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 1hjw_1_A 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 0.000 175.894 175.900 -0.010 0.000 1.272 22 Y CA 0.000 58.097 58.100 -0.005 0.000 1.940 22 Y CB 0.000 38.459 38.460 -0.002 0.000 1.050 23 K N 1.306 121.793 120.400 0.147 0.000 2.123 23 K HA 0.709 5.029 4.320 -0.000 0.000 0.259 23 K C -1.596 175.015 176.600 0.019 0.000 0.960 23 K CA -0.993 55.307 56.287 0.022 0.000 0.872 23 K CB 1.883 34.253 32.500 -0.216 0.000 1.079 23 K HN 0.406 nan 8.250 nan 0.000 0.440 24 L N 3.211 124.453 121.223 0.032 0.000 2.490 24 L HA 0.261 4.601 4.340 -0.000 0.000 0.256 24 L C -1.525 175.348 176.870 0.005 0.000 1.089 24 L CA -0.572 54.279 54.840 0.019 0.000 0.916 24 L CB 1.338 43.419 42.059 0.037 0.000 1.188 24 L HN 0.282 nan 8.230 nan 0.000 0.476 25 V N 3.467 123.341 119.914 -0.066 0.000 2.385 25 V HA 0.384 4.504 4.120 -0.000 0.000 0.269 25 V C -0.002 176.071 176.094 -0.036 0.000 1.043 25 V CA -0.251 61.993 62.300 -0.093 0.000 0.906 25 V CB 0.824 32.528 31.823 -0.198 0.000 0.995 25 V HN 0.805 nan 8.190 nan 0.000 0.467 26 c N 5.273 123.828 118.600 -0.075 0.000 2.408 26 c HA 0.610 5.180 4.570 -0.000 0.000 0.321 26 c C -0.259 173.730 174.090 -0.169 0.000 1.245 26 c CA -1.263 55.028 56.329 -0.064 0.000 1.523 26 c CB 0.462 42.931 42.510 -0.067 0.000 2.178 26 c HN 0.741 nan 8.230 nan 0.000 0.488 27 Y N 1.238 121.479 120.300 -0.098 0.000 2.299 27 Y HA 0.458 5.008 4.550 -0.000 0.000 0.326 27 Y C -0.033 175.616 175.900 -0.419 0.000 1.164 27 Y CA 0.133 58.074 58.100 -0.264 0.000 1.234 27 Y CB 0.643 38.833 38.460 -0.450 0.000 1.219 27 Y HN 0.717 nan 8.280 nan 0.000 0.497 28 Y N 2.354 122.424 120.300 -0.384 0.000 2.391 28 Y HA 0.473 5.023 4.550 -0.000 0.000 0.341 28 Y C -0.610 174.825 175.900 -0.775 0.000 0.965 28 Y CA -1.148 56.639 58.100 -0.522 0.000 1.067 28 Y CB 1.382 39.632 38.460 -0.349 0.000 1.199 28 Y HN 0.632 nan 8.280 nan 0.000 0.450 29 T N 1.371 114.800 114.554 -1.874 0.000 2.795 29 T HA 0.259 4.609 4.350 -0.000 0.000 0.282 29 T C 1.005 174.591 174.700 -1.857 0.000 0.980 29 T CA -0.093 60.825 62.100 -1.969 0.000 1.012 29 T CB 1.332 68.563 68.868 -2.730 0.000 0.936 29 T HN 0.795 nan 8.240 nan 0.000 0.457 30 S N 2.117 117.186 115.700 -1.053 0.000 2.419 30 S HA -0.157 4.313 4.470 -0.000 0.000 0.235 30 S C 1.510 175.974 174.600 -0.227 0.000 1.019 30 S CA 0.963 58.908 58.200 -0.425 0.000 0.982 30 S CB -0.993 62.251 63.200 0.073 0.000 0.789 30 S HN 1.015 nan 8.310 nan 0.000 0.490 31 W N 2.264 123.404 121.300 -0.265 0.000 3.139 31 W HA 0.364 5.024 4.660 -0.000 0.000 0.260 31 W C 1.813 178.226 176.519 -0.176 0.000 1.312 31 W CA 0.120 57.425 57.345 -0.066 0.000 1.606 31 W CB -0.671 28.871 29.460 0.136 0.000 1.118 31 W HN 0.306 nan 8.180 nan 0.000 0.675 32 S N 1.051 116.367 115.700 -0.640 0.000 2.481 32 S HA -0.273 4.197 4.470 -0.000 0.000 0.231 32 S C 1.808 176.159 174.600 -0.414 0.000 0.996 32 S CA 1.105 59.000 58.200 -0.508 0.000 0.942 32 S CB -0.843 61.911 63.200 -0.743 0.000 0.768 32 S HN 0.696 nan 8.310 nan 0.000 0.520 33 Q N 0.149 119.568 119.800 -0.635 0.000 2.170 33 Q HA -0.146 4.194 4.340 -0.000 0.000 0.203 33 Q C 1.120 176.880 176.000 -0.400 0.000 0.976 33 Q CA 1.336 56.609 55.803 -0.884 0.000 0.858 33 Q CB -0.868 27.071 28.738 -1.331 0.000 0.907 33 Q HN 0.661 nan 8.270 nan 0.000 0.433 34 Y N 0.997 121.306 120.300 0.016 0.000 2.578 34 Y HA 0.190 4.740 4.550 -0.000 0.000 0.297 34 Y C 0.476 176.472 175.900 0.160 0.000 1.176 34 Y CA -0.241 57.945 58.100 0.143 0.000 1.315 34 Y CB -0.093 38.484 38.460 0.195 0.000 1.031 34 Y HN -0.010 nan 8.280 nan 0.000 0.524 35 R N 1.545 122.190 120.500 0.242 0.000 2.491 35 R HA 0.056 4.396 4.340 -0.000 0.000 0.283 35 R C 0.301 176.791 176.300 0.316 0.000 1.072 35 R CA -0.165 56.105 56.100 0.284 0.000 1.048 35 R CB 0.308 30.769 30.300 0.268 0.000 0.983 35 R HN 0.294 nan 8.270 nan 0.000 0.450 36 E N 1.323 121.736 120.200 0.354 0.000 2.534 36 E HA -0.114 4.236 4.350 -0.000 0.000 0.264 36 E C 1.146 178.000 176.600 0.422 0.000 0.981 36 E CA 0.843 57.451 56.400 0.347 0.000 0.948 36 E CB 0.446 30.314 29.700 0.280 0.000 0.934 36 E HN 0.791 nan 8.360 nan 0.000 0.459 37 G N 4.393 113.380 108.800 0.310 0.000 2.700 37 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.350 37 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.350 37 