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 1nwr_1_C DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAQPGKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.890 175.900 -0.017 0.000 1.272 22 Y CA 0.000 58.096 58.100 -0.007 0.000 1.940 22 Y CB 0.000 38.455 38.460 -0.008 0.000 1.050 23 K N 1.172 121.646 120.400 0.123 0.000 2.144 23 K HA 0.579 4.899 4.320 0.000 0.000 0.270 23 K C -1.377 175.207 176.600 -0.026 0.000 1.005 23 K CA -0.682 55.586 56.287 -0.032 0.000 0.932 23 K CB 1.180 33.493 32.500 -0.311 0.000 1.021 23 K HN 0.401 nan 8.250 nan 0.000 0.462 24 L N 3.748 124.966 121.223 -0.008 0.000 2.470 24 L HA 0.222 4.563 4.340 0.000 0.000 0.253 24 L C -1.344 175.525 176.870 -0.002 0.000 1.163 24 L CA -0.567 54.280 54.840 0.010 0.000 0.932 24 L CB 1.217 43.305 42.059 0.049 0.000 1.213 24 L HN 0.277 nan 8.230 nan 0.000 0.485 25 V N 3.055 122.922 119.914 -0.077 0.000 2.439 25 V HA 0.226 4.346 4.120 0.000 0.000 0.271 25 V C 0.183 176.307 176.094 0.049 0.000 1.040 25 V CA -0.137 62.128 62.300 -0.059 0.000 1.002 25 V CB 0.362 32.114 31.823 -0.119 0.000 1.000 25 V HN 0.775 nan 8.190 nan 0.000 0.477 26 c N 5.465 124.072 118.600 0.012 0.000 2.379 26 c HA 0.615 5.185 4.570 0.000 0.000 0.323 26 c C -0.207 173.841 174.090 -0.069 0.000 1.262 26 c CA -1.205 55.145 56.329 0.035 0.000 1.581 26 c CB 0.469 42.988 42.510 0.014 0.000 2.221 26 c HN 0.748 nan 8.230 nan 0.000 0.497 27 Y N 1.082 121.335 120.300 -0.079 0.000 2.334 27 Y HA 0.477 5.028 4.550 0.000 0.000 0.328 27 Y C -0.094 175.567 175.900 -0.398 0.000 1.130 27 Y CA -0.045 57.885 58.100 -0.283 0.000 1.163 27 Y CB 0.833 38.938 38.460 -0.591 0.000 1.207 27 Y HN 0.710 nan 8.280 nan 0.000 0.471 28 Y N 2.470 122.541 120.300 -0.383 0.000 2.350 28 Y HA 0.448 4.998 4.550 0.000 0.000 0.338 28 Y C -0.588 174.832 175.900 -0.800 0.000 0.961 28 Y CA -1.281 56.515 58.100 -0.507 0.000 1.100 28 Y CB 1.295 39.553 38.460 -0.336 0.000 1.179 28 Y HN 0.619 nan 8.280 nan 0.000 0.454 29 T N 1.785 115.220 114.554 -1.865 0.000 2.743 29 T HA 0.244 4.594 4.350 0.000 0.000 0.292 29 T C 1.100 174.526 174.700 -2.124 0.000 0.972 29 T CA -0.064 60.780 62.100 -2.094 0.000 0.967 29 T CB 1.170 68.452 68.868 -2.643 0.000 0.926 29 T HN 0.799 nan 8.240 nan 0.000 0.459 30 S N 2.805 117.627 115.700 -1.464 0.000 2.392 30 S HA -0.213 4.257 4.470 0.000 0.000 0.232 30 S C 1.651 175.877 174.600 -0.624 0.000 1.041 30 S CA 1.336 59.039 58.200 -0.829 0.000 1.026 30 S CB -1.138 61.873 63.200 -0.315 0.000 0.845 30 S HN 1.025 nan 8.310 nan 0.000 0.465 31 W N 2.811 123.846 121.300 -0.442 0.000 2.825 31 W HA 0.232 4.892 4.660 0.000 0.000 0.243 31 W C 1.918 178.232 176.519 -0.341 0.000 1.293 31 W CA 0.405 57.579 57.345 -0.285 0.000 1.403 31 W CB -0.963 28.498 29.460 0.001 0.000 1.134 31 W HN 0.381 nan 8.180 nan 0.000 0.666 32 S N 1.007 116.202 115.700 -0.842 0.000 2.507 32 S HA -0.275 4.195 4.470 0.000 0.000 0.235 32 S C 1.786 176.137 174.600 -0.415 0.000 0.988 32 S CA 1.093 58.941 58.200 -0.586 0.000 0.944 32 S CB -0.818 61.911 63.200 -0.785 0.000 0.762 32 S HN 0.733 nan 8.310 nan 0.000 0.526 33 Q N -0.049 119.362 119.800 -0.649 0.000 2.167 33 Q HA -0.112 4.229 4.340 0.000 0.000 0.202 33 Q C 1.148 176.998 176.000 -0.249 0.000 0.970 33 Q CA 1.213 56.532 55.803 -0.806 0.000 0.855 33 Q CB -0.792 27.087 28.738 -1.430 0.000 0.911 33 Q HN 0.647 nan 8.270 nan 0.000 0.438 34 Y N 1.176 121.509 120.300 0.055 0.000 2.583 34 Y HA 0.190 4.740 4.550 0.000 0.000 0.293 34 Y C 0.434 176.451 175.900 0.195 0.000 1.157 34 Y CA -0.306 57.899 58.100 0.175 0.000 1.315 34 Y CB -0.146 38.435 38.460 0.202 0.000 1.021 34 Y HN -0.005 nan 8.280 nan 0.000 0.536 35 R N 1.827 122.511 120.500 0.308 0.000 2.489 35 R HA 0.053 4.393 4.340 0.000 0.000 0.287 35 R C 0.313 176.829 176.300 0.360 0.000 1.053 35 R CA -0.130 56.168 56.100 0.331 0.000 1.036 35 R CB 0.342 30.840 30.300 0.331 0.000 0.966 35 R HN 0.337 nan 8.270 nan 0.000 0.432 36 E N 1.226 121.638 120.200 0.354 0.000 2.459 36 E HA -0.058 4.292 4.350 0.000 0.000 0.264 36 E C 1.122 177.983 176.600 0.434 0.000 1.055 36 E CA 0.637 57.234 56.400 0.329 0.000 0.957 36 E CB 0.312 30.146 29.700 0.225 0.000 0.952 36 E HN 0.769 nan 8.360 nan 0.000 0.448 37 G N 3.156 112.155 108.800 0.332 0.000 2.632 37 G HA2 -0.404 3.556 3.960 0.000 0.000 0.322 37 G HA3 -0.404 3.556 3.960 0.000 0.000 0.322 37 G C 0.478 175.538 174.900 0.267 0.000 1.326 37 G CA 0.513 45.802 45.100 0.315 0.000 0.986 37 G HN 0.767 nan 8.290 nan 0.000 0.541 38 D N 1.385 121.896 120.400 0.185 0.000 2.354 38 D HA -0.039 4.601 4.640 0.000 0.000 0.216 38 D C 2.314 178.546 176.300 -0.114 0.000 0.970 38 D CA 1.486 55.473 54.000 -0.022 0.000 0.905 38 D CB -0.750 39.961 40.800 -0.149 0.000 0.903 38 D HN 0.607 nan 8.370 nan 0.000 0.508 39 G N 0.633 109.412 108.800 -0.034 0.000 2.408 39 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 39 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 39 G C 0.880 175.974 174.900 0.325 0.000 1.150 39 G CA 0.181 45.310 45.100 0.049 0.000 0.776 39 G HN 0.292 nan 8.290 nan 0.000 0.542 40 S N -0.614 115.283 115.700 0.328 0.000 2.563 40 S HA 0.173 4.643 4.470 0.000 0.000 0.294 40 S C -0.173 174.619 174.600 0.319 0.000 1.279 40 S CA -0.161 58.219 58.200 0.300 0.000 1.069 40 S CB -0.073 63.360 63.200 0.388 0.000 0.828 40 S HN 0.474 nan 8.310 nan 0.000 0.497 41 C N 7.172 126.481 119.300 0.015 0.000 2.481 41 C HA 0.800 5.260 4.460 0.000 0.000 0.324 41 C C -1.255 173.693 174.990 -0.070 0.000 1.170 41 C CA -0.836 58.097 59.018 -0.141 0.000 1.361 41 C CB -0.440 26.790 27.740 -0.850 0.000 1.977 41 C HN 0.837 nan 8.230 nan 0.000 0.459 42 F N 4.998 124.944 119.950 -0.007 0.000 2.556 42 F HA 0.517 5.044 4.527 0.000 0.000 0.327 42 F C -1.520 174.092 175.800 -0.313 0.000 1.059 42 F CA -2.076 55.883 58.000 -0.067 0.000 0.953 42 F CB 1.325 40.313 39.000 -0.020 0.000 1.227 42 F HN 0.333 nan 8.300 nan 0.000 0.478 43 P HA -0.200 nan 4.420 nan 0.000 0.217 43 P C 0.990 178.188 177.300 -0.171 0.000 1.148 43 P CA 1.702 64.503 63.100 -0.499 0.000 0.828 43 P CB 0.038 31.525 31.700 -0.355 0.000 0.783 44 D N -0.743 119.635 120.400 -0.036 0.000 2.392 44 D HA -0.062 4.579 4.640 0.000 0.000 0.228 44 D C 1.114 177.444 176.300 0.051 0.000 1.003 44 D CA 0.624 54.621 54.000 -0.004 0.000 0.917 44 D CB -0.428 40.372 40.800 -0.000 0.000 0.890 44 D HN 0.129 nan 8.370 nan 0.000 0.532 45 A N 0.229 123.107 122.820 0.097 0.000 2.387 45 A HA 0.325 4.645 4.320 0.000 0.000 0.234 45 A C 0.766 178.538 177.584 0.313 0.000 1.253 45 A CA -0.440 51.730 52.037 0.223 0.000 0.894 45 A CB -0.058 19.140 19.000 0.330 0.000 0.963 45 A HN 0.210 nan 8.150 nan 0.000 0.508 46 L N 0.653 121.956 121.223 0.135 0.000 2.295 46 L HA 0.309 4.649 4.340 0.000 0.000 0.285 46 L C -0.471 176.351 176.870 -0.080 0.000 1.035 46 L CA -0.920 53.943 54.840 0.038 0.000 0.806 46 L CB 1.397 43.390 42.059 -0.110 0.000 1.214 46 L HN 0.161 nan 8.230 nan 0.000 0.426 47 D N 2.611 122.874 120.400 -0.228 0.000 2.349 47 D HA 0.007 4.647 4.640 0.000 0.000 0.266 47 D C 1.448 177.639 176.300 -0.183 0.000 1.293 47 D CA -0.199 53.719 54.000 -0.135 0.000 0.926 47 D CB 0.848 41.568 40.800 -0.133 0.000 1.090 47 D HN 0.516 nan 8.370 nan 0.000 0.502 48 R N 2.603 122.987 120.500 -0.194 0.000 2.200 48 R HA -0.157 4.183 4.340 0.000 0.000 0.234 48 R C 0.983 177.011 176.300 -0.454 0.000 1.127 48 R CA 1.235 57.117 56.100 -0.363 0.000 0.989 48 R CB -0.464 29.531 30.300 -0.508 0.000 0.869 48 R HN 0.355 nan 8.270 nan 0.000 0.459 49 F N 0.174 120.076 119.950 -0.080 0.000 2.698 49 F HA 0.158 4.685 4.527 0.000 0.000 0.295 49 F C 1.834 177.593 175.800 -0.068 0.000 1.124 49 F CA -0.295 57.668 58.000 -0.061 0.000 1.426 49 F CB -0.123 38.853 39.000 -0.039 0.000 1.120 49 F HN -0.056 nan 8.300 nan 0.000 0.583 50 L N -0.246 120.991 121.223 0.023 0.000 1.970 50 L HA -0.157 4.183 4.340 0.000 0.000 0.212 50 L C 0.944 177.797 176.870 -0.028 0.000 1.071 50 L CA 1.426 56.240 54.840 -0.043 0.000 0.751 50 L CB -0.392 41.528 42.059 -0.232 0.000 0.889 50 L HN 0.095 nan 8.230 nan 0.000 0.432 51 c N -2.079 116.485 118.600 -0.061 0.000 2.423 51 c HA 0.506 5.076 4.570 0.000 0.000 0.378 51 c C 1.948 176.037 174.090 -0.002 0.000 1.244 51 c CA 0.012 56.330 56.329 -0.019 0.000 1.978 51 c CB 1.268 43.759 42.510 -0.032 0.000 2.252 51 c HN 0.610 nan 8.230 nan 0.000 0.526 52 T N -2.250 112.341 114.554 0.061 0.000 3.039 52 T HA 0.127 4.477 4.350 0.000 0.000 0.250 52 T C 0.098 174.780 174.700 -0.030 0.000 1.052 52 T CA 0.853 62.989 62.100 0.061 0.000 1.125 52 T CB -0.200 68.791 68.868 0.204 0.000 0.908 52 T HN 0.761 nan 8.240 nan 0.000 0.473 53 H N -0.083 118.950 119.070 -0.063 0.000 2.667 53 H HA 0.668 5.224 4.556 0.000 0.000 0.353 53 H C -1.071 174.223 175.328 -0.056 0.000 1.072 53 H CA -1.074 54.948 56.048 -0.043 0.000 1.214 53 H CB 1.449 31.186 29.762 -0.041 0.000 1.600 53 H HN 0.216 nan 8.280 nan 0.000 0.527 54 I N 4.389 124.994 120.570 0.058 0.000 2.418 54 I HA 0.317 4.487 4.170 0.000 0.000 0.287 54 I C -0.417 175.714 176.117 0.023 0.000 1.008 54 I CA -0.463 60.841 61.300 0.007 0.000 1.104 54 I CB 1.387 39.379 38.000 -0.014 0.000 1.264 54 I HN 0.408 nan 8.210 nan 0.000 0.438 55 I N 6.166 126.667 120.570 -0.115 0.000 2.336 55 I HA 0.221 4.391 4.170 0.000 0.000 0.292 55 I C -0.653 175.445 176.117 -0.032 0.000 0.991 55 I CA -0.760 60.447 61.300 -0.155 0.000 1.227 55 I CB 1.223 38.865 38.000 -0.596 0.000 1.366 55 I HN 0.469 nan 8.210 nan 0.000 0.466 56 Y N 5.501 125.790 120.300 -0.019 0.000 2.359 56 Y HA 0.266 4.816 4.550 0.000 0.000 0.334 56 Y C 0.022 175.888 175.900 -0.057 0.000 1.058 56 Y CA 0.290 58.423 58.100 0.055 0.000 1.244 56 Y CB 0.985 39.562 38.460 0.196 0.000 1.187 56 Y HN 0.500 nan 8.280 nan 0.000 0.510 57 S N 6.312 121.706 115.700 -0.510 0.000 2.532 57 S HA 0.639 5.109 4.470 0.000 0.000 0.299 57 S C -1.420 172.840 174.600 -0.566 0.000 1.105 57 S CA -0.524 57.247 58.200 -0.715 0.000 1.018 57 S CB 0.683 63.059 63.200 -1.374 0.000 1.021 57 S HN 0.531 nan 8.310 nan 0.000 0.483 58 F N 0.868 120.862 119.950 0.073 0.000 2.640 58 F HA 0.801 5.328 4.527 0.000 0.000 0.324 58 F C 0.285 176.255 175.800 0.283 0.000 1.077 58 F CA -1.030 57.051 58.000 0.135 0.000 0.965 58 F CB 1.310 40.301 39.000 -0.015 0.000 1.351 58 F HN 0.602 nan 8.300 nan 0.000 0.487 59 A N 1.360 124.501 122.820 0.535 0.000 2.325 59 A HA 0.613 4.934 4.320 0.000 0.000 0.333 59 A C -0.614 177.299 177.584 0.549 0.000 1.155 59 A CA -0.532 51.816 52.037 0.517 0.000 0.814 59 A CB 0.949 20.143 19.000 0.323 0.000 1.206 59 A HN 0.716 nan 8.150 nan 0.000 0.482 60 N N -0.029 119.031 118.700 0.600 0.000 2.476 60 N HA 0.585 5.325 4.740 0.000 0.000 0.287 60 N C -0.895 174.792 175.510 0.296 0.000 1.262 60 N CA -0.436 52.964 53.050 0.584 0.000 0.980 60 N CB 0.526 39.213 38.487 0.333 0.000 1.163 60 N HN 0.488 nan 8.380 nan 0.000 0.592 61 I N 0.641 121.336 120.570 0.207 0.000 2.560 61 I HA 0.180 4.350 4.170 0.000 0.000 0.278 61 I C -0.870 175.208 176.117 -0.065 0.000 1.089 61 I CA -0.399 60.912 61.300 0.018 0.000 1.086 61 I CB 1.401 39.279 38.000 -0.205 0.000 1.202 61 I HN 0.212 nan 8.210 nan 0.000 0.471 62 S N 4.303 119.997 115.700 -0.010 0.000 2.509 62 S HA 0.378 4.848 4.470 0.000 0.000 0.297 62 S C 0.536 175.173 174.600 0.062 0.000 1.118 62 S CA -0.530 57.656 58.200 -0.024 0.000 1.074 62 S CB 1.201 64.385 63.200 -0.026 0.000 1.038 62 S HN 0.704 nan 8.310 nan 0.000 0.498 63 N N 2.537 121.259 118.700 0.036 0.000 2.710 63 N HA -0.171 4.569 4.740 0.000 0.000 0.249 63 N C -0.833 174.785 175.510 0.180 0.000 1.059 63 N CA 1.143 54.259 53.050 0.110 0.000 0.720 63 N CB -1.194 37.383 38.487 0.149 0.000 0.983 63 N HN 0.778 nan 8.380 nan 0.000 0.544 64 D N -2.263 118.157 120.400 0.033 0.000 2.837 64 D HA -0.212 4.428 4.640 0.000 0.000 0.230 64 D C -0.315 175.945 176.300 -0.067 0.000 1.152 64 D CA 1.278 55.252 54.000 -0.044 0.000 0.736 64 D CB -1.682 39.074 40.800 -0.073 0.000 1.084 64 D HN 0.690 nan 8.370 nan 0.000 0.429 65 H N -0.550 118.576 119.070 0.095 0.000 2.589 65 H HA 0.521 5.078 4.556 0.000 0.000 0.351 65 H C 0.276 175.670 175.328 0.109 0.000 1.074 65 H CA -0.851 55.275 56.048 0.130 0.000 1.203 65 H CB 1.548 31.356 29.762 0.077 0.000 1.558 65 H HN 0.096 nan 8.280 nan 0.000 0.522 66 I N 2.709 123.408 120.570 0.215 0.000 2.581 66 I HA 0.001 4.171 4.170 0.000 0.000 0.285 66 I C -0.492 175.393 176.117 -0.386 0.000 1.129 66 I CA 0.739 62.035 61.300 -0.006 0.000 1.397 66 I CB -0.175 37.757 38.000 -0.113 0.000 1.399 66 I HN 0.665 nan 8.210 nan 0.000 0.537 67 D N 4.645 124.924 120.400 -0.201 0.000 2.493 67 D HA 0.425 5.065 4.640 0.000 0.000 0.239 67 D C -0.428 175.932 176.300 0.100 0.000 1.049 