 I HN 0.062 nan 8.210 nan 0.000 0.562 399 A N 0.000 122.851 122.820 0.051 0.000 2.254 399 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 399 A CA 0.000 51.885 52.037 -0.254 0.000 0.836 399 A CB 0.000 18.733 19.000 -0.445 0.000 0.831 399 A HN 0.000 nan 8.150 nan 0.000 0.486