G C 0.655 175.678 174.900 0.206 0.000 1.250 37 G CA 0.714 45.974 45.100 0.267 0.000 0.978 37 G HN 0.771 nan 8.290 nan 0.000 0.551 38 D N 1.727 122.209 120.400 0.136 0.000 2.378 38 D HA 0.026 4.666 4.640 -0.000 0.000 0.222 38 D C 2.337 178.498 176.300 -0.231 0.000 0.980 38 D CA 1.235 55.191 54.000 -0.073 0.000 0.907 38 D CB -0.572 40.156 40.800 -0.120 0.000 0.899 38 D HN 0.514 nan 8.370 nan 0.000 0.527 39 G N 0.419 109.120 108.800 -0.165 0.000 2.464 39 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.217 39 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.217 39 G C 0.883 175.942 174.900 0.265 0.000 1.138 39 G CA -0.077 45.003 45.100 -0.034 0.000 0.793 39 G HN 0.161 nan 8.290 nan 0.000 0.539 40 S N -0.170 115.673 115.700 0.239 0.000 2.629 40 S HA 0.181 4.651 4.470 -0.000 0.000 0.302 40 S C -0.140 174.549 174.600 0.147 0.000 1.244 40 S CA -0.315 57.989 58.200 0.173 0.000 1.098 40 S CB -0.384 62.971 63.200 0.259 0.000 0.858 40 S HN 0.334 nan 8.310 nan 0.000 0.502 41 C N 7.402 126.582 119.300 -0.200 0.000 2.369 41 C HA 0.776 5.236 4.460 -0.000 0.000 0.322 41 C C -1.006 173.804 174.990 -0.300 0.000 1.258 41 C CA -0.854 57.971 59.018 -0.322 0.000 1.487 41 C CB -0.592 26.633 27.740 -0.859 0.000 2.165 41 C HN 0.835 nan 8.230 nan 0.000 0.483 42 F N 5.452 125.409 119.950 0.012 0.000 2.538 42 F HA 0.473 5.000 4.527 -0.000 0.000 0.325 42 F C -1.475 174.217 175.800 -0.180 0.000 1.066 42 F CA -1.918 56.068 58.000 -0.025 0.000 0.946 42 F CB 1.576 40.568 39.000 -0.014 0.000 1.199 42 F HN 0.376 nan 8.300 nan 0.000 0.473 43 P HA -0.208 nan 4.420 nan 0.000 0.217 43 P C 0.892 178.110 177.300 -0.136 0.000 1.148 43 P CA 1.617 64.474 63.100 -0.405 0.000 0.834 43 P CB 0.047 31.532 31.700 -0.357 0.000 0.783 44 D N -0.866 119.525 120.400 -0.015 0.000 2.371 44 D HA -0.042 4.598 4.640 -0.000 0.000 0.221 44 D C 1.384 177.722 176.300 0.063 0.000 0.986 44 D CA 0.706 54.710 54.000 0.006 0.000 0.899 44 D CB -0.759 40.044 40.800 0.005 0.000 0.902 44 D HN 0.130 nan 8.370 nan 0.000 0.530 45 A N 0.168 123.057 122.820 0.115 0.000 2.251 45 A HA 0.250 4.570 4.320 -0.000 0.000 0.209 45 A C 1.101 178.865 177.584 0.300 0.000 1.187 45 A CA -0.289 51.877 52.037 0.215 0.000 0.823 45 A CB -0.242 18.931 19.000 0.287 0.000 0.846 45 A HN 0.225 nan 8.150 nan 0.000 0.486 46 L N 0.571 121.883 121.223 0.147 0.000 2.350 46 L HA 0.241 4.581 4.340 -0.000 0.000 0.275 46 L C -0.216 176.657 176.870 0.004 0.000 1.099 46 L CA -0.751 54.135 54.840 0.077 0.000 0.808 46 L CB 0.818 42.815 42.059 -0.103 0.000 1.149 46 L HN 0.120 nan 8.230 nan 0.000 0.442 47 D N 2.917 123.252 120.400 -0.109 0.000 2.352 47 D HA 0.032 4.672 4.640 -0.000 0.000 0.245 47 D C 1.375 177.586 176.300 -0.148 0.000 1.224 47 D CA -0.384 53.583 54.000 -0.054 0.000 0.879 47 D CB 0.824 41.603 40.800 -0.036 0.000 1.057 47 D HN 0.452 nan 8.370 nan 0.000 0.491 48 R N 2.857 123.248 120.500 -0.182 0.000 2.261 48 R HA -0.160 4.180 4.340 -0.000 0.000 0.236 48 R C 0.688 176.704 176.300 -0.473 0.000 1.141 48 R CA 1.023 56.903 56.100 -0.366 0.000 1.001 48 R CB -0.486 29.511 30.300 -0.504 0.000 0.866 48 R HN 0.341 nan 8.270 nan 0.000 0.468 49 F N 0.072 119.981 119.950 -0.068 0.000 2.727 49 F HA 0.148 4.675 4.527 0.000 0.000 0.302 49 F C 1.726 177.484 175.800 -0.069 0.000 1.097 49 F CA -0.458 57.508 58.000 -0.058 0.000 1.330 49 F CB 0.048 39.029 39.000 -0.032 0.000 1.084 49 F HN -0.073 nan 8.300 nan 0.000 0.578 50 L N -0.301 120.927 121.223 0.009 0.000 1.994 50 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 50 L C 0.865 177.707 176.870 -0.046 0.000 1.071 50 L CA 1.306 56.112 54.840 -0.056 0.000 0.745 50 L CB -0.391 41.523 42.059 -0.241 0.000 0.892 50 L HN 0.066 nan 8.230 nan 0.000 0.431 51 c N -1.927 116.627 118.600 -0.078 0.000 2.407 51 c HA 0.496 5.066 4.570 -0.000 0.000 0.366 51 c C 1.939 176.010 174.090 -0.033 0.000 1.213 51 c CA -0.009 56.293 56.329 -0.044 0.000 2.011 51 c CB 1.248 43.720 42.510 -0.064 0.000 2.306 51 c HN 0.585 nan 8.230 nan 0.000 0.527 52 T N -2.316 112.247 114.554 0.015 0.000 3.051 52 T HA 0.117 4.467 4.350 -0.000 0.000 0.255 52 T C 0.076 174.646 174.700 -0.217 0.000 1.085 52 T CA 0.910 62.986 62.100 -0.039 0.000 1.109 52 T CB -0.218 68.695 68.868 0.076 0.000 0.921 52 T HN 0.807 nan 8.240 nan 0.000 0.488 53 H N -0.412 118.607 119.070 -0.085 0.000 2.865 53 H HA 0.664 