67 D CA -0.242 53.703 54.000 -0.092 0.000 1.008 67 D CB 1.686 42.525 40.800 0.064 0.000 1.398 67 D HN 0.582 nan 8.370 nan 0.000 0.513 68 T N -1.560 113.177 114.554 0.306 0.000 2.748 68 T HA 0.038 4.389 4.350 0.000 0.000 0.304 68 T C 0.383 175.295 174.700 0.354 0.000 1.041 68 T CA -0.347 61.984 62.100 0.385 0.000 1.033 68 T CB 0.851 69.862 68.868 0.238 0.000 0.995 68 T HN 0.561 nan 8.240 nan 0.000 0.536 69 W N 0.192 121.636 121.300 0.239 0.000 3.517 69 W HA 0.340 5.000 4.660 0.000 0.000 0.234 69 W C 0.348 177.005 176.519 0.229 0.000 0.972 69 W CA 0.077 57.565 57.345 0.239 0.000 2.002 69 W CB -0.017 29.634 29.460 0.319 0.000 1.018 69 W HN 0.663 nan 8.180 nan 0.000 0.712 70 E N 1.699 122.249 120.200 0.584 0.000 2.343 70 E HA 0.025 4.375 4.350 0.000 0.000 0.269 70 E C 1.415 178.136 176.600 0.202 0.000 1.047 70 E CA -0.169 56.495 56.400 0.441 0.000 0.874 70 E CB 0.196 30.114 29.700 0.363 0.000 1.033 70 E HN 0.215 nan 8.360 nan 0.000 0.409 71 W N 4.560 125.991 121.300 0.217 0.000 2.331 71 W HA -0.203 4.458 4.660 0.000 0.000 0.291 71 W C 0.425 177.016 176.519 0.120 0.000 1.214 71 W CA 1.413 58.844 57.345 0.143 0.000 1.228 71 W CB -0.653 28.891 29.460 0.141 0.000 1.135 71 W HN 0.520 nan 8.180 nan 0.000 0.537 72 N N 0.635 118.675 118.700 -1.100 0.000 2.321 72 N HA -0.034 4.706 4.740 0.000 0.000 0.242 72 N C 0.480 175.669 175.510 -0.534 0.000 1.141 72 N CA 0.107 52.556 53.050 -1.002 0.000 0.864 72 N CB -0.613 36.809 38.487 -1.774 0.000 1.100 72 N HN -0.092 nan 8.380 nan 0.000 0.510 73 D N 0.912 121.070 120.400 -0.404 0.000 2.104 73 D HA -0.114 4.527 4.640 0.000 0.000 0.194 73 D C 1.872 177.555 176.300 -1.029 0.000 0.994 73 D CA 1.013 54.676 54.000 -0.561 0.000 0.830 73 D CB 0.092 40.594 40.800 -0.497 0.000 0.959 73 D HN 0.092 nan 8.370 nan 0.000 0.452 74 V N 1.025 120.473 119.914 -0.776 0.000 2.324 74 V HA -0.281 3.840 4.120 0.000 0.000 0.250 74 V C 2.483 178.401 176.094 -0.295 0.000 1.060 74 V CA 2.112 64.081 62.300 -0.553 0.000 1.042 74 V CB -1.000 30.696 31.823 -0.212 0.000 0.650 74 V HN 0.239 nan 8.190 nan 0.000 0.450 75 T N 0.668 115.074 114.554 -0.247 0.000 2.674 75 T HA -0.109 4.241 4.350 0.000 0.000 0.265 75 T C 1.898 176.536 174.700 -0.102 0.000 1.039 75 T CA 1.626 63.643 62.100 -0.138 0.000 1.150 75 T CB -0.356 68.433 68.868 -0.131 0.000 0.864 75 T HN 0.327 nan 8.240 nan 0.000 0.427 76 L N -0.366 120.791 121.223 -0.111 0.000 2.083 76 L HA -0.110 4.230 4.340 0.000 0.000 0.209 76 L C 2.609 179.479 176.870 -0.001 0.000 1.083 76 L CA 1.266 56.120 54.840 0.023 0.000 0.752 76 L CB -0.794 41.378 42.059 0.189 0.000 0.899 76 L HN 0.221 nan 8.230 nan 0.000 0.433 77 Y N 0.921 121.048 120.300 -0.289 0.000 2.053 77 Y HA -0.204 4.346 4.550 0.000 0.000 0.277 77 Y C 2.667 178.362 175.900 -0.341 0.000 1.159 77 Y CA 1.150 59.002 58.100 -0.413 0.000 1.125 77 Y CB -1.481 36.738 38.460 -0.402 0.000 0.969 77 Y HN 0.119 nan 8.280 nan 0.000 0.492 78 G N -0.700 108.066 108.800 -0.056 0.000 2.446 78 G HA2 -0.316 3.645 3.960 0.000 0.000 0.217 78 G HA3 -0.316 3.645 3.960 0.000 0.000 0.217 78 G C 1.879 176.719 174.900 -0.099 0.000 1.168 78 G CA 1.004 46.043 45.100 -0.100 0.000 0.771 78 G HN 0.379 nan 8.290 nan 0.000 0.551 79 M N -0.330 119.230 119.600 -0.066 0.000 2.144 79 M HA -0.087 4.393 4.480 0.000 0.000 0.260 79 M C 2.316 178.565 176.300 -0.084 0.000 1.067 79 M CA 1.397 56.663 55.300 -0.057 0.000 1.095 79 M CB -0.072 32.519 32.600 -0.014 0.000 1.365 79 M HN 0.317 nan 8.290 nan 0.000 0.406 80 L N 0.617 121.784 121.223 -0.094 0.000 2.034 80 L HA -0.108 4.233 4.340 0.000 0.000 0.203 80 L C 1.773 178.555 176.870 -0.146 0.000 1.074 80 L CA 1.843 56.616 54.840 -0.111 0.000 0.748 80 L CB -1.016 41.021 42.059 -0.036 0.000 0.905 80 L HN 0.278 nan 8.230 nan 0.000 0.439 81 N N -0.655 117.923 118.700 -0.202 0.000 2.364 81 N HA -0.152 4.589 4.740 0.000 0.000 0.183 81 N C 1.564 176.970 175.510 -0.174 0.000 1.022 81 N CA 1.559 54.473 53.050 -0.227 0.000 0.883 81 N CB -0.471 37.820 38.487 -0.327 0.000 0.965 81 N HN 0.461 nan 8.380 nan 0.000 0.438 82 T N 1.665 116.132 114.554 -0.145 0.000 2.881 82 T HA 0.011 4.361 4.350 0.000 0.000 0.270 82 T C 2.006 176.629 174.700 -0.128 0.000 1.068 82 T CA 0.418 62.447 62.100 -0.119 0.000 1.131 82 T CB -0.067 68.746 68.868 -0.093 0.000 0.871 82 T HN 0.215 nan 8.240 nan 0.000 0.479 83 L N 0.346 121.482 121.223 -0.146 0.000 2.362 83 L HA -0.020 4.320 4.340 0.000 0.000 0.219 83 L C 2.398 179.138 176.870 -0.217 0.000 1.134 83 L CA 1.065 55.797 54.840 -0.180 0.000 0.807 83 L CB -0.392 41.556 42.059 -0.185 0.000 0.927 83 L HN 0.190 nan 8.230 nan 0.000 0.447 84 K N -0.388 119.902 120.400 -0.184 0.000 2.366 84 K HA -0.025 4.295 4.320 0.000 0.000 0.198 84 K C 1.574 178.084 176.600 -0.150 0.000 1.044 84 K CA 0.243 56.423 56.287 -0.178 0.000 0.973 84 K CB -0.010 32.395 32.500 -0.157 0.000 0.767 84 K HN 0.318 nan 8.250 nan 0.000 0.475 85 N N 1.496 120.117 118.700 -0.131 0.000 2.058 85 N HA -0.142 4.598 4.740 0.000 0.000 0.191 85 N C 1.516 176.977 175.510 -0.082 0.000 1.037 85 N CA 1.333 54.326 53.050 -0.095 0.000 0.848 85 N CB -0.109 38.331 38.487 -0.078 0.000 1.021 85 N HN 0.174 nan 8.380 nan 0.000 0.422 86 R N 0.053 120.494 120.500 -0.098 0.000 2.299 86 R HA 0.105 4.446 4.340 0.000 0.000 0.197 86 R C 0.052 176.302 176.300 -0.084 0.000 0.971 86 R CA 0.205 56.276 56.100 -0.047 0.000 1.030 86 R CB 0.062 30.360 30.300 -0.004 0.000 0.932 86 R HN 0.078 nan 8.270 nan 0.000 0.477 87 N N 0.017 118.590 118.700 -0.211 0.000 2.609 87 N HA 0.163 4.903 4.740 0.000 0.000 0.268 87 N C -2.449 172.967 175.510 -0.157 0.000 1.106 87 N CA -2.068 50.840 53.050 -0.236 0.000 0.823 87 N CB 1.814 39.956 38.487 -0.575 0.000 1.263 87 N HN -0.247 nan 8.380 nan 0.000 0.533 88 P HA 0.034 nan 4.420 nan 0.000 0.218 88 P C 0.429 177.678 177.300 -0.085 0.000 1.149 88 P CA 1.022 64.076 63.100 -0.077 0.000 0.817 88 P CB 0.439 32.112 31.700 -0.045 0.000 0.785 89 N N -0.866 117.790 118.700 -0.073 0.000 2.512 89 N HA -0.033 4.707 4.740 0.000 0.000 0.183 89 N C 0.366 175.799 175.510 -0.128 0.000 1.073 89 N CA 0.209 53.212 53.050 -0.077 0.000 0.911 89 N CB -0.720 37.746 38.487 -0.035 0.000 0.964 89 N HN 0.111 nan 8.380 nan 0.000 0.447 90 L N 1.287 122.418 121.223 -0.154 0.000 2.433 90 L HA 0.171 4.512 4.340 0.000 0.000 0.275 90 L C -0.328 176.424 176.870 -0.196 0.000 1.128 90 L CA -0.165 54.563 54.840 -0.186 0.000 0.875 90 L CB 0.066 42.001 42.059 -0.206 0.000 1.171 90 L HN -0.150 nan 8.230 nan 0.000 0.463 91 K N 2.967 123.197 120.400 -0.283 0.000 2.098 91 K HA 0.656 4.977 4.320 0.000 0.000 0.261 91 K C -0.396 176.132 176.600 -0.119 0.000 0.987 91 K CA -0.316 55.824 56.287 -0.245 0.000 0.916 91 K CB 1.513 33.765 32.500 -0.413 0.000 1.039 91 K HN 0.632 nan 8.250 nan 0.000 0.455 92 T N 2.149 116.699 114.554 -0.006 0.000 2.881 92 T HA 0.601 4.952 4.350 0.000 0.000 0.290 92 T C -1.249 173.600 174.700 0.248 0.000 1.000 92 T CA -0.699 61.471 62.100 0.116 0.000 0.978 92 T CB 0.700 69.615 68.868 0.079 0.000 0.997 92 T HN 0.138 nan 8.240 nan 0.000 0.443 93 L N 2.954 124.313 121.223 0.226 0.000 2.354 93 L HA 0.704 5.044 4.340 0.000 0.000 0.269 93 L C -0.859 175.937 176.870 -0.123 0.000 1.005 93 L CA -0.900 54.004 54.840 0.108 0.000 0.819 93 L CB 1.595 43.723 42.059 0.115 0.000 1.311 93 L HN 0.443 nan 8.230 nan 0.000 0.423 94 L N 1.100 122.029 121.223 -0.491 0.000 2.295 94 L HA 0.646 4.986 4.340 0.000 0.000 0.285 94 L C -0.020 176.773 176.870 -0.129 0.000 1.035 94 L CA 0.217 54.648 54.840 -0.682 0.000 0.806 94 L CB 1.628 42.903 42.059 -1.307 0.000 1.214 94 L HN 0.598 nan 8.230 nan 0.000 0.426 95 S N 4.397 120.141 115.700 0.073 0.000 2.422 95 S HA 0.517 4.987 4.470 0.000 0.000 0.298 95 S C -0.719 174.100 174.600 0.366 0.000 1.118 95 S CA -0.542 57.818 58.200 0.267 0.000 1.083 95 S CB 0.769 64.222 63.200 0.422 0.000 0.971 95 S HN 0.671 nan 8.310 nan 0.000 0.478 96 V N 6.261 126.360 119.914 0.308 0.000 2.481 96 V HA 0.866 4.986 4.120 0.000 0.000 0.286 96 V C 0.821 177.022 176.094 0.178 0.000 1.042 96 V CA 1.266 63.723 62.300 0.261 0.000 0.928 96 V CB 0.558 32.534 31.823 0.256 0.000 0.986 96 V HN 1.293 nan 8.190 nan 0.000 0.462 97 G N 4.037 112.799 108.800 -0.064 0.000 2.254 97 G HA2 0.498 4.458 3.960 0.000 0.000 0.193 97 G HA3 0.498 4.458 3.960 0.000 0.000 0.193 97 G C 0.593 175.081 174.900 -0.687 0.000 1.233 97 G CA 0.127 45.004 45.100 -0.372 0.000 1.290 97 G HN 2.598 nan 8.290 nan 0.000 0.517 98 G N -2.281 105.738 108.800 -1.300 0.000 2.612 98 G HA2 0.069 4.029 3.960 0.000 0.000 0.686 98 G HA3 0.069 4.029 3.960 0.000 0.000 0.686 98 G C 0.602 174.919 174.900 -0.972 0.000 1.274 98 G CA 0.505 44.338 45.100 -2.111 0.000 0.849 98 G HN 1.243 nan 8.290 nan 0.000 0.595 99 W N -0.101 120.882 121.300 -0.529 0.000 2.476 99 W HA -0.019 4.642 4.660 0.000 0.000 0.281 99 W C 2.211 178.654 176.519 -0.127 0.000 1.230 99 W CA 1.110 58.306 57.345 -0.249 0.000 1.287 99 W CB -0.259 29.081 29.460 -0.200 0.000 1.108 99 W HN 0.643 nan 8.180 nan 0.000 0.567 100 N N -0.001 118.734 118.700 0.058 0.000 2.449 100 N HA -0.067 4.673 4.740 0.000 0.000 0.191 100 N C 1.315 176.993 175.510 0.280 0.000 1.161 100 N CA 0.018 53.154 53.050 0.143 0.000 0.863 100 N CB -0.344 38.236 38.487 0.154 0.000 0.980 100 N HN -0.057 nan 8.380 nan 0.000 0.458 101 F N 1.184 121.155 119.950 0.035 0.000 2.219 101 F HA 0.170 4.697 4.527 0.000 0.000 0.294 101 F C 1.218 177.051 175.800 0.054 0.000 1.086 101 F CA 0.876 58.939 58.000 0.105 0.000 1.330 101 F CB 0.179 39.161 39.000 -0.031 0.000 1.047 101 F HN -0.034 nan 8.300 nan 0.000 0.495 102 G N 0.365 109.335 108.800 0.284 0.000 3.081 102 G HA2 -0.186 3.774 3.960 0.000 0.000 0.603 102 G HA3 -0.186 3.774 3.960 0.000 0.000 0.603 102 G C 0.658 175.742 174.900 0.306 0.000 1.106 102 G CA 0.197 45.411 45.100 0.191 0.000 1.001 102 G HN 0.760 nan 8.290 nan 0.000 0.445 103 S N 0.569 116.454 115.700 0.309 0.000 2.461 103 S HA -0.250 4.220 4.470 0.000 0.000 0.246 103 S C 2.055 176.857 174.600 0.338 0.000 1.007 103 S CA 1.965 60.417 58.200 0.420 0.000 0.976 103 S CB -0.072 63.406 63.200 0.463 0.000 0.763 103 S HN 0.701 nan 8.310 nan 0.000 0.508 104 Q N 1.841 121.766 119.800 0.210 0.000 1.965 104 Q HA 0.017 4.358 4.340 0.000 0.000 0.200 104 Q C 2.582 178.630 176.000 0.081 0.000 0.981 104 Q CA 1.526 57.406 55.803 0.129 0.000 0.834 104 Q CB -0.562 28.216 28.738 0.066 0.000 0.900 104 Q HN 0.684 nan 8.270 nan 0.000 0.426 105 R N -0.377 120.143 120.500 0.033 0.000 2.083 105 R HA -0.135 4.206 4.340 0.000 0.000 0.237 105 R C 2.267 178.580 176.300 0.022 0.000 1.137 105 R CA 1.224 57.291 56.100 -0.055 0.000 0.951 105 R CB -0.536 29.585 30.300 -0.298 0.000 0.851 105 R HN 0.145 nan 8.270 nan 0.000 0.434 106 F N 1.445 121.417 119.950 0.038 0.000 2.171 106 F HA -0.210 4.318 4.527 0.000 0.000 0.300 106 F C 2.755 178.092 175.800 -0.773 0.000 1.090 106 F CA 1.359 59.037 58.000 -0.537 0.000 1.293 106 F CB -0.663 37.562 39.000 -1.292 0.000 1.013 106 F HN -0.053 nan 8.300 nan 0.000 0.486 107 S N -0.161 115.487 115.700 -0.086 0.000 2.351 107 S HA -0.244 4.226 4.470 0.000 0.000 0.220 107 S C 2.204 176.799 174.600 -0.008 0.000 1.035 107 S CA 1.764 60.055 58.200 0.151 0.000 1.031 107 S CB -0.296 63.079 63.200 0.292 0.000 0.928 107 S HN 0.391 nan 8.310 nan 0.000 0.433 108 K N 0.578 120.959 120.400 -0.031 0.000 2.001 108 K HA -0.125 4.195 4.320 0.000 0.000 0.214 108 K C 2.087 178.625 176.600 -0.104 0.000 1.050 108 K CA 2.067 58.312 56.287 -0.068 0.000 0.934 108 K CB -0.587 31.877 32.500 -0.061 0.000 0.718 108 K HN 0.463 nan 8.250 nan 0.000 0.443 109 I N 0.841 121.326 120.570 -0.141 0.000 2.248 109 I HA -0.321 3.850 4.170 0.000 0.000 0.248 109 I C 2.429 178.483 176.117 -0.106 0.000 1.107 109 I CA 1.456 62.652 61.300 -0.173 0.000 1.373 109 I CB -0.429 37.358 38.000 -0.355 0.000 1.055 109 I HN 0.223 nan 8.210 nan 0.000 0.418 110 A N -0.406 122.365 122.820 -0.083 0.000 2.030 110 A HA -0.036 4.285 4.320 0.000 0.000 0.215 110 A C 2.421 179.973 177.584 -0.054 0.000 1.164 110 A CA 1.126 53.189 52.037 0.044 0.000 0.697 110 A CB -0.286 18.846 19.000 0.220 0.000 0.827 110 A HN 0.347 nan 8.150 nan 0.000 0.457 111 S N 0.653 116.195 115.700 -0.263 0.000 2.335 111 S HA -0.071 4.399 4.470 0.000 0.000 0.217 111 S C 1.132 175.634 174.600 -0.164 0.000 1.032 111 S CA 0.266 58.126 58.200 -0.567 0.000 0.985 111 S CB -0.429 62.507 63.200 -0.439 0.000 0.896 111 S HN 0.689 nan 8.310 nan 0.000 0.445 112 N N 1.901 120.547 118.700 -0.090 0.000 2.447 112 N HA 0.025 4.765 4.740 0.000 0.000 0.263 112 N C 0.600 176.112 175.510 0.003 0.000 1.226 112 N CA 0.441 53.475 53.050 -0.028 0.000 0.906 112 N CB 1.019 39.487 38.487 -0.032 0.000 1.060 112 N HN 0.160 nan 8.380 nan 0.000 0.468 113 T N 3.750 118.318 114.554 0.024 0.000 2.777 113 T HA -0.154 4.196 4.350 0.000 0.000 0.266 113 T C 1.592 176.306 174.700 0.022 0.000 1.040 113 T CA 1.382 63.503 62.100 0.034 0.000 1.141 113 T CB 0.048 68.939 68.868 0.037 0.000 0.868 113 T HN 0.576 nan 8.240 nan 0.000 0.444 114 Q N 1.107 120.915 119.800 0.013 0.000 2.016 114 Q HA -0.014 4.326 4.340 0.000 0.000 0.200 114 Q C 2.685 178.686 176.000 0.002 0.000 0.978 114 Q CA 1.455 57.262 55.803 0.008 0.000 0.833 114 Q CB -0.621 28.121 28.738 0.006 0.000 0.895 114 Q HN 0.365 nan 8.270 nan 0.000 0.427 115 S N 0.246 115.942 115.700 -0.005 0.000 2.374 115 S HA -0.268 4.202 4.470 0.000 0.000 0.227 115 S C 1.966 176.575 174.600 0.015 0.000 1.037 115 S CA 1.679 59.868 58.200 -0.017 0.000 1.024 115 S CB -0.172 63.004 63.200 -0.039 0.000 0.861 115 S HN 0.357 nan 8.310 nan 0.000 0.456 116 R N 0.319 120.841 120.500 0.036 0.000 2.083 116 R HA -0.121 4.219 4.340 0.000 0.000 0.237 116 R C 2.482 178.836 176.300 0.090 0.000 1.137 116 R CA 1.770 57.928 56.100 0.097 0.000 0.951 116 R CB -0.312 30.040 30.300 0.087 0.000 0.851 116 R HN 0.253 nan 8.270 nan 0.000 0.434 117 R N 0.363 120.884 120.500 0.034 0.000 2.070 117 R HA -0.068 4.273 4.340 0.000 0.000 0.233 117 R C 1.953 178.240 176.300 -0.022 0.000 1.137 117 R CA 2.593 58.695 56.100 0.003 0.000 0.945 117 R CB -1.060 29.240 30.300 -0.000 0.000 0.845 117 R HN 0.268 nan 8.270 nan 0.000 0.430 118 T N 1.176 115.706 114.554 -0.041 0.000 2.597 118 T HA -0.217 4.133 4.350 0.000 0.000 0.267 118 T C 1.475 176.071 174.700 -0.175 0.000 1.053 118 T CA 1.817 63.830 62.100 -0.145 0.000 1.165 118 T CB -0.645 68.104 68.868 -0.198 0.000 0.863 118 T HN 0.309 nan 8.240 nan 0.000 0.427 119 F N 1.809 121.624 119.950 -0.224 0.000 2.046 119 F HA -0.086 4.441 4.527 0.000 0.000 0.297 119 F C 2.114 177.866 175.800 -0.081 0.000 1.123 119 F CA 0.879 58.777 58.000 -0.170 0.000 1.199 119 F CB -0.818 38.100 39.000 -0.137 0.000 0.972 119 F HN 0.108 nan 8.300 nan 0.000 0.474 120 I N 0.407 120.795 120.570 -0.305 0.000 2.151 120 I HA -0.386 3.784 4.170 0.000 0.000 0.243 120 I C 2.609 178.603 176.117 -0.206 0.000 1.080 120 I CA 2.045 63.126 61.300 -0.365 0.000 1.339 120 I CB -0.660 37.239 38.000 -0.170 0.000 1.039 120 I HN 0.194 nan 8.210 nan 0.000 0.409 121 K N 0.894 121.227 120.400 -0.112 0.000 2.097 121 K HA -0.189 4.132 4.320 0.000 0.000 0.206 121 K C 2.240 178.839 176.600 -0.002 0.000 1.049 121 K CA 1.783 58.049 56.287 -0.034 0.000 0.933 121 K CB -0.055 32.437 32.500 -0.015 0.000 0.717 121 K HN 0.395 nan 8.250 nan 0.000 0.442 122 S N -0.414 115.267 115.700 -0.031 0.000 2.481 122 S HA -0.055 4.415 4.470 0.000 0.000 0.231 122 S C 1.841 176.489 174.600 0.080 0.000 0.996 122 S CA 0.829 59.080 58.200 0.085 0.000 0.942 122 S CB -0.145 63.146 63.200 0.152 0.000 0.768 122 S HN 0.089 nan 8.310 nan 0.000 0.520 123 V N 3.046 122.938 119.914 -0.036 0.000 2.229 123 V HA -0.020 4.100 4.120 0.000 0.000 0.243 123 V C -0.237 175.920 176.094 0.105 0.000 1.042 123 V CA 1.678 63.995 62.300 0.027 0.000 1.000 123 V CB -1.750 30.061 31.823 -0.021 0.000 0.637 123 V HN 0.347 nan 8.190 nan 0.000 0.446 124 P HA -0.146 nan 4.420 nan 0.000 0.215 124 P C -1.429 175.882 177.300 0.018 0.000 1.163 124 P CA 2.226 65.301 63.100 -0.040 0.000 0.894 124 P CB -1.270 30.429 31.700 -0.002 0.000 0.791 125 P HA -0.191 nan 4.420 nan 0.000 0.213 125 P C 1.523 178.889 177.300 0.111 0.000 1.170 125 P CA 1.120 64.265 63.100 0.075 0.000 0.898 125 P CB -0.591 31.173 31.700 0.106 0.000 0.787 126 F N -0.047 119.945 119.950 0.070 0.000 2.115 126 F HA -0.248 4.279 4.527 0.000 0.000 0.300 126 F C 1.994 177.918 175.800 0.206 0.000 1.092 126 F CA 1.568 59.670 58.000 0.171 0.000 1.245 126 F CB -0.814 38.323 39.000 0.227 0.000 0.995 126 F HN -0.227 nan 8.300 nan 0.000 0.481 127 L N -0.575 120.827 121.223 0.298 0.000 2.005 127 L HA -0.213 4.128 4.340 0.000 0.000 0.207 127 L C 2.735 179.637 176.870 0.054 0.000 1.072 127 L CA 1.084 56.060 54.840 0.226 0.000 0.744 127 L CB -0.746 41.360 42.059 0.079 0.000 0.895 127 L HN 0.001 nan 8.230 nan 0.000 0.433 128 R N -0.173 120.309 120.500 -0.030 0.000 2.091 128 R HA -0.124 4.217 4.340 0.000 0.000 0.238 128 R C 2.230 178.439 176.300 -0.152 0.000 1.136 128 R CA 1.753 57.800 56.100 -0.088 0.000 0.959 128 R CB -1.488 28.764 30.300 -0.079 0.000 0.856 128 R HN 0.341 nan 8.270 nan 0.000 0.437 129 T N 0.237 114.663 114.554 -0.213 0.000 2.759 129 T HA -0.138 4.213 4.350 0.000 0.000 0.269 129 T C 0.988 175.363 174.700 -0.542 0.000 1.042 129 T CA 1.604 63.463 62.100 -0.402 0.000 1.140 129 T CB -0.206 68.325 68.868 -0.562 0.000 0.864 129 T HN 0.524 nan 8.240 nan 0.000 0.455 130 H N -0.811 118.104 119.070 -0.258 0.000 2.520 130 H HA 0.443 4.999 4.556 0.000 0.000 0.284 130 H C 1.394 176.420 175.328 -0.504 0.000 1.037 130 H CA 0.072 55.924 56.048 -0.327 0.000 1.168 130 H CB 0.338 29.902 29.762 -0.331 0.000 1.497 130 H HN 0.385 nan 8.280 nan 0.000 0.547 131 G N 0.584 109.203 108.800 -0.302 0.000 2.182 131 G HA2 -0.282 3.678 3.960 0.000 0.000 0.248 131 G HA3 -0.282 3.678 3.960 0.000 0.000 0.248 131 G C -0.454 174.172 174.900 -0.456 0.000 1.042 131 G CA -0.320 44.569 45.100 -0.352 0.000 0.775 131 G HN 0.200 nan 8.290 nan 0.000 0.501 132 F N 0.019 119.883 119.950 -0.143 0.000 2.422 132 F HA 0.494 5.021 4.527 0.000 0.000 0.333 132 F C 1.139 176.868 175.800 -0.119 0.000 1.095 132 F CA -0.932 56.987 58.000 -0.134 0.000 1.038 132 F CB 1.531 40.450 39.000 -0.135 0.000 1.156 132 F HN 0.020 nan 8.300 nan 0.000 0.483 133 D N 0.711 121.177 120.400 0.110 0.000 2.340 133 D HA 0.316 4.957 4.640 0.000 0.000 0.220 133 D C 0.715 177.024 176.300 0.015 0.000 1.039 133 D CA 0.447 54.460 54.000 0.022 0.000 0.866 133 D CB 0.398 41.200 40.800 0.002 0.000 0.913 133 D HN 0.659 nan 8.370 nan 0.000 0.523 134 G N -0.343 108.485 108.800 0.047 0.000 2.349 134 G HA2 0.415 4.376 3.960 0.000 0.000 0.294 134 G HA3 0.415 4.376 3.960 0.000 0.000 0.294 134 G C -2.268 172.654 174.900 0.037 0.000 1.380 134 G CA -0.961 44.145 45.100 0.011 0.000 0.811 134 G HN 0.054 nan 8.290 nan 0.000 0.519 135 L N 0.289 121.601 121.223 0.148 0.000 2.346 135 L HA 0.838 5.179 4.340 0.000 0.000 0.276 135 L C -1.166 175.779 176.870 0.125 0.000 1.006 135 L CA -0.643 54.295 54.840 0.163 0.000 0.817 135 L CB 2.121 44.387 42.059 0.345 0.000 1.272 135 L HN 0.591 nan 8.230 nan 0.000 0.421 136 D N 3.817 124.280 120.400 0.104 0.000 2.344 136 D HA 0.343 4.984 4.640 0.000 0.000 0.239 136 D C -1.100 175.308 176.300 0.180 0.000 1.064 136 D CA -0.142 53.925 54.000 0.110 0.000 0.829 136 D CB 1.032 41.926 40.800 0.157 0.000 1.129 136 D HN 0.568 nan 8.370 nan 0.000 0.506 137 L N 3.425 124.733 121.223 0.141 0.000 2.295 137 L HA 0.468 4.809 4.340 0.000 0.000 0.288 137 L C 0.377 177.350 176.870 0.172 0.000 1.079 137 L CA -0.562 54.389 54.840 0.186 0.000 0.830 137 L CB 1.043 43.184 42.059 0.137 0.000 1.200 137 L HN 0.587 nan 8.230 nan 0.000 0.438 138 A N 4.620 127.532 122.820 0.152 0.000 3.290 138 A HA 0.109 4.429 4.320 0.000 0.000 0.297 138 A C -0.497 176.956 177.584 -0.218 0.000 1.285 138 A CA -0.485 51.548 52.037 -0.006 0.000 1.060 138 A CB -0.206 18.868 19.000 0.124 0.000 1.114 138 A HN 0.724 nan 8.150 nan 0.000 0.601 139 W N 2.309 123.318 121.300 -0.485 0.000 2.546 139 W HA 0.466 5.127 4.660 0.000 0.000 0.323 139 W C -1.245 174.859 176.519 -0.692 0.000 1.272 139 W CA -0.806 56.051 57.345 -0.812 0.000 1.404 139 W CB 0.064 28.899 29.460 -1.042 0.000 1.411 139 W HN 0.340 nan 8.180 nan 0.000 0.480 140 L N 9.048 130.033 121.223 -0.395 0.000 2.356 140 L HA 0.329 4.670 4.340 0.000 0.000 0.264 140 L C -1.112 175.573 176.870 -0.309 0.000 1.029 140 L CA -0.663 53.565 54.840 -1.020 0.000 0.897 140 L CB -0.181 40.935 42.059 -1.573 0.000 1.256 140 L HN 0.184 nan 8.230 nan 0.000 0.444 141 Y N 1.128 121.410 120.300 -0.029 0.000 2.609 141 Y HA 0.549 5.099 4.550 0.000 0.000 0.342 141 Y C -2.422 173.148 175.900 -0.550 0.000 1.058 141 Y CA -2.876 55.045 58.100 -0.298 0.000 1.055 141 Y CB 1.473 39.748 38.460 -0.308 0.000 1.292 141 Y HN 0.276 nan 8.280 nan 0.000 0.476 142 P HA 0.141 nan 4.420 nan 0.000 0.269 142 P C 0.031 177.024 177.300 -0.512 0.000 1.209 142 P CA 0.072 62.416 63.100 -1.260 0.000 0.776 142 P CB 0.621 31.314 31.700 -1.679 0.000 0.876 143 G N 1.449 110.103 108.800 -0.243 0.000 2.557 143 G HA2 0.164 4.124 3.960 0.000 0.000 0.292 143 G HA3 0.164 4.124 3.960 0.000 0.000 0.292 143 G C 0.929 175.728 174.900 -0.168 0.000 1.237 143 G CA -0.601 44.418 45.100 -0.136 0.000 0.978 143 G HN 0.557 nan 8.290 nan 0.000 0.498 144 R N -0.769 119.655 120.500 -0.126 0.000 2.127 144 R HA -0.042 4.298 4.340 0.000 0.000 0.238 144 R C 1.731 177.987 176.300 -0.073 0.000 1.134 144 R CA 1.141 57.171 56.100 -0.118 0.000 0.975 144 R CB -0.158 30.088 30.300 -0.089 0.000 0.865 144 R HN 0.441 nan 8.270 nan 0.000 0.447 145 R N 0.295 120.781 120.500 -0.022 0.000 2.299 145 R HA 0.021 4.361 4.340 0.000 0.000 0.197 145 R C 0.374 176.729 176.300 0.092 0.000 0.971 145 R CA 0.670 56.790 56.100 0.033 0.000 1.030 145 R CB 0.195 30.541 30.300 0.077 0.000 0.932 145 R HN 0.388 nan 8.270 nan 0.000 0.477 146 D N 0.559 120.991 120.400 0.052 0.000 2.349 146 D HA -0.015 4.625 4.640 0.000 0.000 0.214 146 D C 1.469 177.766 176.300 -0.005 0.000 1.063 146 D CA 0.193 54.267 54.000 0.124 0.000 0.847 146 D CB 0.420 41.215 40.800 -0.009 0.000 0.933 146 D HN 0.086 nan 8.370 nan 0.000 0.513 147 K N 1.029 121.385 120.400 -0.075 0.000 2.059 147 K HA -0.263 4.057 4.320 0.000 0.000 0.212 147 K C 1.879 178.504 176.600 0.042 0.000 1.050 147 K CA 1.496 57.759 56.287 -0.040 0.000 0.927 147 K CB 0.255 32.720 32.500 -0.059 0.000 0.714 147 K HN -0.161 nan 8.250 nan 0.000 0.447 148 Q N -0.317 119.459 119.800 -0.040 0.000 2.046 148 Q HA -0.113 4.227 4.340 0.000 0.000 0.200 148 Q C 2.124 178.131 176.000 0.012 0.000 0.975 148 Q CA 1.726 57.493 55.803 -0.061 0.000 0.836 148 Q CB -0.460 28.169 28.738 -0.181 0.000 0.896 148 Q HN 0.500 nan 8.270 nan 0.000 0.428 149 H N -1.042 118.116 119.070 0.148 0.000 2.353 149 H HA -0.163 4.393 4.556 0.000 0.000 0.298 149 H C 1.853 177.352 175.328 0.286 0.000 1.103 149 H CA 1.456 57.635 56.048 0.218 0.000 1.293 149 H CB -0.587 29.356 29.762 0.302 0.000 1.372 149 H HN 0.242 nan 8.280 nan 0.000 0.501 150 F N 1.770 121.839 119.950 0.199 0.000 2.171 150 F HA -0.188 4.340 4.527 0.000 0.000 0.300 150 F C 2.325 178.180 175.800 0.093 0.000 1.090 150 F CA 1.486 59.555 58.000 0.114 0.000 1.293 150 F CB -0.344 38.564 39.000 -0.152 0.000 1.013 150 F HN 0.002 nan 8.300 nan 0.000 0.486 151 T N -0.640 113.981 114.554 0.112 0.000 2.708 151 T HA -0.171 4.179 4.350 0.000 0.000 0.266 151 T C 1.909 176.590 174.700 -0.033 0.000 1.037 151 T CA 2.036 64.144 62.100 0.012 0.000 1.146 151 T CB -0.690 68.217 68.868 0.066 0.000 0.865 151 T HN 0.266 nan 8.240 nan 0.000 0.435 152 T N 2.833 117.400 114.554 0.022 0.000 2.580 152 T HA -0.121 4.229 4.350 0.000 0.000 0.265 152 T C 1.917 176.594 174.700 -0.038 0.000 1.063 152 T CA 1.365 63.467 62.100 0.004 0.000 1.170 152 T CB -0.720 68.196 68.868 0.081 0.000 0.863 152 T HN 0.141 nan 8.240 nan 0.000 0.418 153 L N 1.029 122.272 121.223 0.033 0.000 2.034 153 L HA -0.138 4.202 4.340 0.000 0.000 0.217 153 L C 2.188 178.984 176.870 -0.124 0.000 1.077 153 L CA 1.692 56.549 54.840 0.028 0.000 0.769 153 L CB -0.789 41.375 42.059 0.175 0.000 0.890 153 L HN 0.354 nan 8.230 nan 0.000 0.435 154 I N -0.927 119.495 120.570 -0.246 0.000 2.252 154 I HA -0.294 3.876 4.170 0.000 0.000 0.245 154 I C 2.587 178.525 176.117 -0.297 0.000 1.102 154 I CA 1.505 62.624 61.300 -0.302 0.000 1.385 154 I CB -0.422 37.354 38.000 -0.374 0.000 1.064 154 I HN 0.350 nan 8.210 nan 0.000 0.414 155 K N 1.325 121.519 120.400 -0.344 0.000 2.009 155 K HA -0.230 4.090 4.320 0.000 0.000 0.210 155 K C 1.945 178.284 176.600 -0.435 0.000 1.049 155 K CA 1.837 57.721 56.287 -0.672 0.000 0.929 155 K CB -0.039 32.094 32.500 -0.611 0.000 0.714 155 K HN 0.304 nan 8.250 nan 0.000 0.440 156 E N -0.015 120.020 120.200 -0.275 0.000 2.204 156 E HA -0.188 4.162 4.350 0.000 0.000 0.194 156 E C 1.880 178.332 176.600 -0.247 0.000 0.989 156 E CA 1.048 57.325 56.400 -0.204 0.000 0.824 156 E CB -0.041 29.588 29.700 -0.118 0.000 0.756 156 E HN 0.255 nan 8.360 nan 0.000 0.477 157 M N 1.162 120.569 119.600 -0.322 0.000 2.175 157 M HA -0.125 4.355 4.480 0.000 0.000 0.264 157 M C 1.961 177.800 176.300 -0.769 0.000 1.063 157 M CA 1.596 56.583 55.300 -0.522 0.000 1.119 157 M CB 0.098 32.383 32.600 -0.526 0.000 1.377 157 M HN -0.217 nan 8.290 nan 0.000 0.415 158 K N 0.151 120.232 120.400 -0.531 0.000 2.103 158 K HA 0.109 4.429 4.320 