5.219 4.556 -0.000 0.000 0.362 53 H C -1.213 174.068 175.328 -0.079 0.000 1.114 53 H CA -0.941 55.067 56.048 -0.067 0.000 1.208 53 H CB 1.501 31.218 29.762 -0.076 0.000 1.727 53 H HN 0.163 nan 8.280 nan 0.000 0.534 54 I N 3.788 124.397 120.570 0.064 0.000 2.436 54 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 54 I C -0.484 175.660 176.117 0.045 0.000 1.010 54 I CA -0.541 60.762 61.300 0.006 0.000 1.098 54 I CB 1.677 39.671 38.000 -0.010 0.000 1.266 54 I HN 0.409 nan 8.210 nan 0.000 0.434 55 I N 6.335 126.851 120.570 -0.091 0.000 2.330 55 I HA 0.213 4.383 4.170 -0.000 0.000 0.289 55 I C -0.712 175.426 176.117 0.034 0.000 1.001 55 I CA -0.731 60.513 61.300 -0.093 0.000 1.193 55 I CB 1.099 38.824 38.000 -0.458 0.000 1.345 55 I HN 0.499 nan 8.210 nan 0.000 0.461 56 Y N 6.860 127.176 120.300 0.027 0.000 2.359 56 Y HA 0.267 4.817 4.550 -0.000 0.000 0.334 56 Y C 0.359 176.246 175.900 -0.020 0.000 1.058 56 Y CA -0.048 58.114 58.100 0.104 0.000 1.244 56 Y CB 0.810 39.427 38.460 0.262 0.000 1.187 56 Y HN 0.626 nan 8.280 nan 0.000 0.510 57 S N 5.604 121.071 115.700 -0.389 0.000 2.557 57 S HA 0.725 5.195 4.470 -0.000 0.000 0.291 57 S C -1.295 173.082 174.600 -0.372 0.000 1.116 57 S CA -0.743 57.095 58.200 -0.603 0.000 0.992 57 S CB 1.221 63.585 63.200 -1.394 0.000 1.028 57 S HN 0.484 nan 8.310 nan 0.000 0.484 58 F N 0.651 120.693 119.950 0.152 0.000 2.611 58 F HA 0.832 5.359 4.527 -0.000 0.000 0.324 58 F C 0.504 176.441 175.800 0.229 0.000 1.061 58 F CA -0.848 57.233 58.000 0.136 0.000 0.954 58 F CB 1.865 40.825 39.000 -0.067 0.000 1.301 58 F HN 0.906 nan 8.300 nan 0.000 0.482 59 A N 1.396 124.489 122.820 0.455 0.000 2.279 59 A HA 0.586 4.906 4.320 -0.000 0.000 0.303 59 A C -0.533 177.298 177.584 0.412 0.000 1.108 59 A CA -0.428 51.861 52.037 0.421 0.000 0.830 59 A CB 0.745 19.877 19.000 0.221 0.000 1.106 59 A HN 0.733 nan 8.150 nan 0.000 0.493 60 N N -0.518 118.495 118.700 0.522 0.000 2.538 60 N HA 0.611 5.351 4.740 -0.000 0.000 0.292 60 N C -1.059 174.609 175.510 0.264 0.000 1.262 60 N CA -0.489 52.912 53.050 0.585 0.000 0.976 60 N CB 0.689 39.520 38.487 0.573 0.000 1.161 60 N HN 0.477 nan 8.380 nan 0.000 0.598 61 I N 0.610 121.315 120.570 0.224 0.000 2.503 61 I HA 0.195 4.365 4.170 -0.000 0.000 0.282 61 I C -0.797 175.331 176.117 0.018 0.000 1.059 61 I CA -0.484 60.831 61.300 0.025 0.000 1.081 61 I CB 1.563 39.417 38.000 -0.243 0.000 1.210 61 I HN 0.282 nan 8.210 nan 0.000 0.450 62 S N 5.308 121.043 115.700 0.058 0.000 2.478 62 S HA 0.401 4.871 4.470 -0.000 0.000 0.312 62 S C 0.267 174.913 174.600 0.076 0.000 1.094 62 S CA -0.375 57.845 58.200 0.032 0.000 1.081 62 S CB 0.614 63.832 63.200 0.030 0.000 1.007 62 S HN 0.686 nan 8.310 nan 0.000 0.475 63 N N 3.599 122.323 118.700 0.039 0.000 2.716 63 N HA -0.157 4.583 4.740 -0.000 0.000 0.250 63 N C -0.495 175.144 175.510 0.215 0.000 1.033 63 N CA 1.400 54.501 53.050 0.086 0.000 0.727 63 N CB -1.133 37.392 38.487 0.063 0.000 0.950 63 N HN 0.892 nan 8.380 nan 0.000 0.541 64 D N -2.959 117.502 120.400 0.101 0.000 3.076 64 D HA -0.221 4.419 4.640 -0.000 0.000 0.218 64 D C -0.279 176.098 176.300 0.129 0.000 1.156 64 D CA 1.262 55.300 54.000 0.063 0.000 0.921 64 D CB -1.166 39.660 40.800 0.042 0.000 1.113 64 D HN 0.634 nan 8.370 nan 0.000 0.418 65 H N -0.327 118.816 119.070 0.122 0.000 2.569 65 H HA 0.567 5.123 4.556 0.001 0.000 0.357 65 H C 0.262 175.696 175.328 0.176 0.000 1.153 65 H CA -0.676 55.483 56.048 0.185 0.000 1.193 65 H CB 1.590 31.430 29.762 0.131 0.000 1.602 65 H HN 0.035 nan 8.280 nan 0.000 0.523 66 I N 2.052 122.779 120.570 0.262 0.000 2.556 66 I HA 0.056 4.226 4.170 -0.000 0.000 0.284 66 I C -0.466 175.508 176.117 -0.238 0.000 1.114 66 I CA 0.601 61.916 61.300 0.025 0.000 1.418 66 I CB 0.058 37.934 38.000 -0.206 0.000 1.394 66 I HN 0.597 nan 8.210 nan 0.000 0.552 67 D N 4.110 124.434 120.400 -0.127 0.000 2.732 67 D HA 0.377 5.017 4.640 -0.000 0.000 0.292 67 D C -0.748 175.700 176.300 0.247 0.000 1.135 67 D CA -0.132 53.913 54.000 0.075 0.000 1.071 67 D CB 2.033 42.939 40.800 0.177 0.000 1.457 67 D HN 0.563 nan 8.370 nan 0.000 0.547 68 T N -2.158 112.646 114.554 0.417 0.000 2.816 68 T HA 0.178 4.528 4.350 -0.000 0.000 0.282 68 T C 0.548 175.503 174.700 0.424 0.000 0.993 68 T CA -0.454 61.914 62.100 0.447 0.000 0.994 68 T CB 1.491 70.525 68.868 