0.000 0.000 0.204 158 K C 1.777 178.260 176.600 -0.196 0.000 1.052 158 K CA 1.530 57.592 56.287 -0.375 0.000 0.945 158 K CB -0.627 31.754 32.500 -0.199 0.000 0.722 158 K HN 0.341 nan 8.250 nan 0.000 0.443 159 A N 0.885 123.587 122.820 -0.196 0.000 1.859 159 A HA -0.254 4.067 4.320 0.000 0.000 0.217 159 A C 2.177 179.736 177.584 -0.040 0.000 1.198 159 A CA 2.216 54.190 52.037 -0.104 0.000 0.629 159 A CB -0.958 17.971 19.000 -0.118 0.000 0.830 159 A HN 0.508 nan 8.150 nan 0.000 0.446 160 E N -0.803 119.362 120.200 -0.059 0.000 2.085 160 E HA -0.171 4.179 4.350 0.000 0.000 0.194 160 E C 1.628 178.362 176.600 0.223 0.000 0.994 160 E CA 1.487 57.916 56.400 0.049 0.000 0.801 160 E CB -0.408 29.309 29.700 0.028 0.000 0.743 160 E HN 0.526 nan 8.360 nan 0.000 0.453 161 F N 0.198 120.121 119.950 -0.044 0.000 2.216 161 F HA -0.058 4.470 4.527 0.000 0.000 0.300 161 F C 2.149 177.940 175.800 -0.015 0.000 1.085 161 F CA 0.621 58.605 58.000 -0.028 0.000 1.326 161 F CB -0.694 38.290 39.000 -0.026 0.000 1.027 161 F HN 0.117 nan 8.300 nan 0.000 0.497 162 I N -0.330 120.348 120.570 0.179 0.000 2.286 162 I HA -0.271 3.899 4.170 0.000 0.000 0.245 162 I C 2.546 178.704 176.117 0.068 0.000 1.104 162 I CA 1.135 62.494 61.300 0.097 0.000 1.397 162 I CB -0.423 37.612 38.000 0.058 0.000 1.072 162 I HN 0.029 nan 8.210 nan 0.000 0.417 163 K N 1.174 121.612 120.400 0.063 0.000 1.985 163 K HA -0.266 4.054 4.320 0.000 0.000 0.210 163 K C 2.157 178.783 176.600 0.042 0.000 1.047 163 K CA 1.690 58.002 56.287 0.043 0.000 0.932 163 K CB -0.241 32.281 32.500 0.036 0.000 0.716 163 K HN 0.090 nan 8.250 nan 0.000 0.439 164 E N 0.096 120.330 120.200 0.057 0.000 2.393 164 E HA -0.185 4.165 4.350 0.000 0.000 0.201 164 E C 0.816 177.423 176.600 0.012 0.000 1.025 164 E CA 1.247 57.666 56.400 0.032 0.000 0.856 164 E CB 0.086 29.804 29.700 0.030 0.000 0.771 164 E HN 0.459 nan 8.360 nan 0.000 0.526 165 A N -0.694 122.140 122.820 0.023 0.000 2.469 165 A HA 0.247 4.568 4.320 0.000 0.000 0.245 165 A C 2.039 179.631 177.584 0.014 0.000 1.221 165 A CA 0.757 52.801 52.037 0.010 0.000 0.946 165 A CB -0.065 18.942 19.000 0.013 0.000 1.049 165 A HN 0.286 nan 8.150 nan 0.000 0.529 166 Q N 1.424 121.235 119.800 0.019 0.000 2.118 166 Q HA -0.223 4.117 4.340 0.000 0.000 0.211 166 Q C 0.422 176.428 176.000 0.009 0.000 0.998 166 Q CA 2.312 58.125 55.803 0.016 0.000 0.872 166 Q CB -2.785 25.962 28.738 0.016 0.000 0.925 166 Q HN 0.685 nan 8.270 nan 0.000 0.414 167 P HA -0.035 nan 4.420 nan 0.000 0.216 167 P C 0.943 178.243 177.300 -0.000 0.000 1.150 167 P CA 2.172 65.273 63.100 0.002 0.000 0.843 167 P CB -0.115 31.584 31.700 -0.001 0.000 0.787 168 G N -1.482 107.317 108.800 -0.001 0.000 3.268 168 G HA2 -0.069 3.891 3.960 0.000 0.000 0.220 168 G HA3 -0.069 3.891 3.960 0.000 0.000 0.220 168 G C -0.148 174.747 174.900 -0.007 0.000 0.942 168 G CA -0.608 44.491 45.100 -0.003 0.000 0.918 168 G HN 0.277 nan 8.290 nan 0.000 0.658 169 K N 1.119 121.513 120.400 -0.010 0.000 2.154 169 K HA 0.418 4.738 4.320 0.000 0.000 0.264 169 K C 0.451 177.042 176.600 -0.015 0.000 1.008 169 K CA -0.589 55.686 56.287 -0.019 0.000 0.937 169 K CB 1.080 33.564 32.500 -0.027 0.000 1.002 169 K HN 0.359 nan 8.250 nan 0.000 0.469 170 K N 1.954 122.341 120.400 -0.021 0.000 2.402 170 K HA -0.015 4.305 4.320 0.000 0.000 0.285 170 K C -0.141 176.449 176.600 -0.018 0.000 1.054 170 K CA -0.225 56.054 56.287 -0.014 0.000 1.001 170 K CB 0.619 33.107 32.500 -0.019 0.000 0.946 170 K HN 0.428 nan 8.250 nan 0.000 0.473 171 Q N 3.737 123.538 119.800 0.003 0.000 2.304 171 Q HA -0.028 4.312 4.340 0.000 0.000 0.301 171 Q C -0.529 175.464 176.000 -0.012 0.000 1.063 171 Q CA -0.094 55.715 55.803 0.011 0.000 0.947 171 Q CB 0.508 29.281 28.738 0.059 0.000 1.201 171 Q HN 0.616 nan 8.270 nan 0.000 0.389 172 L N 4.657 125.814 121.223 -0.109 0.000 2.490 172 L HA 0.044 4.385 4.340 0.000 0.000 0.274 172 L C 0.053 176.925 176.870 0.003 0.000 1.201 172 L CA -0.057 54.633 54.840 -0.249 0.000 0.869 172 L CB 0.153 41.691 42.059 -0.869 0.000 1.123 172 L HN 0.570 nan 8.230 nan 0.000 0.484 173 L N 4.004 125.269 121.223 0.070 0.000 2.371 173 L HA 0.302 4.642 4.340 0.000 0.000 0.272 173 L C -0.329 176.709 176.870 0.280 0.000 1.124 173 L CA -0.363 54.594 54.840 0.195 0.000 0.816 173 L CB 1.098 43.288 42.059 0.219 0.000 1.129 173 L HN 0.390 nan 8.230 nan 0.000 0.448 174 L N 3.162 124.497 121.223 0.187 0.000 2.372 174 L HA 0.512 4.853 4.340 0.000 0.000 0.273 174 L C -0.165 176.584 176.870 -0.202 0.000 0.989 174 L CA 0.180 55.062 54.840 0.069 0.000 0.841 174 L CB 1.495 43.526 42.059 -0.047 0.000 1.225 174 L HN 0.714 nan 8.230 nan 0.000 0.414 175 S N 3.541 119.056 115.700 -0.308 0.000 2.671 175 S HA 1.037 5.508 4.470 0.000 0.000 0.299 175 S C -0.689 173.766 174.600 -0.242 0.000 1.116 175 S CA -0.273 57.572 58.200 -0.593 0.000 0.912 175 S CB 1.999 64.439 63.200 -1.268 0.000 1.130 175 S HN 1.173 nan 8.310 nan 0.000 0.501 176 A N 0.136 122.853 122.820 -0.172 0.000 2.488 176 A HA 0.836 5.156 4.320 0.000 0.000 0.298 176 A C -0.490 177.141 177.584 0.077 0.000 1.044 176 A CA -0.469 51.569 52.037 0.003 0.000 0.693 176 A CB 1.135 20.136 19.000 0.002 0.000 1.272 176 A HN 1.746 nan 8.150 nan 0.000 0.402 177 A N 2.566 125.471 122.820 0.143 0.000 2.302 177 A HA 0.666 4.986 4.320 0.000 0.000 0.295 177 A C -0.380 177.227 177.584 0.038 0.000 1.235 177 A CA -0.090 52.038 52.037 0.153 0.000 0.876 177 A CB -0.251 18.849 19.000 0.168 0.000 1.133 177 A HN 0.819 nan 8.150 nan 0.000 0.533 178 L N 1.915 123.152 121.223 0.023 0.000 2.342 178 L HA 0.482 4.822 4.340 0.000 0.000 0.271 178 L C 0.850 177.839 176.870 0.199 0.000 1.008 178 L CA -0.757 54.070 54.840 -0.022 0.000 0.818 178 L CB 1.993 43.837 42.059 -0.358 0.000 1.296 178 L HN 0.700 nan 8.230 nan 0.000 0.427 179 S N 0.750 116.733 115.700 0.471 0.000 2.560 179 S HA 0.256 4.726 4.470 0.000 0.000 0.284 179 S C 0.818 175.513 174.600 0.159 0.000 1.327 179 S CA 0.182 58.533 58.200 0.251 0.000 1.055 179 S CB 1.214 64.368 63.200 -0.076 0.000 0.868 179 S HN 0.716 nan 8.310 nan 0.000 0.506 180 A N 3.867 126.704 122.820 0.029 0.000 2.308 180 A HA 0.428 4.749 4.320 0.000 0.000 0.217 180 A C 1.046 178.813 177.584 0.305 0.000 1.216 180 A CA 0.258 52.386 52.037 0.151 0.000 0.864 180 A CB -0.471 18.572 19.000 0.071 0.000 0.902 180 A HN 0.943 nan 8.150 nan 0.000 0.499 181 G N -0.199 108.689 108.800 0.147 0.000 2.355 181 G HA2 0.323 4.283 3.960 0.000 0.000 0.276 181 G HA3 0.323 4.283 3.960 0.000 0.000 0.276 181 G C 0.680 175.626 174.900 0.078 0.000 1.198 181 G CA -0.140 45.058 45.100 0.163 0.000 0.876 181 G HN 0.357 nan 8.290 nan 0.000 0.478 182 K N 2.087 122.508 120.400 0.035 0.000 2.034 182 K HA -0.188 4.132 4.320 0.000 0.000 0.214 182 K C 2.465 178.982 176.600 -0.139 0.000 1.051 182 K CA 1.904 58.110 56.287 -0.136 0.000 0.931 182 K CB -0.218 31.872 32.500 -0.685 0.000 0.715 182 K HN 0.362 nan 8.250 nan 0.000 0.446 183 V N 1.000 120.805 119.914 -0.182 0.000 2.231 183 V HA -0.333 3.787 4.120 0.000 0.000 0.250 183 V C 2.340 178.319 176.094 -0.192 0.000 1.058 183 V CA 2.573 64.772 62.300 -0.169 0.000 1.022 183 V CB -1.037 30.701 31.823 -0.142 0.000 0.640 183 V HN 0.506 nan 8.190 nan 0.000 0.445 184 T N 0.259 114.667 114.554 -0.244 0.000 2.720 184 T HA -0.145 4.205 4.350 0.000 0.000 0.268 184 T C 1.802 176.223 174.700 -0.464 0.000 1.037 184 T CA 1.964 63.827 62.100 -0.395 0.000 1.144 184 T CB -0.373 68.184 68.868 -0.519 0.000 0.864 184 T HN 0.375 nan 8.240 nan 0.000 0.444 185 I N 1.339 121.765 120.570 -0.241 0.000 2.208 185 I HA -0.193 3.977 4.170 0.000 0.000 0.245 185 I C 2.294 178.363 176.117 -0.081 0.000 1.097 185 I CA 1.243 62.493 61.300 -0.084 0.000 1.363 185 I CB -0.423 37.715 38.000 0.230 0.000 1.051 185 I HN 0.150 nan 8.210 nan 0.000 0.413 186 D N 0.406 120.783 120.400 -0.037 0.000 2.144 186 D HA -0.129 4.511 4.640 0.000 0.000 0.200 186 D C 2.385 178.622 176.300 -0.105 0.000 0.978 186 D CA 1.876 55.861 54.000 -0.026 0.000 0.833 186 D CB -0.108 40.687 40.800 -0.008 0.000 0.961 186 D HN 0.390 nan 8.370 nan 0.000 0.470 187 S N -0.870 114.720 115.700 -0.182 0.000 2.458 187 S HA 0.065 4.535 4.470 0.000 0.000 0.223 187 S C 1.921 176.358 174.600 -0.272 0.000 1.019 187 S CA 0.418 58.500 58.200 -0.198 0.000 0.937 187 S CB 0.293 63.375 63.200 -0.196 0.000 0.788 187 S HN -0.011 nan 8.310 nan 0.000 0.511 188 S N -0.151 115.274 115.700 -0.457 0.000 2.506 188 S HA 0.401 4.872 4.470 0.000 0.000 0.219 188 S C -0.667 173.664 174.600 -0.448 0.000 1.031 188 S CA -0.304 57.528 58.200 -0.613 0.000 0.911 188 S CB -0.013 62.589 63.200 -0.997 0.000 0.812 188 S HN 0.552 nan 8.310 nan 0.000 0.497 189 Y N 1.531 121.729 120.300 -0.170 0.000 2.409 189 Y HA 0.548 5.098 4.550 0.000 0.000 0.339 189 Y C -0.073 175.812 175.900 -0.024 0.000 1.033 189 Y CA -2.410 55.649 58.100 -0.068 0.000 1.094 189 Y CB 0.560 38.989 38.460 -0.052 0.000 1.210 189 Y HN -0.076 nan 8.280 nan 0.000 0.456 190 D N 3.604 124.128 120.400 0.206 0.000 2.736 190 D HA 0.168 4.808 4.640 0.000 0.000 0.293 190 D C 1.189 177.528 176.300 0.066 0.000 1.241 190 D CA 0.006 54.061 54.000 0.090 0.000 0.965 190 D CB 0.165 41.007 40.800 0.071 0.000 0.992 190 D HN 0.431 nan 8.370 nan 0.000 0.510 191 I N 1.354 121.958 120.570 0.057 0.000 2.141 191 I HA -0.396 3.775 4.170 0.000 0.000 0.243 191 I C 2.397 178.494 176.117 -0.033 0.000 1.035 191 I CA 1.504 62.805 61.300 0.002 0.000 1.302 191 I CB -1.522 36.455 38.000 -0.039 0.000 1.006 191 I HN 0.272 nan 8.210 nan 0.000 0.413 192 A N 0.255 123.050 122.820 -0.042 0.000 1.873 192 A HA -0.287 4.033 4.320 0.000 0.000 0.218 192 A C 2.355 179.895 177.584 -0.073 0.000 1.193 192 A CA 2.450 54.454 52.037 -0.056 0.000 0.629 192 A CB -0.561 18.409 19.000 -0.050 0.000 0.826 192 A HN 0.293 nan 8.150 nan 0.000 0.447 193 K N 0.029 120.397 120.400 -0.054 0.000 1.973 193 K HA -0.054 4.267 4.320 0.000 0.000 0.210 193 K C 1.878 178.398 176.600 -0.133 0.000 1.045 193 K CA 1.583 57.824 56.287 -0.077 0.000 0.937 193 K CB -0.722 31.778 32.500 0.001 0.000 0.721 193 K HN 0.693 nan 8.250 nan 0.000 0.438 194 I N -1.437 119.108 120.570 -0.042 0.000 2.623 194 I HA -0.213 3.957 4.170 0.000 0.000 0.261 194 I C 1.366 177.420 176.117 -0.105 0.000 1.204 194 I CA 1.507 62.778 61.300 -0.049 0.000 1.444 194 I CB -0.250 37.719 38.000 -0.052 0.000 1.094 194 I HN -0.099 nan 8.210 nan 0.000 0.451 195 S N 0.703 116.336 115.700 -0.113 0.000 2.453 195 S HA -0.086 4.384 4.470 0.000 0.000 0.231 195 S C 1.878 176.398 174.600 -0.133 0.000 1.005 195 S CA 1.026 59.167 58.200 -0.097 0.000 0.949 195 S CB -0.134 63.023 63.200 -0.071 0.000 0.774 195 S HN 0.647 nan 8.310 nan 0.000 0.510 196 Q N 0.100 119.746 119.800 -0.256 0.000 2.062 196 Q HA -0.038 4.302 4.340 0.000 0.000 0.196 196 Q C 1.735 177.577 176.000 -0.263 0.000 0.967 196 Q CA 0.999 56.618 55.803 -0.306 0.000 0.832 196 Q CB -0.211 28.240 28.738 -0.479 0.000 0.899 196 Q HN 0.614 nan 8.270 nan 0.000 0.442 197 H N 0.228 119.261 119.070 -0.062 0.000 2.403 197 H HA 0.094 4.650 4.556 0.000 0.000 0.298 197 H C 0.763 176.037 175.328 -0.091 0.000 1.059 197 H CA 0.462 56.461 56.048 -0.082 0.000 1.363 197 H CB -0.128 29.565 29.762 -0.116 0.000 1.410 197 H HN 0.129 nan 8.280 nan 0.000 0.528 198 L N 1.869 123.084 121.223 -0.013 0.000 2.397 198 L HA -0.004 4.336 4.340 0.000 0.000 0.271 198 L C 1.383 178.236 176.870 -0.028 0.000 1.148 198 L CA -0.179 54.622 54.840 -0.065 0.000 0.825 198 L CB 0.858 42.851 42.059 -0.110 0.000 1.117 198 L HN 0.048 nan 8.230 nan 0.000 0.456 199 D N 1.914 122.292 120.400 -0.036 0.000 2.234 199 D HA -0.001 4.639 4.640 0.000 0.000 0.205 199 D C -0.237 176.187 176.300 0.206 0.000 0.962 199 D CA 1.328 55.379 54.000 0.084 0.000 0.855 199 D CB 0.335 41.222 40.800 0.145 0.000 0.951 199 D HN 0.342 nan 8.370 nan 0.000 0.500 200 F N -0.443 119.521 119.950 0.025 0.000 2.725 200 F HA 0.357 4.884 4.527 0.000 0.000 0.311 200 F C -1.786 174.027 175.800 0.021 0.000 1.121 200 F CA -1.705 56.303 58.000 0.013 0.000 0.978 200 F CB 0.290 39.284 39.000 -0.009 0.000 1.274 200 F HN -0.258 nan 8.300 nan 0.000 0.440 201 I N 0.706 121.424 120.570 0.247 0.000 2.433 201 I HA 0.717 4.887 4.170 0.000 0.000 0.292 201 I C -0.788 175.495 176.117 0.275 0.000 1.001 201 I CA -0.858 60.532 61.300 0.151 0.000 1.119 201 I CB 1.970 39.992 38.000 0.036 0.000 1.289 201 I HN 0.574 nan 8.210 nan 0.000 0.438 202 S N 6.897 122.776 115.700 0.298 0.000 2.410 202 S HA 0.427 4.897 4.470 0.000 0.000 0.304 202 S C -0.156 174.566 174.600 0.204 0.000 1.095 202 S CA -0.477 57.916 58.200 0.321 0.000 1.089 202 S CB 0.677 64.163 63.200 0.477 0.000 0.968 202 S HN 0.625 nan 8.310 nan 0.000 