0.278 0.000 1.025 68 T HN 0.529 nan 8.240 nan 0.000 0.529 69 W N 0.121 121.580 121.300 0.266 0.000 3.412 69 W HA 0.247 4.907 4.660 0.001 0.000 0.236 69 W C -0.148 176.526 176.519 0.257 0.000 1.030 69 W CA 0.050 57.554 57.345 0.265 0.000 1.850 69 W CB 0.278 29.942 29.460 0.339 0.000 0.979 69 W HN 0.566 nan 8.180 nan 0.000 0.716 70 E N 1.919 122.465 120.200 0.576 0.000 2.313 70 E HA 0.001 4.351 4.350 -0.000 0.000 0.272 70 E C 1.388 178.127 176.600 0.233 0.000 1.038 70 E CA -0.190 56.479 56.400 0.448 0.000 0.863 70 E CB 0.099 30.035 29.700 0.394 0.000 1.060 70 E HN 0.297 nan 8.360 nan 0.000 0.402 71 W N 3.886 125.310 121.300 0.207 0.000 2.331 71 W HA -0.197 4.463 4.660 0.000 0.000 0.291 71 W C 0.525 177.113 176.519 0.115 0.000 1.214 71 W CA 1.300 58.727 57.345 0.136 0.000 1.228 71 W CB -0.718 28.821 29.460 0.131 0.000 1.135 71 W HN 0.390 nan 8.180 nan 0.000 0.537 72 N N 0.467 118.644 118.700 -0.873 0.000 2.275 72 N HA -0.034 4.706 4.740 -0.000 0.000 0.236 72 N C 0.525 175.745 175.510 -0.483 0.000 1.154 72 N CA 0.098 52.641 53.050 -0.844 0.000 0.866 72 N CB -0.681 36.888 38.487 -1.530 0.000 1.093 72 N HN -0.102 nan 8.380 nan 0.000 0.515 73 D N 0.933 121.112 120.400 -0.369 0.000 2.116 73 D HA -0.123 4.517 4.640 -0.000 0.000 0.193 73 D C 1.811 177.547 176.300 -0.940 0.000 0.998 73 D CA 1.004 54.661 54.000 -0.570 0.000 0.836 73 D CB 0.094 40.561 40.800 -0.555 0.000 0.951 73 D HN 0.087 nan 8.370 nan 0.000 0.449 74 V N 1.015 120.535 119.914 -0.657 0.000 2.282 74 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 74 V C 2.533 178.477 176.094 -0.250 0.000 1.057 74 V CA 2.177 64.237 62.300 -0.401 0.000 1.032 74 V CB -0.946 30.797 31.823 -0.134 0.000 0.645 74 V HN 0.248 nan 8.190 nan 0.000 0.447 75 T N 0.244 114.657 114.554 -0.235 0.000 2.708 75 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 75 T C 1.845 176.472 174.700 -0.122 0.000 1.037 75 T CA 1.543 63.551 62.100 -0.153 0.000 1.146 75 T CB -0.337 68.432 68.868 -0.165 0.000 0.865 75 T HN 0.207 nan 8.240 nan 0.000 0.435 76 L N 0.071 121.209 121.223 -0.142 0.000 2.083 76 L HA -0.021 4.319 4.340 -0.000 0.000 0.209 76 L C 2.264 179.132 176.870 -0.004 0.000 1.083 76 L CA 1.481 56.316 54.840 -0.007 0.000 0.752 76 L CB -1.124 41.025 42.059 0.150 0.000 0.899 76 L HN 0.269 nan 8.230 nan 0.000 0.433 77 Y N -0.098 120.070 120.300 -0.219 0.000 2.207 77 Y HA -0.135 4.415 4.550 0.000 0.000 0.287 77 Y C 2.490 178.220 175.900 -0.283 0.000 1.156 77 Y CA 0.780 58.689 58.100 -0.318 0.000 1.182 77 Y CB -1.567 36.714 38.460 -0.297 0.000 0.979 77 Y HN 0.166 nan 8.280 nan 0.000 0.521 78 G N -0.534 108.249 108.800 -0.028 0.000 2.404 78 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.215 78 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.215 78 G C 1.754 176.601 174.900 -0.088 0.000 1.174 78 G CA 1.001 46.056 45.100 -0.076 0.000 0.780 78 G HN 0.290 nan 8.290 nan 0.000 0.537 79 M N -0.213 119.347 119.600 -0.066 0.000 2.082 79 M HA -0.078 4.402 4.480 -0.000 0.000 0.258 79 M C 2.487 178.732 176.300 -0.092 0.000 1.069 79 M CA 1.277 56.537 55.300 -0.067 0.000 1.102 79 M CB -0.468 32.109 32.600 -0.038 0.000 1.336 79 M HN 0.296 nan 8.290 nan 0.000 0.404 80 L N 0.772 121.940 121.223 -0.092 0.000 1.994 80 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 80 L C 1.581 178.366 176.870 -0.143 0.000 1.071 80 L CA 2.126 56.902 54.840 -0.107 0.000 0.745 80 L CB -0.877 41.176 42.059 -0.010 0.000 0.892 80 L HN 0.288 nan 8.230 nan 0.000 0.431 81 N N -1.648 116.935 118.700 -0.194 0.000 2.309 81 N HA -0.145 4.595 4.740 -0.000 0.000 0.182 81 N C 1.482 176.892 175.510 -0.167 0.000 1.018 81 N CA 1.264 54.179 53.050 -0.224 0.000 0.876 81 N CB -0.112 38.185 38.487 -0.317 0.000 0.972 81 N HN 0.373 nan 8.380 nan 0.000 0.434 82 T N 1.208 115.679 114.554 -0.138 0.000 2.833 82 T HA -0.046 4.304 4.350 -0.000 0.000 0.269 82 T C 1.715 176.339 174.700 -0.126 0.000 1.054 82 T CA 0.665 62.696 62.100 -0.115 0.000 1.135 82 T CB -0.205 68.608 68.868 -0.092 0.000 0.869 82 T HN 0.218 nan 8.240 nan 0.000 0.466 83 L N 0.439 121.577 121.223 -0.142 0.000 2.351 83 L HA -0.145 4.195 4.340 -0.000 0.000 0.220 83 L C 2.178 178.921 176.870 -0.212 0.000 1.127 83 L CA 1.331 56.066 54.840 -0.175 0.000 0.786 83 L CB -0.528 41.423 42.059 -0.180 0.000 0.914 83 L HN 0.306 nan 8.230 nan 0.000 0.443 84 K N -0.324 