0.480 203 I N 4.528 125.192 120.570 0.157 0.000 2.337 203 I HA 0.228 4.398 4.170 0.000 0.000 0.291 203 I C 0.062 176.191 176.117 0.019 0.000 1.046 203 I CA -0.627 60.729 61.300 0.093 0.000 1.324 203 I CB 0.456 38.520 38.000 0.107 0.000 1.409 203 I HN 0.633 nan 8.210 nan 0.000 0.494 204 M N 7.307 126.845 119.600 -0.103 0.000 3.593 204 M HA 0.037 4.517 4.480 0.000 0.000 0.204 204 M C 0.621 176.409 176.300 -0.853 0.000 1.569 204 M CA 0.059 55.033 55.300 -0.544 0.000 1.694 204 M CB -0.699 31.658 32.600 -0.406 0.000 1.149 204 M HN 0.585 nan 8.290 nan 0.000 0.552 205 T N 0.147 114.411 114.554 -0.484 0.000 4.508 205 T HA 0.265 4.615 4.350 0.000 0.000 0.232 205 T C -0.507 174.093 174.700 -0.168 0.000 1.027 205 T CA -0.271 61.711 62.100 -0.197 0.000 0.999 205 T CB -1.067 67.905 68.868 0.173 0.000 1.402 205 T HN 0.530 nan 8.240 nan 0.000 1.003 206 Y N -2.860 117.227 120.300 -0.354 0.000 2.853 206 Y HA 0.552 5.103 4.550 0.000 0.000 0.326 206 Y C -0.255 175.509 175.900 -0.227 0.000 1.384 206 Y CA -1.888 56.114 58.100 -0.162 0.000 1.077 206 Y CB -0.041 38.490 38.460 0.118 0.000 1.395 206 Y HN 0.116 nan 8.280 nan 0.000 0.451 207 D N -0.317 120.471 120.400 0.647 0.000 2.870 207 D HA -0.193 4.447 4.640 0.000 0.000 0.228 207 D C 0.140 176.572 176.300 0.220 0.000 1.147 207 D CA 1.038 55.281 54.000 0.406 0.000 0.757 207 D CB -1.182 39.797 40.800 0.300 0.000 1.091 207 D HN 0.542 nan 8.370 nan 0.000 0.429 208 F N -0.551 119.619 119.950 0.367 0.000 2.710 208 F HA 0.055 4.582 4.527 0.000 0.000 0.298 208 F C 1.325 177.299 175.800 0.290 0.000 1.137 208 F CA 0.528 58.690 58.000 0.269 0.000 1.444 208 F CB 0.190 39.314 39.000 0.207 0.000 1.111 208 F HN 0.071 nan 8.300 nan 0.000 0.580 209 H N -0.583 118.712 119.070 0.376 0.000 3.092 209 H HA 0.523 5.079 4.556 0.000 0.000 0.308 209 H C 0.249 175.705 175.328 0.213 0.000 1.047 209 H CA -0.695 55.474 56.048 0.201 0.000 1.466 209 H CB 0.440 30.319 29.762 0.195 0.000 1.597 209 H HN 0.086 nan 8.280 nan 0.000 0.512 210 G N 1.423 110.087 108.800 -0.226 0.000 2.547 210 G HA2 0.424 4.385 3.960 0.000 0.000 0.291 210 G HA3 0.424 4.385 3.960 0.000 0.000 0.291 210 G C 0.729 175.556 174.900 -0.122 0.000 1.211 210 G CA -0.164 44.906 45.100 -0.051 0.000 0.950 210 G HN 0.732 nan 8.290 nan 0.000 0.504 211 A N -0.205 122.742 122.820 0.211 0.000 2.167 211 A HA 0.062 4.382 4.320 0.000 0.000 0.214 211 A C 1.779 179.370 177.584 0.011 0.000 1.151 211 A CA 1.172 53.365 52.037 0.261 0.000 0.735 211 A CB -0.588 18.594 19.000 0.304 0.000 0.802 211 A HN 0.880 nan 8.150 nan 0.000 0.467 212 W N 0.604 121.894 121.300 -0.017 0.000 2.519 212 W HA -0.066 4.594 4.660 0.000 0.000 0.266 212 W C 0.957 177.412 176.519 -0.107 0.000 1.253 212 W CA 0.650 57.962 57.345 -0.055 0.000 1.274 212 W CB -0.542 28.889 29.460 -0.048 0.000 1.114 212 W HN 0.319 nan 8.180 nan 0.000 0.596 213 R N 1.178 121.078 120.500 -0.999 0.000 2.323 213 R HA 0.157 4.497 4.340 0.000 0.000 0.198 213 R C 1.852 177.888 176.300 -0.440 0.000 0.988 213 R CA 0.660 56.215 56.100 -0.909 0.000 1.041 213 R CB -0.790 28.721 30.300 -1.314 0.000 0.926 213 R HN 0.269 nan 8.270 nan 0.000 0.476 214 G N 1.788 110.397 108.800 -0.318 0.000 2.180 214 G HA2 -0.346 3.614 3.960 0.000 0.000 0.263 214 G HA3 -0.346 3.614 3.960 0.000 0.000 0.263 214 G C 0.244 174.974 174.900 -0.282 0.000 0.989 214 G CA 1.096 46.064 45.100 -0.220 0.000 0.692 214 G HN 0.537 nan 8.290 nan 0.000 0.526 215 T N -2.834 111.482 114.554 -0.397 0.000 2.883 215 T HA 0.696 5.046 4.350 0.000 0.000 0.301 215 T C 0.050 174.313 174.700 -0.728 0.000 1.158 215 T CA 0.311 62.144 62.100 -0.445 0.000 1.007 215 T CB 1.717 70.392 68.868 -0.321 0.000 1.186 215 T HN 1.251 nan 8.240 nan 0.000 0.499 216 T N -0.700 113.266 114.554 -0.980 0.000 2.926 216 T HA 0.586 4.936 4.350 0.000 0.000 0.307 216 T C 0.566 174.513 174.700 -1.254 0.000 1.059 216 T CA -0.113 61.035 62.100 -1.587 0.000 1.122 216 T CB 0.376 67.916 68.868 -2.212 0.000 0.972 216 T HN 1.540 nan 8.240 nan 0.000 0.545 217 G N 0.746 108.881 108.800 -1.109 0.000 2.716 217 G HA2 0.342 4.302 3.960 0.000 0.000 0.299 217 G HA3 0.342 4.302 3.960 0.000 0.000 0.299 217 G C -1.342 173.575 174.900 0.028 0.000 1.450 217 G CA -0.866 43.689 45.100 -0.908 0.000 0.968 217 G HN 0.992 nan 8.290 nan 0.000 0.566 218 H N 1.107 120.277 119.070 0.165 0.000 2.848 218 H HA 0.078 4.634 4.556 0.000 0.000 0.317 218 H C 1.531 177.044 175.328 0.308 0.000 1.046 218 H CA 0.706 56.965 56.048 0.350 0.000 1.470 218 H CB 1.042 30.935 29.762 0.219 0.000 1.483 218 H HN 0.833 nan 8.280 nan 0.000 0.548 219 H N 1.424 120.673 119.070 0.299 0.000 2.555 219 H HA 0.114 4.670 4.556 0.000 0.000 0.269 219 H C 0.248 175.890 175.328 0.523 0.000 0.988 219 H CA 0.474 56.763 56.048 0.403 0.000 1.178 219 H CB 0.573 30.493 29.762 0.263 0.000 1.373 219 H HN 0.239 nan 8.280 nan 0.000 0.588 220 S N 1.254 117.018 115.700 0.106 0.000 2.407 220 S HA 0.304 4.774 4.470 0.000 0.000 0.166 220 S C -2.966 171.682 174.600 0.080 0.000 1.445 220 S CA -1.303 56.979 58.200 0.136 0.000 1.260 220 S CB -0.023 63.043 63.200 -0.223 0.000 1.401 220 S HN 0.168 nan 8.310 nan 0.000 0.379 221 P HA 0.200 nan 4.420 nan 0.000 0.278 221 P C 0.799 177.946 177.300 -0.256 0.000 1.238 221 P CA -0.649 62.332 63.100 -0.197 0.000 0.794 221 P CB 0.794 32.423 31.700 -0.117 0.000 0.955 222 L N 2.734 123.751 121.223 -0.343 0.000 2.044 222 L HA 0.188 4.528 4.340 0.000 0.000 0.205 222 L C 0.270 176.593 176.870 -0.911 0.000 1.075 222 L CA 1.850 56.299 54.840 -0.652 0.000 0.747 222 L CB -0.689 40.975 42.059 -0.660 0.000 0.903 222 L HN 0.238 nan 8.230 nan 0.000 0.435 223 F N -2.166 117.664 119.950 -0.200 0.000 2.661 223 F HA 0.412 4.939 4.527 0.000 0.000 0.347 223 F C 1.668 177.383 175.800 -0.141 0.000 1.086 223 F CA -0.750 57.159 58.000 -0.151 0.000 1.016 223 F CB 0.571 39.515 39.000 -0.093 0.000 1.368 223 F HN -0.320 nan 8.300 nan 0.000 0.505 224 R N 0.611 121.171 120.500 0.100 0.000 2.120 224 R HA 0.183 4.523 4.340 0.000 0.000 0.234 224 R C 0.886 177.178 176.300 -0.013 0.000 1.123 224 R CA 1.347 57.435 56.100 -0.020 0.000 0.975 224 R CB -0.536 29.738 30.300 -0.045 0.000 0.866 224 R HN 1.009 nan 8.270 nan 0.000 0.446 225 G N 0.127 108.946 108.800 0.031 0.000 2.593 225 G HA2 -0.377 3.583 3.960 0.000 0.000 0.237 225 G HA3 -0.377 3.583 3.960 0.000 0.000 0.237 225 G C -0.972 173.913 174.900 -0.026 0.000 1.312 225 G CA 0.099 45.201 45.100 0.005 0.000 0.896 225 G HN 0.539 nan 8.290 nan 0.000 0.574 226 Q N 0.403 120.187 119.800 -0.028 0.000 2.269 226 Q HA 0.087 4.427 4.340 0.000 0.000 0.300 226 Q C 1.525 177.492 176.000 -0.055 0.000 1.070 226 Q CA 0.956 56.736 55.803 -0.038 0.000 0.957 226 Q CB 0.318 29.037 28.738 -0.032 0.000 1.131 226 Q HN 0.648 nan 8.270 nan 0.000 0.377 227 E N 3.399 123.565 120.200 -0.057 0.000 2.038 227 E HA -0.272 4.078 4.350 0.000 0.000 0.195 227 E C 0.736 177.289 176.600 -0.079 0.000 1.000 227 E CA 1.850 58.207 56.400 -0.071 0.000 0.803 227 E CB 0.247 29.909 29.700 -0.064 0.000 0.750 227 E HN 0.753 nan 8.360 nan 0.000 0.448 228 D N 0.063 120.423 120.400 -0.067 0.000 2.104 228 D HA -0.161 4.479 4.640 0.000 0.000 0.194 228 D C 1.446 177.697 176.300 -0.082 0.000 0.994 228 D CA 1.362 55.321 54.000 -0.069 0.000 0.830 228 D CB -0.302 40.464 40.800 -0.057 0.000 0.959 228 D HN 0.203 nan 8.370 nan 0.000 0.452 229 A N 0.345 123.116 122.820 -0.081 0.000 2.265 229 A HA 0.165 4.485 4.320 0.000 0.000 0.213 229 A C 0.617 178.127 177.584 -0.123 0.000 1.255 229 A CA 0.159 52.136 52.037 -0.100 0.000 0.862 229 A CB -0.368 18.582 19.000 -0.084 0.000 0.852 229 A HN 0.189 nan 8.150 nan 0.000 0.484 230 S N -1.589 114.040 115.700 -0.119 0.000 2.538 230 S HA 0.667 5.137 4.470 0.000 0.000 0.288 230 S C -2.164 172.358 174.600 -0.130 0.000 1.108 230 S CA -1.110 57.011 58.200 -0.132 0.000 0.971 230 S CB 2.001 65.120 63.200 -0.135 0.000 1.041 230 S HN 0.019 nan 8.310 nan 0.000 0.483 231 P HA 0.109 nan 4.420 nan 0.000 0.199 231 P C -0.093 177.117 177.300 -0.150 0.000 1.169 231 P CA 0.657 63.697 63.100 -0.100 0.000 0.900 231 P CB -0.161 31.506 31.700 -0.055 0.000 0.733 232 D N -0.965 119.338 120.400 -0.161 0.000 2.372 232 D HA 0.002 4.642 4.640 0.000 0.000 0.243 232 D C 1.149 177.141 176.300 -0.514 0.000 1.297 232 D CA 0.086 53.886 54.000 -0.332 0.000 0.958 232 D CB 0.538 41.214 40.800 -0.205 0.000 1.114 232 D HN 0.036 nan 8.370 nan 0.000 0.496 233 R N -0.041 119.850 120.500 -1.014 0.000 2.335 233 R HA 0.027 4.367 4.340 0.000 0.000 0.210 233 R C 0.600 176.326 176.300 -0.958 0.000 0.892 233 R CA 0.266 55.818 56.100 -0.914 0.000 1.048 233 R CB 0.182 29.866 30.300 -1.026 0.000 1.067 233 R HN 0.336 nan 8.270 nan 0.000 0.524 234 F N -1.018 118.599 119.950 -0.556 0.000 2.683 234 F HA 0.473 5.000 4.527 0.000 0.000 0.306 234 F C 0.229 175.780 175.800 -0.415 0.000 1.102 234 F CA -0.705 56.834 58.000 -0.769 0.000 1.244 234 F CB 0.738 38.992 39.000 -1.244 0.000 1.029 234 F HN -0.204 nan 8.300 nan 0.000 0.545 235 S N 2.213 117.786 115.700 -0.212 0.000 3.513 235 S HA 0.261 4.731 4.470 0.000 0.000 0.209 235 S C -0.354 173.752 174.600 -0.822 0.000 1.446 235 S CA -0.463 57.564 58.200 -0.288 0.000 1.150 235 S CB -1.211 62.026 63.200 0.062 0.000 1.266 235 S HN 0.645 nan 8.310 nan 0.000 0.502 236 N N -2.347 115.622 118.700 -1.219 0.000 2.710 236 N HA 0.303 5.043 4.740 0.000 0.000 0.257 236 N C 0.420 175.445 175.510 -0.807 0.000 1.327 236 N CA -0.884 51.582 53.050 -0.973 0.000 0.861 236 N CB 0.250 38.501 38.487 -0.393 0.000 1.532 236 N HN -0.190 nan 8.380 nan 0.000 0.499 237 T N -0.601 113.708 114.554 -0.408 0.000 2.652 237 T HA -0.241 4.109 4.350 0.000 0.000 0.267 237 T C 1.030 175.601 174.700 -0.214 0.000 1.039 237 T CA 2.111 64.129 62.100 -0.136 0.000 1.153 237 T CB -0.664 68.079 68.868 -0.208 0.000 0.863 237 T HN 0.804 nan 8.240 nan 0.000 0.428 238 D N -0.046 120.089 120.400 -0.442 0.000 2.126 238 D HA -0.209 4.431 4.640 0.000 0.000 0.190 238 D C 1.876 178.204 176.300 0.046 0.000 1.001 238 D CA 1.476 55.305 54.000 -0.286 0.000 0.841 238 D CB -0.409 40.241 40.800 -0.250 0.000 0.949 238 D HN 0.504 nan 8.370 nan 0.000 0.446 239 Y N 0.651 120.928 120.300 -0.038 0.000 2.097 239 Y HA -0.197 4.353 4.550 0.000 0.000 0.282 239 Y C 2.264 178.243 175.900 0.132 0.000 1.152 239 Y CA 2.342 60.476 58.100 0.057 0.000 1.136 239 Y CB -0.853 37.621 38.460 0.023 0.000 0.975 239 Y HN 0.075 nan 8.280 nan 0.000 0.498 240 A N -0.246 122.691 122.820 0.194 0.000 1.859 240 A HA -0.234 4.086 4.320 0.000 0.000 0.217 240 A C 2.365 180.031 177.584 0.138 0.000 1.198 240 A CA 2.601 54.778 52.037 0.232 0.000 0.629 240 A CB -1.510 17.719 19.000 0.381 0.000 0.830 240 A HN 0.369 nan 8.150 nan 0.000 0.446 241 V N -0.068 119.929 119.914 0.137 0.000 2.252 241 V HA -0.265 3.856 4.120 0.000 0.000 0.249 241 V C 2.827 178.976 176.094 0.092 0.000 1.056 241 V CA 2.307 64.695 62.300 0.147 0.000 1.022 241 V CB -1.588 30.391 31.823 0.261 0.000 0.641 241 V HN 0.659 nan 8.190 nan 0.000 0.445 242 G N -2.007 106.837 108.800 0.073 0.000 2.422 242 G HA2 -0.318 3.642 3.960 0.000 0.000 0.218 242 G HA3 -0.318 3.642 3.960 0.000 0.000 0.218 242 G C 1.545 176.426 174.900 -0.032 0.000 1.146 242 G CA 1.048 46.161 45.100 0.022 0.000 0.769 242 G HN 0.522 nan 8.290 nan 0.000 0.547 243 Y N 0.633 120.739 120.300 -0.322 0.000 2.145 243 Y HA -0.018 4.532 4.550 0.000 0.000 0.286 243 Y C 2.815 178.638 175.900 -0.127 0.000 1.145 243 Y CA 1.820 59.715 58.100 -0.341 0.000 1.148 243 Y CB -0.297 37.841 38.460 -0.537 0.000 0.981 243 Y HN 0.193 nan 8.280 nan 0.000 0.507 244 M N -0.917 118.644 119.600 -0.064 0.000 2.159 244 M HA -0.199 4.281 4.480 0.000 0.000 0.263 244 M C 2.005 178.248 176.300 -0.096 0.000 1.063 244 M CA 1.479 56.718 55.300 -0.100 0.000 1.110 244 M CB -0.225 32.382 32.600 0.013 0.000 1.374 244 M HN 0.319 nan 8.290 nan 0.000 0.411 245 L N -0.958 120.235 121.223 -0.051 0.000 2.083 245 L HA -0.223 4.117 4.340 0.000 0.000 0.209 245 L C 2.434 179.265 176.870 -0.066 0.000 1.083 245 L CA 1.276 56.093 54.840 -0.038 0.000 0.752 245 L CB -0.504 41.550 42.059 -0.009 0.000 0.899 245 L HN 0.223 nan 8.230 nan 0.000 0.433 246 R N -0.135 120.308 120.500 -0.095 0.000 2.092 246 R HA -0.045 4.295 4.340 0.000 0.000 0.231 246 R C 2.059 178.270 176.300 -0.149 0.000 1.119 246 R CA 0.956 56.996 56.100 -0.100 0.000 0.970 246 R CB -0.172 30.081 30.300 -0.079 0.000 0.864 246 R HN 0.263 nan 8.270 nan 0.000 0.440 247 L N -0.672 120.405 121.223 -0.244 0.000 2.622 247 L HA 0.087 4.427 4.340 0.000 0.000 0.233 247 L C 0.888 177.681 176.870 -0.127 0.000 1.156 247 L CA 0.845 55.548 54.840 -0.227 0.000 0.866 247 L CB 0.017 41.875 42.059 -0.334 0.000 0.980 247 L HN 0.603 nan 8.230 nan 0.000 0.448 248 G N -0.608 108.134 108.800 -0.095 0.000 2.192 248 G HA2 -0.162 3.798 3.960 0.000 0.000 0.193 248 G HA3 -0.162 3.798 3.960 0.000 0.000 0.193 248 G C 0.275 175.142 174.900 -0.055 0.000 0.999 248 G CA -0.179 44.880 45.100 -0.067 0.000 0.659 248 G HN 0.391 nan 8.290 nan 0.000 0.503 249 A N 1.135 123.924 122.820 -0.052 0.000 2.347 249 A HA 0.700 5.020 4.320 0.000 0.000 0.287 249 A C -1.903 175.673 177.584 -0.014 0.000 1.199 249 A CA -1.042 50.977 52.037 -0.030 0.000 0.851 249 A CB 0.247 19.235 19.000 -0.020 0.000 1.118 249 A HN 0.112 nan 8.150 nan 0.000 0.525 250 P HA 0.194 nan 4.420 nan 0.000 0.271 250 P C 0.916 178.229 177.300 0.021 0.000 1.220 250 P CA 0.369 63.471 63.100 0.003 0.000 0.768 250 P CB 1.197 32.898 31.700 0.003 0.000 0.848 251 A N 3.493 126.326 122.820 0.021 0.000 1.940 251 A HA -0.211 4.110 4.320 0.000 0.000 0.219 251 A C 2.098 179.714 177.584 0.054 0.000 1.176 251 A CA 2.312 54.370 52.037 0.035 0.000 0.631 251 A CB -1.568 17.447 19.000 0.026 0.000 0.814 251 A HN 0.593 nan 8.150 nan 0.000 0.446 252 S N -0.781 114.947 115.700 0.047 0.000 2.474 252 S HA -0.062 4.408 4.470 0.000 0.000 0.235 252 S C 1.405 176.046 174.600 0.069 0.000 0.997 252 S CA 1.439 59.671 58.200 0.053 0.000 0.949 252 S CB -0.184 63.037 63.200 0.034 0.000 0.766 252 S HN 0.610 nan 8.310 nan 0.000 0.517 253 K N -0.048 120.397 120.400 0.074 0.000 2.373 253 K HA 0.368 4.688 4.320 0.000 0.000 0.202 253 K C -0.770 175.912 176.600 0.136 0.000 1.025 253 K CA -0.249 56.105 56.287 0.112 0.000 1.115 253 K CB 0.391 32.941 32.500 0.083 0.000 0.858 253 K HN 0.233 nan 8.250 nan 0.000 0.525 254 L N 1.628 122.914 121.223 0.104 0.000 2.280 254 L HA 0.283 4.623 4.340 0.000 0.000 0.287 254 L C -1.007 175.928 176.870 0.109 0.000 1.023 254 L CA -0.638 54.268 54.840 0.110 0.000 0.819 254 L CB 1.470 43.578 42.059 0.082 0.000 1.212 254 L HN -0.249 nan 8.230 nan 0.000 0.420 255 V N 6.101 126.097 119.914 0.138 0.000 2.370 255 V HA 0.395 4.515 4.120 0.000 0.000 0.283 255 V C 0.321 176.501 176.094 0.144 0.000 1.023 255 V CA -0.541 61.821 62.300 0.104 0.000 0.857 255 V CB 1.452 33.311 31.823 0.059 0.000 0.985 255 V HN 0.802 nan 8.190 nan 0.000 0.443 256 M N 4.190 123.866 119.600 0.127 0.000 2.120 256 M HA 0.479 4.960 4.480 0.000 0.000 0.354 256 M C 0.719 177.131 176.300 0.187 0.000 1.287 256 M CA -0.156 55.233 55.300 0.149 0.000 1.103 256 M CB 0.540 33.224 32.600 0.140 0.000 1.623 256 M HN 0.829 nan 8.290 nan 0.000 0.471 257 G N 6.324 115.258 108.800 0.223 0.000 2.378 257 G HA2 0.460 4.420 3.960 0.000 0.000 0.255 257 G HA3 0.460 4.420 3.960 0.000 0.000 0.255 257 G C -0.681 174.451 174.900 0.386 0.000 1.270 257 G CA -0.497 44.821 45.100 0.362 0.000 0.876 257 G HN 0.808 nan 8.290 nan 0.000 0.521 258 I N 4.761 125.560 120.570 0.381 0.000 2.418 258 I HA 0.305 4.475 4.170 0.000 0.000 0.287 258 I C -2.139 174.126 176.117 0.246 0.000 1.008 258 I CA -2.295 59.162 61.300 0.261 0.000 1.104 258 I CB 3.139 41.230 38.000 0.152 0.000 1.264 258 I HN 0.335 nan 8.210 nan 0.000 0.438 259 P HA 0.194 nan 4.420 nan 0.000 0.286 259 P C 0.117 177.394 177.300 -0.038 0.000 1.261 259 P CA -0.317 62.719 63.100 -0.107 0.000 0.821 259 P CB 1.451 32.729 31.700 -0.702 0.000 1.013 260 T N -0.969 113.670 114.554 0.140 0.000 3.176 260 T HA 0.381 4.731 4.350 0.000 0.000 0.263 260 T C 0.227 175.071 174.700 0.240 0.000 1.021 260 T CA -0.352 61.834 62.100 0.142 0.000 0.905 260 T CB -1.019 67.954 68.868 0.176 0.000 1.057 260 T HN 0.391 nan 8.240 nan 0.000 0.558 261 F N -0.840 119.189 119.950 0.132 0.000 2.603 261 F HA 0.916 5.443 4.527 0.000 0.000 0.317 261 F C -0.103 175.783 175.800 0.144 0.000 1.066 261 F CA -1.835 56.210 58.000 0.075 0.000 0.941 261 F CB 1.046 40.042 39.000 -0.006 0.000 1.291 261 F HN 0.070 nan 8.300 nan 0.000 0.472 262 G N 1.049 109.904 108.800 0.092 0.000 2.511 262 G HA2 0.613 4.574 3.960 0.000 0.000 0.318 262 G HA3 0.613 4.574 3.960 0.000 0.000 0.318 262 G C -1.367 173.472 174.900 -0.102 0.000 1.210 262 G CA -1.246 43.874 45.100 0.033 0.000 0.969 262 G HN 0.569 nan 8.290 nan 0.000 0.484 263 R N 0.365 120.721 120.500 -0.241 0.000 2.265 263 R HA 0.485 4.825 4.340 0.000 0.000 0.319 263 R C 0.221 176.259 176.300 -0.436 0.000 1.006 263 R CA -0.405 55.484 56.100 -0.352 0.000 0.880 263 R CB 1.332 31.413 30.300 -0.364 0.000 1.077 263 R HN 0.698 nan 8.270 nan 0.000 0.454 264 S N 2.087 117.474 115.700 -0.521 0.000 2.651 264 S HA 0.801 5.271 4.470 0.000 0.000 0.291 264 S C -0.481 173.669 174.600 -0.749 0.000 1.141 264 S CA -0.579 57.336 58.200 -0.474 0.000 1.027 264 S CB 1.259 64.296 63.200 -0.272 0.000 1.043 264 S HN 0.334 nan 8.310 nan 0.000 0.530 265 F N -0.745 119.290 119.950 0.142 0.000 2.613 265 F HA 0.500 5.027 4.527 0.000 0.000 0.310 265 F C 0.123 175.986 175.800 0.106 0.000 1.085 265 F CA -0.791 57.262 58.000 0.089 0.000 0.945 265 F CB 2.143 41.161 39.000 0.030 0.000 1.298 265 F HN 0.496 nan 8.300 nan 0.000 0.455 266 T N 3.707 118.418 114.554 0.262 0.000 2.753 266 T HA 0.511 4.861 4.350 0.000 0.000 0.297 266 T C 0.090 174.878 174.700 0.147 0.000 0.981 266 T CA -0.506 61.704 62.100 0.183 0.000 0.956 266 T CB 0.118 69.059 68.868 0.121 0.000 0.936 266 T HN 0.300 nan 8.240 nan 0.000 0.463 267 L N 2.040 123.359 121.223 0.160 0.000 2.492 267 L HA 0.279 4.619 4.340 0.000 0.000 0.280 267 L C 1.310 178.214 176.870 0.057 0.000 1.240 267 L CA -0.245 54.650 54.840 0.091 0.000 0.831 267 L CB 0.232 42.375 42.059 0.140 0.000 1.100 267 L HN 0.724 nan 8.230 nan 0.000 0.505 268 A N 0.758 123.588 122.820 0.015 0.000 2.508 268 A HA 0.363 4.683 4.320 0.000 0.000 0.250 268 A C 0.468 178.057 177.584 0.010 0.000 1.208 268 A CA 0.498 52.541 52.037 0.010 0.000 0.960 268 A CB 0.213 19.205 19.000 -0.013 0.000 1.099 268 A HN 0.756 nan 8.150 nan 0.000 0.542 269 S N -1.724 113.985 115.700 0.016 0.000 2.800 269 S HA 0.375 4.845 4.470 0.000 0.000 0.293 269 S C 0.774 175.397 174.600 0.038 0.000 1.209 269 S CA 0.523 58.733 58.200 0.017 0.000 0.884 269 S CB 0.378 63.576 63.200 -0.003 0.000 1.244 269 S HN 0.722 nan 8.310 nan 0.000 0.540 270 S N -0.563 115.158 115.700 0.035 0.000 2.527 270 S HA 0.179 4.649 4.470 0.000 0.000 0.222 270 S C 0.213 174.847 174.600 0.057 0.000 0.985 270 S CA -0.030 58.200 58.200 0.051 0.000 0.921 270 S CB -0.744 62.480 63.200 0.040 0.000 0.772 270 S HN 0.694 nan 8.310 nan 0.000 0.529 271 E N 2.091 122.311 120.200 0.033 0.000 2.324 271 E HA 0.205 4.556 4.350 0.000 0.000 0.271 271 E C 0.565 177.199 176.600 0.056 0.000 1.028 271 E CA 0.377 56.790 56.400 0.023 0.000 0.890 271 E CB 0.773 30.458 29.700 -0.025 0.000 1.004 271 E HN 0.561 nan 8.360 nan 0.000 0.431 272 T N -0.623 114.000 114.554 0.115 0.000 3.043 272 T HA 0.245 4.595 4.350 0.000 0.000 0.272 272 T C 0.776 175.682 174.700 0.344 0.000 0.990 272 T CA -0.295 61.971 62.100 0.276 0.000 0.897 272 T CB 0.570 69.647 68.868 0.347 0.000 1.111 272 T HN 0.362 nan 8.240 nan 0.000 0.529 273 G N 1.233 110.105 108.800 0.120 0.000 2.563 273 G HA2 0.518 4.479 3.960 0.000 0.000 0.283 273 G HA3 0.518 4.479 3.960 0.000 0.000 0.283 273 G C -0.318 174.498 174.900 -0.140 0.000 1.309 273 G CA -0.608 44.537 45.100 0.075 0.000 1.022 273 G HN 0.307 nan 8.290 nan 0.000 0.501 274 V N 0.543 120.369 119.914 -0.147 0.000 2.673 274 V HA 0.391 4.512 4.120 0.000 0.000 0.303 274 V C 1.621 177.519 176.094 -0.325 0.000 1.046 274 V CA 1.784 63.914 62.300 -0.282 0.000 1.126 274 V CB 0.532 32.286 31.823 -0.115 0.000 0.934 274 V HN 1.833 nan 8.190 nan 0.000 0.487 275 G N 3.369 111.884 108.800 -0.474 0.000 2.159 275 G HA2 -0.112 3.848 3.960 0.000 0.000 0.256 275 G HA3 -0.112 3.848 3.960 0.000 0.000 0.256 275 G C 0.383 175.081 174.900 -0.337 0.000 0.977 275 G CA 0.204 45.084 45.100 -0.368 0.000 0.652 275 G HN 1.512 nan 8.290 nan 0.000 0.531 276 A N 0.390 122.965 122.820 -0.408 0.000 2.386 276 A HA 0.694 5.015 4.320 0.000 0.000 0.248 276 A C -1.603 175.791 177.584 -0.316 0.000 1.082 276 A CA -0.774 51.080 52.037 -0.305 0.000 0.789 276 A CB 0.335 19.169 19.000 -0.276 0.000 1.025 276 A HN 0.178 nan 8.150 nan 0.000 0.490 277 P HA 0.327 nan 4.420 nan 0.000 0.268 277 P C -0.606 176.596 177.300 -0.164 0.000 1.205 277 P CA 0.311 63.309 63.100 -0.169 0.000 0.771 277 P CB 0.407 32.045 31.700 -0.102 0.000 0.858 278 I N -1.317 119.159 120.570 -0.156 0.000 2.828 278 I HA 0.523 4.693 4.170 0.000 0.000 0.302 278 I C 0.596 176.690 176.117 -0.038 0.000 1.101 278 I CA -0.774 60.469 61.300 -0.095 0.000 1.031 278 I CB 2.603 40.521 38.000 -0.136 0.000 1.231 278 I HN 0.191 nan 8.210 nan 0.000 0.427 279 S N 2.151 117.858 115.700 0.011 0.000 2.517 279 S HA 0.673 5.143 4.470 0.000 0.000 0.214 279 S C 0.704 175.328 174.600 0.040 0.000 0.991 279 S CA 0.254 58.467 58.200 0.021 0.000 0.906 279 S CB -0.034 63.185 63.200 0.031 0.000 0.789 279 S HN 1.533 nan 8.310 nan 0.000 0.513 280 G N 0.718 109.560 108.800 0.069 0.000 2.351 280 G HA2 0.367 4.327 3.960 0.000 0.000 0.279 280 G HA3 0.367 4.327 3.960 0.000 0.000 0.279 280 G C -3.515 171.477 174.900 0.153 0.000 1.297 280 G CA -0.845 44.312 45.100 0.095 0.000 0.886 280 G HN 0.118 nan 8.290 nan 0.000 0.493 281 P HA 0.400 nan 4.420 nan 0.000 0.271 281 P C 0.707 178.032 177.300 0.042 0.000 1.233 281 P CA 0.639 63.777 63.100 0.063 0.000 0.789 281 P CB 0.491 32.199 31.700 0.012 0.000 0.951 282 G N 0.948 109.726 108.800 -0.037 0.000 2.572 282 G HA2 0.314 4.274 3.960 0.000 0.000 0.261 282 G HA3 0.314 4.274 3.960 0.000 0.000 0.261 282 G C -0.240 174.653 174.900 -0.012 0.000 1.197 282 G CA -0.468 44.624 45.100 -0.013 0.000 0.870 282 G HN 0.371 nan 8.290 nan 0.000 0.548 283 I N 1.441 122.021 120.570 0.017 0.000 2.752 283 I HA 0.053 4.224 4.170 0.000 0.000 0.289 283 I C -1.702 174.411 176.117 -0.006 0.000 1.197 283 I CA -1.971 59.342 61.300 0.022 0.000 1.432 283 I CB 0.436 38.469 38.000 0.055 0.000 1.359 283 I HN 0.191 nan 8.210 nan 0.000 0.571 284 P HA 0.058 nan 4.420 nan 0.000 0.265 284 P C 0.259 177.554 177.300 -0.008 0.000 1.193 284 P CA -0.078 63.013 63.100 -0.015 0.000 0.765 284 P CB 0.460 32.156 31.700 -0.006 0.000 0.823 285 G N 2.230 111.023 108.800 -0.013 0.000 2.483 285 G HA2 0.007 3.967 3.960 0.000 0.000 0.248 285 G HA3 0.007 3.967 3.960 0.000 0.000 0.248 285 G C 1.006 175.916 174.900 0.017 0.000 1.248 285 G CA -0.466 44.640 45.100 0.010 0.000 0.838 285 G HN 0.513 nan 8.290 nan 0.000 0.566 286 R N 1.038 121.531 120.500 -0.012 0.000 2.119 286 R HA -0.158 4.182 4.340 0.000 0.000 0.246 286 R C 1.532 177.665 176.300 -0.279 0.000 1.146 286 R CA 1.897 57.876 56.100 -0.202 0.000 0.962 286 R CB -0.213 29.857 30.300 -0.383 0.000 0.863 286 R HN 0.613 nan 8.270 nan 0.000 0.442 287 F N -1.104 118.932 119.950 0.145 0.000 2.505 287 F HA 0.062 4.589 4.527 0.000 0.000 0.289 287 F C 2.450 178.338 175.800 0.147 0.000 1.101 287 F CA 1.003 59.118 58.000 0.192 0.000 1.446 287 F CB -0.149 39.059 39.000 0.346 0.000 1.123 287 F HN 0.078 nan 8.300 nan 0.000 0.564 288 T N -3.226 111.477 114.554 0.248 0.000 3.100 288 T HA 0.013 4.363 4.350 0.000 0.000 0.253 288 T C 0.835 175.594 174.700 0.098 0.000 1.118 288 T CA -0.109 62.079 62.100 0.146 0.000 1.058 288 T CB -0.295 68.599 68.868 0.044 0.000 0.953 288 T HN -0.018 nan 8.240 nan 0.000 0.515 289 K N 1.640 122.085 120.400 0.076 0.000 3.213 289 K HA -0.198 4.122 4.320 0.000 0.000 0.266 289 K C -0.196 176.416 176.600 0.020 0.000 0.911 289 K CA 0.911 57.223 56.287 0.042 0.000 0.684 289 K CB -1.560 30.975 32.500 0.059 0.000 1.402 289 K HN 0.854 nan 8.250 nan 0.000 0.465 290 E N -0.489 119.708 120.200 -0.004 0.000 2.281 290 E HA 0.442 4.793 4.350 0.000 0.000 0.266 290 E C -0.867 175.702 176.600 -0.052 0.000 0.893 290 E CA -0.360 56.021 56.400 -0.032 0.000 0.798 290 E CB 1.274 30.944 29.700 -0.051 0.000 1.245 290 E HN 0.271 nan 8.360 nan 0.000 0.410 291 A N 2.773 125.566 122.820 -0.045 0.000 2.567 291 A HA 0.413 4.733 4.320 0.000 0.000 0.240 291 A C 1.282 178.817 177.584 -0.081 0.000 1.053 291 A CA 1.113 53.121 52.037 -0.048 0.000 0.755 291 A CB -0.390 18.595 19.000 -0.025 0.000 0.978 291 A HN 1.313 nan 8.150 nan 0.000 0.507 292 G N 1.946 110.679 108.800 -0.111 0.000 2.159 292 G HA2 -0.142 3.819 3.960 0.000 0.000 0.256 292 G HA3 -0.142 3.819 3.960 0.000 0.000 0.256 292 G C 0.256 175.034 174.900 -0.203 0.000 0.977 292 G CA 0.572 45.558 45.100 -0.190 0.000 0.652 292 G HN 1.490 nan 8.290 nan 0.000 0.531 293 T N 0.182 114.647 114.554 -0.148 0.000 2.912 293 T HA 0.716 5.066 4.350 0.000 0.000 0.299 293 T C -0.553 174.085 174.700 -0.103 0.000 1.052 293 T CA -0.510 61.520 62.100 -0.116 0.000 0.996 293 T CB 2.376 71.167 68.868 -0.128 0.000 1.070 293 T HN 0.481 nan 8.240 nan 0.000 0.465 294 L N 1.832 123.009 121.223 -0.076 0.000 2.505 294 L