119.970 120.400 -0.177 0.000 2.459 84 K HA -0.014 4.306 4.320 -0.000 0.000 0.193 84 K C 1.515 178.029 176.600 -0.142 0.000 1.030 84 K CA 0.357 56.542 56.287 -0.170 0.000 1.026 84 K CB -0.061 32.351 32.500 -0.147 0.000 0.809 84 K HN 0.431 nan 8.250 nan 0.000 0.504 85 N N 0.809 119.433 118.700 -0.126 0.000 2.080 85 N HA -0.124 4.616 4.740 -0.000 0.000 0.189 85 N C 1.659 177.125 175.510 -0.073 0.000 1.036 85 N CA 0.866 53.863 53.050 -0.089 0.000 0.846 85 N CB 0.024 38.466 38.487 -0.074 0.000 1.015 85 N HN -0.039 nan 8.380 nan 0.000 0.423 86 R N 0.485 120.931 120.500 -0.091 0.000 2.276 86 R HA 0.156 4.495 4.340 -0.000 0.000 0.203 86 R C -0.299 175.970 176.300 -0.053 0.000 1.017 86 R CA 0.358 56.441 56.100 -0.028 0.000 1.010 86 R CB 0.052 30.364 30.300 0.020 0.000 0.900 86 R HN 0.097 nan 8.270 nan 0.000 0.469 87 N N -0.489 118.095 118.700 -0.193 0.000 2.762 87 N HA 0.196 4.936 4.740 -0.000 0.000 0.252 87 N C -2.397 173.036 175.510 -0.128 0.000 1.269 87 N CA -2.131 50.800 53.050 -0.197 0.000 0.799 87 N CB 1.453 39.638 38.487 -0.504 0.000 1.173 87 N HN -0.198 nan 8.380 nan 0.000 0.516 88 P HA -0.072 nan 4.420 nan 0.000 0.216 88 P C 0.445 177.704 177.300 -0.068 0.000 1.153 88 P CA 1.377 64.442 63.100 -0.058 0.000 0.858 88 P CB 0.273 31.956 31.700 -0.029 0.000 0.789 89 N N -0.897 117.768 118.700 -0.059 0.000 2.383 89 N HA 0.024 4.764 4.740 -0.000 0.000 0.192 89 N C 0.163 175.597 175.510 -0.126 0.000 1.141 89 N CA -0.415 52.590 53.050 -0.074 0.000 0.851 89 N CB -0.150 38.310 38.487 -0.046 0.000 0.976 89 N HN 0.062 nan 8.380 nan 0.000 0.465 90 L N 1.574 122.710 121.223 -0.144 0.000 2.367 90 L HA 0.209 4.549 4.340 -0.000 0.000 0.275 90 L C -0.379 176.379 176.870 -0.187 0.000 1.129 90 L CA 0.144 54.872 54.840 -0.186 0.000 0.839 90 L CB 0.520 42.459 42.059 -0.200 0.000 1.133 90 L HN -0.206 nan 8.230 nan 0.000 0.453 91 K N 3.319 123.566 120.400 -0.256 0.000 2.207 91 K HA 0.597 4.917 4.320 -0.000 0.000 0.255 91 K C -0.561 176.021 176.600 -0.030 0.000 0.941 91 K CA -0.448 55.737 56.287 -0.170 0.000 0.825 91 K CB 1.849 34.182 32.500 -0.278 0.000 1.119 91 K HN 0.825 nan 8.250 nan 0.000 0.430 92 T N -0.474 114.127 114.554 0.077 0.000 2.887 92 T HA 0.777 5.126 4.350 -0.000 0.000 0.288 92 T C -0.381 174.532 174.700 0.355 0.000 1.021 92 T CA -0.869 61.359 62.100 0.214 0.000 1.000 92 T CB 1.170 70.157 68.868 0.199 0.000 1.034 92 T HN 0.235 nan 8.240 nan 0.000 0.467 93 L N 1.416 122.830 121.223 0.318 0.000 2.424 93 L HA 0.678 5.018 4.340 -0.000 0.000 0.258 93 L C -1.266 175.466 176.870 -0.230 0.000 0.995 93 L CA -0.945 53.968 54.840 0.121 0.000 0.821 93 L CB 2.234 44.377 42.059 0.140 0.000 1.383 93 L HN 0.683 nan 8.230 nan 0.000 0.410 94 L N 1.073 121.966 121.223 -0.550 0.000 2.287 94 L HA 0.654 4.994 4.340 -0.000 0.000 0.287 94 L C -0.139 176.673 176.870 -0.097 0.000 1.022 94 L CA 0.232 54.689 54.840 -0.638 0.000 0.814 94 L CB 1.556 42.990 42.059 -1.042 0.000 1.217 94 L HN 0.577 nan 8.230 nan 0.000 0.420 95 S N 4.034 119.792 115.700 0.097 0.000 2.475 95 S HA 0.584 5.054 4.470 -0.000 0.000 0.281 95 S C -0.788 174.079 174.600 0.444 0.000 1.198 95 S CA -0.503 57.888 58.200 0.318 0.000 1.063 95 S CB 0.998 64.466 63.200 0.447 0.000 0.972 95 S HN 0.619 nan 8.310 nan 0.000 0.486 96 V N 6.122 126.262 119.914 0.377 0.000 2.459 96 V HA 0.854 4.974 4.120 -0.000 0.000 0.295 96 V C 0.710 176.871 176.094 0.112 0.000 1.029 96 V CA 1.140 63.583 62.300 0.238 0.000 0.874 96 V CB 0.535 32.490 31.823 0.220 0.000 0.985 96 V HN 1.329 nan 8.190 nan 0.000 0.438 97 G N 4.253 112.784 108.800 -0.448 0.000 2.541 97 G HA2 0.480 4.440 3.960 -0.000 0.000 0.208 97 G HA3 0.480 4.440 3.960 -0.000 0.000 0.208 97 G C 0.655 174.872 174.900 -1.138 0.000 1.191 97 G CA 0.103 44.770 45.100 -0.722 0.000 1.217 97 G HN 2.667 nan 8.290 nan 0.000 0.566 98 G N -1.909 106.272 108.800 -1.031 0.000 2.663 98 G HA2 0.124 4.084 3.960 -0.000 0.000 0.686 98 G HA3 0.124 4.084 3.960 -0.000 0.000 0.686 98 G C 0.707 175.339 174.900 -0.446 0.000 1.246 98 G CA 0.454 44.771 45.100 -1.304 0.000 0.795 98 G HN 1.897 nan 8.290 nan 0.000 0.627 99 W N 1.163 122.222 121.300 -0.402 0.000 2.315 99 W HA -0.216 4.444 4.660 0.000 0.000 0.323 99 W C 2.066 178.474 176.519 -0.185 0.000 1.233 99 W CA 2.349 59.533 57.345 -0.268 0.000 1.267 99 W CB -0.166 29.163 29.460 -0.218 0.000 1.160 99 W HN 0.659 