HA 0.682 5.022 4.340 0.000 0.000 0.266 294 L C 0.070 176.878 176.870 -0.103 0.000 0.954 294 L CA -1.216 53.547 54.840 -0.127 0.000 0.852 294 L CB 1.810 43.747 42.059 -0.204 0.000 1.282 294 L HN 0.821 nan 8.230 nan 0.000 0.403 295 A N 1.437 124.104 122.820 -0.254 0.000 2.386 295 A HA 0.122 4.442 4.320 0.000 0.000 0.248 295 A C 0.534 177.920 177.584 -0.330 0.000 1.082 295 A CA 0.118 51.945 52.037 -0.350 0.000 0.789 295 A CB 0.122 18.574 19.000 -0.912 0.000 1.025 295 A HN 0.777 nan 8.150 nan 0.000 0.490 296 Y N 2.029 122.198 120.300 -0.219 0.000 2.193 296 Y HA -0.368 4.182 4.550 0.000 0.000 0.285 296 Y C 1.977 177.782 175.900 -0.158 0.000 1.166 296 Y CA 2.967 60.990 58.100 -0.127 0.000 1.181 296 Y CB -0.656 37.815 38.460 0.019 0.000 0.976 296 Y HN 0.851 nan 8.280 nan 0.000 0.520 297 Y N -1.171 118.994 120.300 -0.225 0.000 2.200 297 Y HA -0.071 4.479 4.550 0.000 0.000 0.290 297 Y C 2.018 177.651 175.900 -0.446 0.000 1.137 297 Y CA 1.236 59.041 58.100 -0.491 0.000 1.163 297 Y CB -1.329 36.554 38.460 -0.962 0.000 0.988 297 Y HN 0.128 nan 8.280 nan 0.000 0.518 298 E N 0.901 120.815 120.200 -0.477 0.000 2.110 298 E HA -0.142 4.208 4.350 0.000 0.000 0.193 298 E C 2.139 178.676 176.600 -0.105 0.000 0.988 298 E CA 1.569 57.885 56.400 -0.139 0.000 0.804 298 E CB -0.276 29.320 29.700 -0.173 0.000 0.745 298 E HN 0.576 nan 8.360 nan 0.000 0.458 299 I N 0.620 121.028 120.570 -0.269 0.000 2.286 299 I HA -0.306 3.864 4.170 0.000 0.000 0.248 299 I C 2.342 178.306 176.117 -0.256 0.000 1.115 299 I CA 0.588 61.700 61.300 -0.313 0.000 1.392 299 I CB -0.235 37.438 38.000 -0.545 0.000 1.065 299 I HN 0.252 nan 8.210 nan 0.000 0.418 300 c N 0.603 118.986 118.600 -0.360 0.000 2.411 300 c HA -0.178 4.392 4.570 0.000 0.000 0.279 300 c C 2.389 176.458 174.090 -0.035 0.000 1.288 300 c CA 0.874 57.058 56.329 -0.242 0.000 1.764 300 c CB -1.028 41.350 42.510 -0.221 0.000 1.974 300 c HN 0.522 nan 8.230 nan 0.000 0.498 301 D N -0.342 120.097 120.400 0.065 0.000 2.123 301 D HA -0.071 4.570 4.640 0.000 0.000 0.200 301 D C 1.753 178.104 176.300 0.086 0.000 0.976 301 D CA 0.839 54.913 54.000 0.124 0.000 0.831 301 D CB -0.485 40.454 40.800 0.232 0.000 0.974 301 D HN 0.495 nan 8.370 nan 0.000 0.469 302 F N 1.448 121.363 119.950 -0.059 0.000 2.134 302 F HA -0.112 4.415 4.527 0.000 0.000 0.299 302 F C 2.048 177.800 175.800 -0.079 0.000 1.097 302 F CA 1.053 59.013 58.000 -0.068 0.000 1.264 302 F CB -0.207 38.728 39.000 -0.108 0.000 1.001 302 F HN -0.117 nan 8.300 nan 0.000 0.479 303 L N 0.323 121.552 121.223 0.011 0.000 2.187 303 L HA -0.176 4.165 4.340 0.000 0.000 0.213 303 L C 0.913 177.704 176.870 -0.132 0.000 1.100 303 L CA 0.798 55.596 54.840 -0.070 0.000 0.765 303 L CB -0.722 41.311 42.059 -0.043 0.000 0.904 303 L HN -0.035 nan 8.230 nan 0.000 0.437 304 R N 0.713 121.146 120.500 -0.112 0.000 2.457 304 R HA 0.128 4.468 4.340 0.000 0.000 0.335 304 R C 1.080 177.291 176.300 -0.148 0.000 1.003 304 R CA 0.688 56.730 56.100 -0.096 0.000 1.003 304 R CB -0.164 30.105 30.300 -0.052 0.000 0.950 304 R HN 0.372 nan 8.270 nan 0.000 0.428 305 G N 1.344 110.066 108.800 -0.131 0.000 2.175 305 G HA2 -0.298 3.662 3.960 0.000 0.000 0.244 305 G HA3 -0.298 3.662 3.960 0.000 0.000 0.244 305 G C 0.239 175.029 174.900 -0.183 0.000 0.982 305 G CA -0.024 44.995 45.100 -0.136 0.000 0.641 305 G HN 0.789 nan 8.290 nan 0.000 0.527 306 A N -0.591 122.084 122.820 -0.242 0.000 2.239 306 A HA 0.872 5.192 4.320 0.000 0.000 0.303 306 A C 0.341 177.849 177.584 -0.127 0.000 1.114 306 A CA 0.672 52.555 52.037 -0.256 0.000 0.871 306 A CB 0.886 19.638 19.000 -0.414 0.000 1.201 306 A HN 0.743 nan 8.150 nan 0.000 0.506 307 T N 0.518 115.023 114.554 -0.081 0.000 2.809 307 T HA 0.497 4.847 4.350 0.000 0.000 0.284 307 T C -0.736 173.822 174.700 -0.238 0.000 0.992 307 T CA -0.243 61.771 62.100 -0.142 0.000 0.957 307 T CB 1.125 69.945 68.868 -0.079 0.000 0.942 307 T HN 0.412 nan 8.240 nan 0.000 0.439 308 V N 5.086 124.807 119.914 -0.321 0.000 2.439 308 V HA 0.378 4.498 4.120 0.000 0.000 0.282 308 V C -0.268 175.437 176.094 -0.649 0.000 1.039 308 V CA -0.693 61.412 62.300 -0.326 0.000 0.913 308 V CB 0.944 32.708 31.823 -0.099 0.000 0.983 308 V HN 0.818 nan 8.190 nan 0.000 0.460 309 H N 4.678 123.434 119.070 -0.523 0.000 2.547 309 H HA 0.473 5.029 4.556 0.000 0.000 0.342 309 H C -0.398 174.669 175.328 -0.435 0.000 1.048 309 H CA -0.829 54.887 56.048 -0.553 0.000 1.204 309 H CB 1.838 31.057 29.762 -0.906 0.000 1.493 309 H HN 0.424 nan 8.280 nan 0.000 0.511 310 R N 3.300 123.743 120.500 -0.096 0.000 2.210 310 R HA 0.241 4.581 4.340 0.000 0.000 0.338 310 R C 0.211 176.532 176.300 0.036 0.000 1.062 310 R CA -0.488 55.584 56.100 -0.048 0.000 0.902 310 R CB 0.447 30.728 30.300 -0.032 0.000 1.050 310 R HN 0.551 nan 8.270 nan 0.000 0.461 311 I N 5.673 126.289 120.570 0.077 0.000 2.389 311 I HA 0.011 4.181 4.170 0.000 0.000 0.295 311 I C 0.891 177.045 176.117 0.062 0.000 1.117 311 I CA -0.058 61.324 61.300 0.137 0.000 1.317 311 I CB 0.073 38.184 38.000 0.186 0.000 1.431 311 I HN 0.290 nan 8.210 nan 0.000 0.521 312 L N 6.279 127.536 121.223 0.057 0.000 2.514 312 L HA 0.040 4.380 4.340 0.000 0.000 0.280 312 L C 1.558 178.442 176.870 0.022 0.000 1.223 312 L CA 0.874 55.731 54.840 0.029 0.000 0.864 312 L CB 0.094 42.167 42.059 0.022 0.000 1.118 312 L HN 0.958 nan 8.230 nan 0.000 0.494 313 G N 1.590 110.395 108.800 0.009 0.000 2.363 313 G HA2 -0.311 3.649 3.960 0.000 0.000 0.238 313 G HA3 -0.311 3.649 3.960 0.000 0.000 0.238 313 G C 0.888 175.842 174.900 0.089 0.000 1.062 313 G CA 0.472 45.573 45.100 0.002 0.000 0.629 313 G HN 0.657 nan 8.290 nan 0.000 0.514 314 Q N -0.711 119.130 119.800 0.069 0.000 2.378 314 Q HA 0.163 4.503 4.340 0.000 0.000 0.216 314 Q C 1.195 177.200 176.000 0.007 0.000 0.892 314 Q CA 0.581 56.412 55.803 0.045 0.000 0.931 314 Q CB 0.350 29.067 28.738 -0.034 0.000 1.086 314 Q HN 0.511 nan 8.270 nan 0.000 0.528 315 Q N -0.833 118.984 119.800 0.029 0.000 2.406 315 Q HA -0.150 4.190 4.340 0.000 0.000 0.236 315 Q C -0.319 175.619 176.000 -0.104 0.000 0.799 315 Q CA 1.229 57.034 55.803 0.004 0.000 1.286 315 Q CB -2.378 26.411 28.738 0.085 0.000 1.615 315 Q HN 0.369 nan 8.270 nan 0.000 0.621 316 V N -3.220 116.577 119.914 -0.195 0.000 2.914 316 V HA 0.923 5.043 4.120 0.000 0.000 0.314 316 V C -2.510 173.453 176.094 -0.218 0.000 1.084 316 V CA -2.145 59.959 62.300 -0.327 0.000 0.963 316 V CB 2.686 34.019 31.823 -0.818 0.000 1.025 316 V HN -0.129 nan 8.190 nan 0.000 0.432 317 P HA 0.586 nan 4.420 nan 0.000 0.285 317 P C -2.015 175.201 177.300 -0.139 0.000 1.285 317 P CA -0.401 62.561 63.100 -0.229 0.000 0.854 317 P CB 1.724 33.201 31.700 -0.372 0.000 1.180 318 Y N -2.101 118.110 120.300 -0.149 0.000 2.544 318 Y HA 0.797 5.348 4.550 0.000 0.000 0.342 318 Y C -1.794 174.046 175.900 -0.100 0.000 1.062 318 Y CA -1.618 56.326 58.100 -0.260 0.000 1.023 318 Y CB 0.785 38.810 38.460 -0.726 0.000 1.308 318 Y HN 0.594 nan 8.280 nan 0.000 0.457 319 A N 1.907 124.815 122.820 0.147 0.000 2.356 319 A HA 0.854 5.175 4.320 0.000 0.000 0.323 319 A C -0.842 176.886 177.584 0.239 0.000 1.119 319 A CA -0.560 51.597 52.037 0.200 0.000 0.790 319 A CB 1.787 21.017 19.000 0.384 0.000 1.273 319 A HN 1.019 nan 8.150 nan 0.000 0.452 320 T N 0.360 115.100 114.554 0.310 0.000 2.933 320 T HA 0.638 4.988 4.350 0.000 0.000 0.305 320 T C -1.383 173.475 174.700 0.264 0.000 1.092 320 T CA -0.548 61.782 62.100 0.382 0.000 1.008 320 T CB 0.950 70.053 68.868 0.392 0.000 1.102 320 T HN 0.805 nan 8.240 nan 0.000 0.469 321 K N 2.930 123.494 120.400 0.273 0.000 2.571 321 K HA 0.536 4.856 4.320 0.000 0.000 0.252 321 K C 0.473 177.149 176.600 0.126 0.000 0.956 321 K CA 0.213 56.511 56.287 0.019 0.000 0.822 321 K CB 1.015 33.252 32.500 -0.438 0.000 1.286 321 K HN 1.112 nan 8.250 nan 0.000 0.439 322 G N 3.408 112.268 108.800 0.099 0.000 2.582 322 G HA2 -0.392 3.568 3.960 0.000 0.000 0.288 322 G HA3 -0.392 3.568 3.960 0.000 0.000 0.288 322 G C 0.136 175.139 174.900 0.172 0.000 1.247 322 G CA 0.568 45.736 45.100 0.114 0.000 0.972 322 G HN 0.899 nan 8.290 nan 0.000 0.557 323 N N 1.109 119.909 118.700 0.167 0.000 2.362 323 N HA 0.116 4.856 4.740 0.000 0.000 0.204 323 N C 0.308 175.964 175.510 0.243 0.000 1.166 323 N CA 0.724 53.882 53.050 0.181 0.000 0.831 323 N CB 0.345 38.909 38.487 0.129 0.000 1.008 323 N HN 0.590 nan 8.380 nan 0.000 0.472 324 Q N 0.020 120.014 119.800 0.324 0.000 2.274 324 Q HA 0.321 4.662 4.340 0.000 0.000 0.260 324 Q C -1.475 174.830 176.000 0.508 0.000 0.974 324 Q CA -0.295 55.737 55.803 0.383 0.000 0.876 324 Q CB 1.910 30.909 28.738 0.435 0.000 1.297 324 Q HN 0.434 nan 8.270 nan 0.000 0.446 325 W N 2.261 123.683 121.300 0.203 0.000 2.957 325 W HA 0.565 5.225 4.660 0.000 0.000 0.336 325 W C -1.548 175.039 176.519 0.114 0.000 1.087 325 W CA -0.729 56.765 57.345 0.249 0.000 1.235 325 W CB 1.330 30.951 29.460 0.268 0.000 1.399 325 W HN 0.344 nan 8.180 nan 0.000 0.480 326 V N 6.197 126.122 119.914 0.019 0.000 2.668 326 V HA 0.839 4.959 4.120 0.000 0.000 0.304 326 V C -0.498 175.593 176.094 -0.006 0.000 1.071 326 V CA -0.411 61.876 62.300 -0.020 0.000 0.894 326 V CB 1.467 33.090 31.823 -0.334 0.000 1.008 326 V HN 0.702 nan 8.190 nan 0.000 0.425 327 G N 6.042 114.911 108.800 0.116 0.000 2.322 327 G HA2 0.666 4.626 3.960 0.000 0.000 0.309 327 G HA3 0.666 4.626 3.960 0.000 0.000 0.309 327 G C -1.188 173.649 174.900 -0.106 0.000 1.121 327 G CA -0.156 44.881 45.100 -0.105 0.000 0.886 327 G HN 1.304 nan 8.290 nan 0.000 0.447 328 Y N -0.662 119.572 120.300 -0.109 0.000 2.829 328 Y HA 0.704 5.255 4.550 0.000 0.000 0.322 328 Y C -1.141 174.911 175.900 0.254 0.000 1.357 328 Y CA -1.833 56.303 58.100 0.060 0.000 1.081 328 Y CB 1.000 39.513 38.460 0.088 0.000 1.339 328 Y HN 0.322 nan 8.280 nan 0.000 0.469 329 D N 0.977 121.479 120.400 0.170 0.000 2.248 329 D HA 0.355 4.995 4.640 0.000 0.000 0.246 329 D C -1.370 174.997 176.300 0.113 0.000 1.027 329 D CA -0.036 53.980 54.000 0.027 0.000 0.853 329 D CB 2.123 42.926 40.800 0.005 0.000 1.243 329 D HN 0.730 nan 8.370 nan 0.000 0.462 330 D N -0.096 120.317 120.400 0.022 0.000 2.714 330 D HA 0.121 4.761 4.640 0.000 0.000 0.278 330 D C 0.859 177.151 176.300 -0.013 0.000 1.102 330 D CA -0.443 53.604 54.000 0.080 0.000 1.108 330 D CB 0.578 41.572 40.800 0.323 0.000 1.444 330 D HN 0.045 nan 8.370 nan 0.000 0.568 331 Q N -0.271 119.540 119.800 0.019 0.000 2.062 331 Q HA -0.236 4.104 4.340 0.000 0.000 0.209 331 Q C 1.774 177.784 176.000 0.018 0.000 0.996 331 Q CA 2.494 58.308 55.803 0.018 0.000 0.859 331 Q CB -0.105 28.668 28.738 0.059 0.000 0.920 331 Q HN 0.682 nan 8.270 nan 0.000 0.415 332 E N -0.454 119.762 120.200 0.027 0.000 2.031 332 E HA -0.225 4.125 4.350 0.000 0.000 0.193 332 E C 2.051 178.649 176.600 -0.004 0.000 0.994 332 E CA 1.550 57.959 56.400 0.014 0.000 0.800 332 E CB -0.049 29.658 29.700 0.013 0.000 0.752 332 E HN 0.438 nan 8.360 nan 0.000 0.447 333 S N 0.432 116.115 115.700 -0.028 0.000 2.368 333 S HA -0.177 4.293 4.470 0.000 0.000 0.225 333 S C 2.285 176.862 174.600 -0.037 0.000 1.030 333 S CA 1.695 59.863 58.200 -0.052 0.000 0.999 333 S CB -1.029 62.110 63.200 -0.103 0.000 0.844 333 S HN 0.316 nan 8.310 nan 0.000 0.459 334 V N 0.555 120.452 119.914 -0.028 0.000 2.515 334 V HA -0.036 4.084 4.120 0.000 0.000 0.250 334 V C 2.512 178.606 176.094 0.001 0.000 1.058 334 V CA 2.015 64.306 62.300 -0.013 0.000 1.064 334 V CB -1.153 30.662 31.823 -0.013 0.000 0.675 334 V HN 0.528 nan 8.190 nan 0.000 0.461 335 K N 0.759 121.162 120.400 0.006 0.000 2.057 335 K HA -0.142 4.178 4.320 0.000 0.000 0.207 335 K C 2.321 178.934 176.600 0.023 0.000 1.049 335 K CA 1.819 58.115 56.287 0.015 0.000 0.931 335 K CB -0.269 32.243 32.500 0.020 0.000 0.714 335 K HN 0.578 nan 8.250 nan 0.000 0.440 336 S N 0.952 116.667 115.700 0.024 0.000 2.368 336 S HA -0.089 4.381 4.470 0.000 0.000 0.225 336 S C 1.642 176.278 174.600 0.060 0.000 1.030 336 S CA 1.219 59.448 58.200 0.049 0.000 0.999 336 S CB -0.101 63.126 63.200 0.044 0.000 0.844 336 S HN 0.334 nan 8.310 nan 0.000 0.459 337 K N 0.693 121.103 120.400 0.016 0.000 2.147 337 K HA -0.018 4.302 4.320 0.000 0.000 0.205 337 K C 1.971 178.610 176.600 0.065 0.000 1.049 337 K CA 0.942 57.236 56.287 0.011 0.000 0.936 337 K CB -0.264 32.220 32.500 -0.026 0.000 0.722 337 K HN 0.185 nan 8.250 nan 0.000 0.446 338 V N 1.436 121.367 119.914 0.028 0.000 2.323 338 V HA -0.239 3.881 4.120 0.000 0.000 0.244 338 V C 2.227 178.306 176.094 -0.026 0.000 1.041 338 V CA 1.576 63.865 62.300 -0.018 0.000 1.025 338 V CB -0.421 31.380 31.823 -0.037 0.000 0.656 338 V HN 0.325 nan 8.190 nan 0.000 0.451 339 Q N -1.080 118.733 119.800 0.020 0.000 2.061 339 Q HA -0.281 4.059 4.340 0.000 0.000 0.204 339 Q C 2.176 178.206 176.000 0.049 0.000 0.984 339 Q CA 2.548 58.367 55.803 0.028 0.000 0.846 339 Q CB -0.417 28.359 28.738 0.063 0.000 0.902 339 Q HN 0.775 nan 8.270 nan 0.000 0.421 340 Y N 1.757 122.054 120.300 -0.006 0.000 2.069 340 Y HA -0.332 4.218 4.550 0.000 0.000 0.278 340 Y C 2.034 177.920 175.900 -0.024 0.000 1.175 340 Y CA 2.024 60.127 58.100 0.006 0.000 1.134 340 Y CB -0.421 38.008 38.460 -0.052 0.000 0.965 340 Y HN 0.218 nan 8.280 nan 0.000 0.498 341 L N -0.124 121.136 121.223 0.061 0.000 2.083 341 L HA -0.084 4.257 4.340 0.000 0.000 0.209 341 L C 2.010 178.776 176.870 -0.173 0.000 1.083 341 L CA 1.955 56.760 54.840 -0.057 0.000 0.752 341 L CB -0.986 41.074 42.059 0.000 0.000 0.899 341 L HN 0.008 nan 8.230 nan 0.000 0.433 342 K N 0.320 120.592 120.400 -0.213 0.000 2.025 342 K HA -0.132 4.189 4.320 0.000 0.000 0.207 342 K C 1.744 178.306 176.600 -0.062 0.000 1.049 342 K CA 1.805 57.969 56.287 -0.205 0.000 0.933 342 K CB -0.375 32.010 32.500 -0.192 0.000 0.714 342 K HN 0.361 nan 8.250 nan 0.000 0.438 343 D N 0.052 120.396 120.400 -0.094 0.000 2.263 343 D HA -0.099 4.542 4.640 0.000 0.000 0.208 343 D C 1.594 177.815 176.300 -0.132 0.000 0.971 343 D CA 0.809 54.757 54.000 -0.086 0.000 0.867 343 D CB 0.187 40.935 40.800 -0.087 0.000 0.929 343 D HN -0.019 nan 8.370 nan 0.000 0.492 344 R N 0.108 120.482 120.500 -0.210 0.000 2.300 344 R HA 0.147 4.487 4.340 0.000 0.000 0.199 344 R C 0.042 176.301 176.300 -0.068 0.000 0.920 344 R CA 0.076 56.056 56.100 -0.200 0.000 1.046 344 R CB 0.075 30.172 30.300 -0.338 0.000 0.984 344 R HN 0.269 nan 8.270 nan 0.000 0.493 345 Q N 0.800 120.595 119.800 -0.008 0.000 2.460 345 Q HA -0.167 4.173 4.340 0.000 0.000 0.311 345 Q C -0.829 175.234 176.000 0.104 0.000 1.396 345 Q CA 0.343 56.202 55.803 0.094 0.000 0.838 345 Q CB -1.604 27.169 28.738 0.060 0.000 1.140 345 Q HN 0.270 nan 8.270 nan 0.000 0.415 346 L N -1.241 120.036 121.223 0.091 0.000 2.416 346 L HA 0.478 4.819 4.340 0.000 0.000 0.262 346 L C 1.620 178.599 176.870 0.182 0.000 1.093 346 L CA 0.195 55.090 54.840 0.090 0.000 0.801 346 L CB 0.453 42.538 42.059 0.045 0.000 1.191 346 L HN 0.330 nan 8.230 nan 0.000 0.459 347 A N 0.979 123.879 122.820 0.133 0.000 1.978 347 A HA 0.261 4.582 4.320 0.000 0.000 0.220 347 A C 0.977 178.664 177.584 0.171 0.000 1.170 347 A CA 1.645 53.761 52.037 0.131 0.000 0.636 347 A CB -0.482 18.546 19.000 0.046 0.000 0.810 347 A HN 1.004 nan 8.150 nan 0.000 0.448 348 G N -3.183 105.671 108.800 0.090 0.000 2.368 348 G HA2 0.563 4.523 3.960 0.000 0.000 0.269 348 G HA3 0.563 4.523 3.960 0.000 0.000 0.269 348 G C -0.835 174.062 174.900 -0.006 0.000 1.291 348 G CA -0.154 44.963 45.100 0.028 0.000 0.903 348 G HN 1.258 nan 8.290 nan 0.000 0.483 349 A N -0.280 122.540 122.820 -0.000 0.000 2.340 349 A HA 0.836 5.156 4.320 0.000 0.000 0.331 349 A C -0.131 177.502 177.584 0.081 0.000 1.140 349 A CA -0.455 51.611 52.037 0.048 0.000 0.801 349 A CB 1.683 20.709 19.000 0.043 0.000 1.234 349 A HN 1.355 nan 8.150 nan 0.000 0.469 350 M N 2.940 122.642 119.600 0.169 0.000 2.383 350 M HA 0.577 5.058 4.480 0.000 0.000 0.325 350 M C -1.944 174.559 176.300 0.339 0.000 1.092 350 M CA -0.512 54.947 55.300 0.264 0.000 0.961 350 M CB 1.395 34.218 32.600 0.373 0.000 1.672 350 M HN 0.387 nan 8.290 nan 0.000 0.438 351 V N 5.525 125.646 119.914 0.346 0.000 2.459 351 V HA 0.505 4.625 4.120 0.000 0.000 0.295 351 V C -1.166 175.192 176.094 0.440 0.000 1.029 351 V CA -0.567 61.935 62.300 0.337 0.000 0.874 351 V CB 2.059 34.009 31.823 0.211 0.000 0.985 351 V HN 0.865 nan 8.190 nan 0.000 0.438 352 W N 5.774 127.223 121.300 0.249 0.000 2.521 352 W HA 0.781 5.442 4.660 0.000 0.000 0.310 352 W C -0.650 175.990 176.519 0.202 0.000 1.000 352 W CA -0.499 56.961 57.345 0.192 0.000 1.353 352 W CB 1.628 31.154 29.460 0.110 0.000 1.276 352 W HN 0.722 nan 8.180 nan 0.000 0.417 353 A N 4.398 127.221 122.820 0.005 0.000 2.564 353 A HA 0.525 4.845 4.320 0.000 0.000 0.288 353 A C 0.248 177.787 177.584 -0.074 0.000 1.164 353 A CA -0.630 51.216 52.037 -0.318 0.000 0.712 353 A CB 1.296 19.705 19.000 -0.984 0.000 1.303 353 A HN 0.528 nan 8.150 nan 0.000 0.418 354 L N -0.210 120.990 121.223 -0.038 0.000 2.042 354 L HA -0.186 4.154 4.340 0.000 0.000 0.210 354 L C 1.967 178.906 176.870 0.115 0.000 1.076 354 L CA 2.393 57.350 54.840 0.194 0.000 0.749 354 L CB -0.564 41.637 42.059 0.236 0.000 0.893 354 L HN 1.005 nan 8.230 nan 0.000 0.432 355 D N -0.560 119.744 120.400 -0.160 0.000 2.378 355 D HA -0.154 4.487 4.640 0.000 0.000 0.222 355 D C 1.860 178.127 176.300 -0.056 0.000 0.980 355 D CA 0.749 54.533 54.000 -0.359 0.000 0.907 355 D CB -0.122 40.351 40.800 -0.545 0.000 0.899 355 D HN 0.335 nan 8.370 nan 0.000 0.527 356 L N -0.588 120.645 121.223 0.016 0.000 2.590 356 L HA 0.185 4.525 4.340 0.000 0.000 0.227 356 L C 0.970 177.956 176.870 0.193 0.000 1.099 356 L CA -0.233 54.654 54.840 0.078 0.000 0.872 356 L CB -0.012 42.097 42.059 0.083 0.000 1.088 356 L HN 0.053 nan 8.230 nan 0.000 0.479 357 D N 0.316 120.872 120.400 0.260 0.000 2.411 357 D HA -0.034 4.606 4.640 0.000 0.000 0.251 357 D C -0.269 176.246 176.300 0.358 0.000 1.201 357 D CA -0.219 53.956 54.000 0.292 0.000 0.996 357 D CB 1.022 41.987 40.800 0.275 0.000 1.101 357 D HN -0.155 nan 8.370 nan 0.000 0.504 358 D N 0.981 121.553 120.400 0.287 0.000 2.551 358 D HA -0.013 4.627 4.640 0.000 0.000 0.223 358 D C 1.054 177.213 176.300 -0.235 0.000 1.144 358 D CA -0.357 53.712 54.000 0.115 0.000 1.025 358 D CB -0.958 39.954 40.800 0.187 0.000 1.085 358 D HN 0.327 nan 8.370 nan 0.000 0.506 359 F N 0.787 120.407 119.950 -0.550 0.000 2.269 359 F HA -0.093 4.434 4.527 0.000 0.000 0.301 359 F C 1.670 177.134 175.800 -0.559 0.000 1.082 359 F CA 0.683 57.978 58.000 -1.175 0.000 1.360 359 F CB -0.478 38.013 39.000 -0.848 0.000 1.041 359 F HN 0.138 nan 8.300 nan 0.000 0.512 360 Q N 1.111 120.295 119.800 -1.027 0.000 2.245 360 Q HA 0.104 4.445 4.340 0.000 0.000 0.201 360 Q C 2.100 177.924 176.000 -0.294 0.000 0.955 360 Q CA 1.110 56.524 55.803 -0.649 0.000 0.870 360 Q CB -0.643 27.680 28.738 -0.693 0.000 0.945 360 Q HN 0.728 nan 8.270 nan 0.000 0.461 361 G N 1.205 109.881 108.800 -0.207 0.000 2.155 361 G HA2 -0.316 3.644 3.960 0.000 0.000 0.257 361 G HA3 -0.316 3.644 3.960 0.000 0.000 0.257 361 G C 0.914 175.777 174.900 -0.063 0.000 0.983 361 G CA 0.932 45.992 45.100 -0.068 0.000 0.676 361 G HN 0.488 nan 8.290 nan 0.000 0.528 362 S N -1.547 114.082 115.700 -0.118 0.000 2.512 362 S HA 0.428 4.899 4.470 0.000 0.000 0.216 362 S C 1.621 176.061 174.600 -0.267 0.000 1.006 362 S CA 0.740 58.802 58.200 -0.230 0.000 0.915 362 S CB -0.068 62.892 63.200 -0.400 0.000 0.824 362 S HN 0.235 nan 8.310 nan 0.000 0.497 363 F N 1.409 121.271 119.950 -0.146 0.000 2.387 363 F HA 0.268 4.796 4.527 0.000 0.000 0.294 363 F C 1.984 177.748 175.800 -0.061 0.000 1.093 363 F CA -0.132 57.814 58.000 -0.090 0.000 1.420 363 F CB -0.344 38.615 39.000 -0.067 0.000 1.086 363 F HN 0.283 nan 8.300 nan 0.000 0.531 364 c N 0.253 118.942 118.600 0.148 0.000 2.754 364 c HA 0.641 5.211 4.570 0.000 0.000 0.276 364 c C 1.397 175.525 174.090 0.063 0.000 1.264 364 c CA -0.167 56.211 56.329 0.082 0.000 1.700 364 c CB -1.490 41.094 42.510 0.123 0.000 1.885 364 c HN 0.732 nan 8.230 nan 0.000 0.607 365 G N 1.333 110.153 108.800 0.034 0.000 2.698 365 G HA2 -0.109 3.851 3.960 0.000 0.000 0.233 365 G HA3 -0.109 3.851 3.960 0.000 0.000 0.233 365 G C 0.235 175.153 174.900 0.030 0.000 1.352 365 G CA 0.293 45.402 45.100 0.015 0.000 0.879 365 G HN 0.463 nan 8.290 nan 0.000 0.567 366 Q N -0.996 118.818 119.800 0.024 0.000 2.284 366 Q HA -0.263 4.077 4.340 0.000 0.000 0.205 366 Q C 0.959 176.976 176.000 0.028 0.000 0.682 366 Q CA 2.210 58.033 55.803 0.032 0.000 1.401 366 Q CB -2.113 26.658 28.738 0.054 0.000 1.643 366 Q HN 1.649 nan 8.270 nan 0.000 0.717 367 D N -1.264 119.143 120.400 0.013 0.000 3.044 367 D HA -0.220 4.420 4.640 0.000 0.000 0.223 367 D C 0.195 176.510 176.300 0.025 0.000 1.191 367 D CA 1.286 55.287 54.000 0.002 0.000 0.881 367 D CB -0.769 40.028 40.800 -0.004 0.000 1.115 367 D HN 0.397 nan 8.370 nan 0.000 0.408 368 L N 1.211 122.464 121.223 0.050 0.000 2.313 368 L HA 0.212 4.552 4.340 0.000 0.000 0.282 368 L C 0.554 177.479 176.870 0.091 0.000 1.092 368 L CA 0.039 54.927 54.840 0.079 0.000 0.831 368 L CB 0.526 42.641 42.059 0.094 0.000 1.159 368 L HN -0.116 nan 8.230 nan 0.000 0.442 369 R N 4.245 124.816 120.500 0.118 0.000 2.531 369 R HA 0.309 4.650 4.340 0.000 0.000 0.273 369 R C -0.288 176.172 176.300 0.267 0.000 1.070 369 R CA -0.389 55.780 56.100 0.115 0.000 1.112 369 R CB 0.245 30.680 30.300 0.224 0.000 1.049 369 R HN 0.627 nan 8.270 nan 0.000 0.508 370 F N 0.555 120.598 119.950 0.155 0.000 2.943 370 F HA -0.201 4.326 4.527 0.000 0.000 0.258 370 F C -1.243 174.628 175.800 0.118 0.000 0.995 370 F CA -0.112 57.981 58.000 0.154 0.000 0.896 370 F CB -1.136 37.944 39.000 0.134 0.000 0.821 370 F HN 0.590 nan 8.300 nan 0.000 0.828 371 P HA -0.238 nan 4.420 nan 0.000 0.214 371 P C 1.843 179.198 177.300 0.092 0.000 1.163 371 P CA 1.841 65.042 63.100 0.168 0.000 0.889 371 P CB 0.208 32.039 31.700 0.220 0.000 0.790 372 L N -0.820 120.405 121.223 0.003 0.000 2.005 372 L HA -0.117 4.223 4.340 0.000 0.000 0.207 372 L C 2.735 179.630 176.870 0.043 0.000 1.072 372 L CA 2.280 57.073 54.840 -0.079 0.000 0.744 372 L CB -1.841 40.075 42.059 -0.238 0.000 0.895 372 L HN 0.031 nan 8.230 nan 0.000 0.433 373 T N -0.627 114.007 114.554 0.132 0.000 2.746 373 T HA -0.147 4.203 4.350 0.000 0.000 0.267 373 T C 1.761 176.526 174.700 0.109 0.000 1.039 373 T CA 1.252 63.435 62.100 0.138 0.000 1.142 373 T CB -0.281 68.704 68.868 0.194 0.000 0.866 373 T HN 0.272 nan 8.240 nan 0.000 0.444 374 N N 1.149 119.932 118.700 0.138 0.000 2.188 374 N HA 0.003 4.744 4.740 0.000 0.000 0.184 374 N C 2.193 177.750 175.510 0.078 0.000 1.018 374 N CA 1.206 54.321 53.050 0.107 0.000 0.858 374 N CB -0.382 38.185 38.487 0.133 0.000 0.989 374 N HN 0.431 nan 8.380 nan 0.000 0.426 375 A N 1.605 124.467 122.820 0.070 0.000 1.883 375 A HA -0.110 4.210 4.320 0.000 0.000 0.217 375 A C 2.318 179.927 177.584 0.041 0.000 1.186 375 A CA 0.994 53.060 52.037 0.049 0.000 0.624 375 A CB -0.703 18.316 19.000 0.031 0.000 0.822 375 A HN 0.217 nan 8.150 nan 0.000 0.444 376 I N -0.544 120.051 120.570 0.041 0.000 2.208 376 I HA -0.290 3.880 4.170 0.000 0.000 0.245 376 I C 2.594 178.734 176.117 0.038 0.000 1.097 376 I CA 1.961 63.282 61.300 0.036 0.000 1.363 376 I CB -0.344 37.683 38.000 0.046 0.000 1.051 376 I HN 0.431 nan 8.210 nan 0.000 0.413 377 K N 1.082 121.512 120.400 0.050 0.000 2.009 377 K HA -0.234 4.086 4.320 0.000 0.000 0.210 377 K C 1.729 178.361 176.600 0.054 0.000 1.049 377 K CA 2.109 58.429 56.287 0.055 0.000 0.929 377 K CB -0.093 32.441 32.500 0.057 0.000 0.714 377 K HN 0.223 nan 8.250 nan 0.000 0.440 378 D N 0.547 120.977 120.400 0.050 0.000 2.104 378 D HA -0.186 4.455 4.640 0.000 0.000 0.194 378 D C 1.858 178.184 176.300 0.043 0.000 0.994 378 D CA 1.556 55.583 54.000 0.046 0.000 0.830 378 D CB -0.429 40.398 40.800 0.044 0.000 0.959 378 D HN 0.395 nan 8.370 nan 0.000 0.452 379 A N 0.776 123.617 122.820 0.035 0.000 1.908 379 A HA -0.154 4.166 4.320 0.000 0.000 0.218 379 A C 2.445 180.042 177.584 0.022 0.000 1.181 379 A CA 1.068 53.119 52.037 0.025 0.000 0.627 379 A CB -0.836 18.172 19.000 0.013 0.000 0.818 379 A HN 0.216 nan 8.150 nan 0.000 0.445 380 L N -1.135 120.103 121.223 0.025 0.000 2.093 380 L HA -0.157 4.183 4.340 0.000 0.000 0.208 380 L C 2.967 179.922 176.870 0.141 0.000 1.085 380 L CA 1.064 55.931 54.840 0.046 0.000 0.755 380 L CB -0.383 41.718 42.059 0.070 0.000 0.904 380 L HN 0.437 nan 8.230 nan 0.000 0.435 381 A N -0.145 122.738 122.820 0.104 0.000 2.072 381 A HA 0.262 4.582 4.320 0.000 0.000 0.216 381 A C 1.413 179.043 177.584 0.077 0.000 1.156 381 A CA 0.587 52.681 52.037 0.095 0.000 0.701 381 A CB -0.414 18.627 19.000 0.068 0.000 0.816 381 A HN 0.294 nan 8.150 nan 0.000 0.458 382 A N -0.577 122.282 122.820 0.065 0.000 2.448 382 A HA 0.485 4.805 4.320 0.000 0.000 0.239 382 A C 0.978 178.597 177.584 0.059 0.000 1.080 382 A CA 0.645 52.713 52.037 0.052 0.000 0.779 382 A CB -0.609 18.416 19.000 0.042 0.000 1.026 382 A HN 1.054 nan 8.150 nan 0.000 0.499 383 T N 0.000 114.581 114.554 0.046 0.000 3.816 383 T HA 0.000 4.350 4.350 0.000 0.000 0.228 383 T CA 0.000 62.126 62.100 0.044 0.000 1.349 383 T CB 0.000 68.895 68.868 0.045 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658