nan 8.180 nan 0.000 0.474 100 N N 0.419 118.998 118.700 -0.201 0.000 2.166 100 N HA -0.219 4.521 4.740 -0.000 0.000 0.186 100 N C 1.517 176.907 175.510 -0.200 0.000 1.019 100 N CA 1.692 54.597 53.050 -0.242 0.000 0.856 100 N CB -1.488 36.921 38.487 -0.130 0.000 0.993 100 N HN 0.191 nan 8.380 nan 0.000 0.426 101 F N 1.388 121.144 119.950 -0.323 0.000 2.176 101 F HA -0.137 4.390 4.527 -0.000 0.000 0.301 101 F C 1.249 176.915 175.800 -0.223 0.000 1.071 101 F CA 1.355 59.221 58.000 -0.223 0.000 1.289 101 F CB -0.497 38.318 39.000 -0.309 0.000 1.028 101 F HN 0.176 nan 8.300 nan 0.000 0.494 102 G N -0.705 108.034 108.800 -0.103 0.000 2.728 102 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 102 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 102 G C 0.563 175.498 174.900 0.058 0.000 1.337 102 G CA 0.003 44.996 45.100 -0.180 0.000 0.861 102 G HN 0.911 nan 8.290 nan 0.000 0.597 103 S N 0.104 115.833 115.700 0.048 0.000 2.522 103 S HA -0.027 4.443 4.470 -0.000 0.000 0.227 103 S C 1.885 176.586 174.600 0.168 0.000 0.986 103 S CA 1.399 59.765 58.200 0.276 0.000 0.929 103 S CB 0.112 63.548 63.200 0.394 0.000 0.769 103 S HN 0.713 nan 8.310 nan 0.000 0.529 104 Q N 1.812 121.622 119.800 0.016 0.000 2.030 104 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 104 Q C 2.347 178.290 176.000 -0.096 0.000 0.986 104 Q CA 1.864 57.645 55.803 -0.037 0.000 0.843 104 Q CB -0.451 28.229 28.738 -0.097 0.000 0.904 104 Q HN 0.637 nan 8.270 nan 0.000 0.420 105 R N -0.054 120.330 120.500 -0.194 0.000 2.083 105 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 105 R C 2.200 178.342 176.300 -0.264 0.000 1.137 105 R CA 1.352 57.290 56.100 -0.270 0.000 0.951 105 R CB -0.497 29.506 30.300 -0.495 0.000 0.851 105 R HN 0.105 nan 8.270 nan 0.000 0.434 106 F N 0.165 119.894 119.950 -0.368 0.000 2.069 106 F HA -0.222 4.305 4.527 0.001 0.000 0.298 106 F C 2.822 178.127 175.800 -0.825 0.000 1.113 106 F CA 1.979 59.468 58.000 -0.853 0.000 1.214 106 F CB -1.100 36.809 39.000 -1.817 0.000 0.978 106 F HN 0.113 nan 8.300 nan 0.000 0.474 107 S N 0.012 115.524 115.700 -0.313 0.000 2.369 107 S HA -0.295 4.174 4.470 -0.000 0.000 0.225 107 S C 2.127 176.720 174.600 -0.010 0.000 1.043 107 S CA 2.031 60.271 58.200 0.067 0.000 1.074 107 S CB -0.383 62.969 63.200 0.253 0.000 0.962 107 S HN 0.359 nan 8.310 nan 0.000 0.433 108 K N 0.234 120.600 120.400 -0.055 0.000 2.160 108 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 108 K C 1.994 178.535 176.600 -0.098 0.000 1.047 108 K CA 1.715 57.959 56.287 -0.071 0.000 0.930 108 K CB -0.316 32.132 32.500 -0.087 0.000 0.720 108 K HN 0.504 nan 8.250 nan 0.000 0.450 109 I N 0.145 120.629 120.570 -0.143 0.000 2.339 109 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 109 I C 2.388 178.460 176.117 -0.075 0.000 1.096 109 I CA 0.707 61.922 61.300 -0.142 0.000 1.408 109 I CB -0.278 37.558 38.000 -0.273 0.000 1.092 109 I HN 0.068 nan 8.210 nan 0.000 0.423 110 A N 0.771 123.557 122.820 -0.056 0.000 2.067 110 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 110 A C 2.394 179.929 177.584 -0.082 0.000 1.158 110 A CA 1.860 53.929 52.037 0.054 0.000 0.661 110 A CB -0.525 18.627 19.000 0.253 0.000 0.801 110 A HN 0.525 nan 8.150 nan 0.000 0.452 111 S N -0.475 115.089 115.700 -0.226 0.000 2.470 111 S HA 0.028 4.498 4.470 -0.000 0.000 0.222 111 S C 0.834 175.291 174.600 -0.237 0.000 1.024 111 S CA -0.023 57.855 58.200 -0.537 0.000 0.931 111 S CB -0.404 62.481 63.200 -0.525 0.000 0.791 111 S HN 0.522 nan 8.310 nan 0.000 0.513 112 N N 1.965 120.592 118.700 -0.122 0.000 2.442 112 N HA 0.145 4.885 4.740 -0.000 0.000 0.265 112 N C 0.323 175.808 175.510 -0.040 0.000 1.138 112 N CA 0.330 53.342 53.050 -0.064 0.000 0.956 112 N CB 1.209 39.667 38.487 -0.047 0.000 1.067 112 N HN 0.150 nan 8.380 nan 0.000 0.474 113 T N 3.370 117.909 114.554 -0.024 0.000 2.867 113 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 113 T C 1.469 176.171 174.700 0.003 0.000 1.057 113 T CA 1.362 63.459 62.100 -0.005 0.000 1.136 113 T CB 0.168 69.038 68.868 0.003 0.000 0.874 113 T HN 0.557 nan 8.240 nan 0.000 0.466 114 Q N 0.853 120.654 119.800 0.001 0.000 2.049 114 Q HA 0.056 4.396 4.340 -0.000 0.000 0.198 114 Q C 2.740 178.745 176.000 0.008 0.000 0.971 114 Q CA 1.244 57.051 55.803 0.006 0.000 0.833 114 Q CB -0.430 28.312 28.738 0.007 0.000 0.896 114 Q HN 0.334 nan 8.270 nan 0.000 0.434 115 S N 0.350 116.051 115.700 0.002 0.000 2.370 115 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 115 S C 1.835 176.461 174.600 0.043 0.000 1.033 115 S CA 1.355 59.558 58.200 0.004 0.000 1.011 115 S CB -0.220 62.964 63.200 -0.027 0.000 0.852 115 S HN 0.284 nan 8.310 nan 0.000 0.457 116 R N 0.910 121.439 120.500 0.048 0.000 2.073 116 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 116 R C 2.485 178.838 176.300 0.088 0.000 1.134 116 R CA 1.428 57.590 56.100 0.103 0.000 0.952 116 R CB -0.122 30.218 30.300 0.067 0.000 0.850 116 R HN 0.109 nan 8.270 nan 0.000 0.433 117 R N -0.023 120.499 120.500 0.036 0.000 2.075 117 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 117 R C 1.918 178.210 176.300 -0.013 0.000 1.126 117 R CA 2.357 58.462 56.100 0.007 0.000 0.963 117 R CB -0.913 29.389 30.300 0.004 0.000 0.858 117 R HN 0.177 nan 8.270 nan 0.000 0.435 118 T N 0.832 115.374 114.554 -0.021 0.000 2.684 118 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 118 T C 1.360 175.971 174.700 -0.148 0.000 1.036 118 T CA 1.579 63.611 62.100 -0.114 0.000 1.148 118 T CB -0.487 68.309 68.868 -0.121 0.000 0.863 118 T HN 0.247 nan 8.240 nan 0.000 0.436 119 F N 1.661 121.502 119.950 -0.182 0.000 2.102 119 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 119 F C 1.998 177.759 175.800 -0.066 0.000 1.105 119 F CA 0.685 58.604 58.000 -0.135 0.000 1.239 119 F CB -0.680 38.272 39.000 -0.080 0.000 0.991 119 F HN 0.108 nan 8.300 nan 0.000 0.474 120 I N 0.225 120.680 120.570 -0.192 0.000 2.163 120 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 120 I C 2.605 178.629 176.117 -0.155 0.000 1.085 120 I CA 1.680 62.824 61.300 -0.259 0.000 1.347 120 I CB -0.620 37.308 38.000 -0.120 0.000 1.044 120 I HN 0.110 nan 8.210 nan 0.000 0.408 121 K N 0.831 121.178 120.400 -0.089 0.000 2.103 121 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 121 K C 2.310 178.898 176.600 -0.020 0.000 1.048 121 K CA 1.901 58.167 56.287 -0.036 0.000 0.930 121 K CB -0.052 32.434 32.500 -0.023 0.000 0.716 121 K HN 0.399 nan 8.250 nan 0.000 0.444 122 S N -0.191 115.469 115.700 -0.067 0.000 2.423 122 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 122 S C 1.973 176.616 174.600 0.071 0.000 1.014 122 S CA 1.112 59.332 58.200 0.034 0.000 0.965 122 S CB -0.404 62.815 63.200 0.031 0.000 0.785 122 S HN 0.075 nan 8.310 nan 0.000 0.495 123 V N 3.342 123.228 119.914 -0.047 0.000 2.223 123 V HA -0.065 4.055 4.120 -0.000 0.000 0.244 123 V C -0.178 175.973 176.094 0.096 0.000 1.045 123 V CA 2.004 64.309 62.300 0.008 0.000 1.000 123 V CB -1.892 29.891 31.823 -0.067 0.000 0.635 123 V HN 0.368 nan 8.190 nan 0.000 0.445 124 P HA -0.137 nan 4.420 nan 0.000 0.215 124 P C -1.278 176.036 177.300 0.023 0.000 1.157 124 P CA 2.128 65.198 63.100 -0.048 0.000 0.874 124 P CB -1.340 30.334 31.700 -0.042 0.000 0.790 125 P HA -0.193 nan 4.420 nan 0.000 0.217 125 P C 1.586 178.956 177.300 0.117 0.000 1.150 125 P CA 1.262 64.408 63.100 0.076 0.000 0.832 125 P CB -0.445 31.311 31.700 0.093 0.000 0.787 126 F N 0.893 120.888 119.950 0.074 0.000 2.146 126 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 126 F C 2.265 178.189 175.800 0.207 0.000 1.096 126 F CA 1.238 59.348 58.000 0.183 0.000 1.275 126 F CB -0.836 38.299 39.000 0.226 0.000 1.008 126 F HN -0.306 nan 8.300 nan 0.000 0.480 127 L N -0.361 121.082 121.223 0.366 0.000 2.093 127 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 127 L C 2.596 179.520 176.870 0.089 0.000 1.085 127 L CA 0.679 55.686 54.840 0.278 0.000 0.755 127 L CB -0.630 41.521 42.059 0.153 0.000 0.904 127 L HN 0.003 nan 8.230 nan 0.000 0.435 128 R N -0.295 120.204 120.500 -0.002 0.000 2.073 128 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 128 R C 2.260 178.476 176.300 -0.140 0.000 1.120 128 R CA 1.446 57.505 56.100 -0.069 0.000 0.967 128 R CB -1.282 28.979 30.300 -0.067 0.000 0.862 128 R HN 0.263 nan 8.270 nan 0.000 0.436 129 T N 0.767 115.192 114.554 -0.215 0.000 2.788 129 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 129 T C 1.114 175.465 174.700 -0.581 0.000 1.044 129 T CA 1.185 63.033 62.100 -0.419 0.000 1.139 129 T CB -0.149 68.374 68.868 -0.574 0.000 0.867 129 T HN 0.351 nan 8.240 nan 0.000 0.454 130 H N -0.534 118.407 119.070 -0.215 0.000 2.520 130 H HA 0.377 4.933 4.556 -0.000 0.000 0.284 130 H C 1.795 176.914 175.328 -0.348 0.000 1.037 130 H CA 0.419 56.324 56.048 -0.238 0.000 1.168 130 H CB 0.201 29.806 29.762 -0.262 0.000 1.497 130 H HN 0.496 nan 8.280 nan 0.000 0.547 131 G N 1.037 109.713 108.800 -0.207 0.000 2.148 131 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.254 131 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.254 131 G C -0.149 174.547 174.900 -0.339 0.000 0.981 131 G CA -0.169 44.765 45.100 -0.276 0.000 0.670 131 G HN 0.188 nan 8.290 nan 0.000 0.528 132 F N 0.997 120.893 119.950 -0.090 0.000 2.384 132 F HA 0.402 4.929 4.527 -0.000 0.000 0.338 132 F C 1.415 177.175 175.800 -0.067 0.000 1.103 132 F CA -0.600 57.352 58.000 -0.079 0.000 1.157 132 F CB 0.880 39.834 39.000 -0.077 0.000 1.167 132 F HN -0.032 nan 8.300 nan 0.000 0.529 133 D N 1.327 121.837 120.400 0.184 0.000 2.347 133 D HA 0.179 4.819 4.640 -0.000 0.000 0.213 133 D C 0.870 177.213 176.300 0.070 0.000 0.985 133 D CA 0.686 54.737 54.000 0.086 0.000 0.879 133 D CB 0.480 41.326 40.800 0.078 0.000 0.919 133 D HN 0.674 nan 8.370 nan 0.000 0.526 134 G N 0.151 109.014 108.800 0.106 0.000 2.342 134 G HA2 0.368 4.328 3.960 -0.000 0.000 0.297 134 G HA3 0.368 4.328 3.960 -0.000 0.000 0.297 134 G C -2.244 172.702 174.900 0.078 0.000 1.313 134 G CA -0.819 44.314 45.100 0.056 0.000 0.830 134 G HN 0.063 nan 8.290 nan 0.000 0.506 135 L N 0.253 121.576 121.223 0.166 0.000 2.346 135 L HA 0.835 5.175 4.340 -0.000 0.000 0.276 135 L C -1.148 175.794 176.870 0.121 0.000 1.006 135 L CA -0.600 54.335 54.840 0.158 0.000 0.817 135 L CB 2.105 44.335 42.059 0.286 0.000 1.272 135 L HN 0.605 nan 8.230 nan 0.000 0.421 136 D N 3.603 124.073 120.400 0.117 0.000 2.308 136 D HA 0.427 5.067 4.640 -0.000 0.000 0.242 136 D C -1.239 175.189 176.300 0.214 0.000 1.059 136 D CA -0.155 53.924 54.000 0.131 0.000 0.830 136 D CB 1.119 42.040 40.800 0.201 0.000 1.161 136 D HN 0.526 nan 8.370 nan 0.000 0.494 137 L N 2.964 124.295 121.223 0.180 0.000 2.265 137 L HA 0.641 4.981 4.340 -0.000 0.000 0.288 137 L C 0.109 177.129 176.870 0.250 0.000 1.058 137 L CA -0.760 54.220 54.840 0.233 0.000 0.809 137 L CB 1.592 43.758 42.059 0.179 0.000 1.179 137 L HN 0.575 nan 8.230 nan 0.000 0.429 138 A N 3.979 126.946 122.820 0.245 0.000 3.204 138 A HA 0.192 4.512 4.320 -0.000 0.000 0.327 138 A C -1.069 176.537 177.584 0.036 0.000 0.998 138 A CA -0.422 51.725 52.037 0.184 0.000 0.891 138 A CB -0.005 19.164 19.000 0.282 0.000 1.061 138 A HN 0.704 nan 8.150 nan 0.000 0.478 139 W N 3.780 124.874 121.300 -0.343 0.000 2.367 139 W HA 0.532 5.192 4.660 0.001 0.000 0.329 139 W C -1.391 174.899 176.519 -0.380 0.000 1.066 139 W CA -1.204 55.741 57.345 -0.667 0.000 1.435 139 W CB 0.277 29.118 29.460 -1.031 0.000 1.296 139 W HN 0.364 nan 8.180 nan 0.000 0.401 140 L N 8.928 130.133 121.223 -0.029 0.000 2.313 140 L HA 0.356 4.696 4.340 -0.000 0.000 0.273 140 L C -1.138 175.420 176.870 -0.519 0.000 1.028 140 L CA -0.686 53.742 54.840 -0.687 0.000 0.871 140 L CB -0.232 41.363 42.059 -0.774 0.000 1.242 140 L HN 0.218 nan 8.230 nan 0.000 0.434 141 Y N 1.554 121.849 120.300 -0.009 0.000 2.588 141 Y HA 0.482 5.032 4.550 0.000 0.000 0.343 141 Y C -2.441 173.050 175.900 -0.682 0.000 1.065 141 Y CA -2.929 54.963 58.100 -0.347 0.000 1.038 141 Y CB 1.486 39.763 38.460 -0.305 0.000 1.297 141 Y HN 0.324 nan 8.280 nan 0.000 0.467 142 P HA 0.081 nan 4.420 nan 0.000 0.264 142 P C 0.218 177.191 177.300 -0.545 0.000 1.193 142 P CA 0.236 62.531 63.100 -1.342 0.000 0.763 142 P CB 0.550 31.233 31.700 -1.694 0.000 0.810 143 G N 2.897 111.558 108.800 -0.231 0.000 2.653 143 G HA2 0.049 4.008 3.960 -0.000 0.000 0.265 143 G HA3 0.049 4.008 3.960 -0.000 0.000 0.265 143 G C 1.088 175.878 174.900 -0.184 0.000 1.237 143 G CA -0.544 44.473 45.100 -0.138 0.000 0.946 143 G HN 0.570 nan 8.290 nan 0.000 0.522 144 R N -0.624 119.792 120.500 -0.140 0.000 2.105 144 R HA -0.135 4.205 4.340 -0.000 0.000 0.239 144 R C 2.128 178.359 176.300 -0.115 0.000 1.135 144 R CA 1.608 57.625 56.100 -0.138 0.000 0.967 144 R CB -0.419 29.821 30.300 -0.101 0.000 0.861 144 R HN 0.603 nan 8.270 nan 0.000 0.442 145 R N 0.142 120.597 120.500 -0.074 0.000 2.316 145 R HA 0.044 4.384 4.340 -0.000 0.000 0.202 145 R C 0.492 176.748 176.300 -0.073 0.000 1.029 145 R CA 1.319 57.387 56.100 -0.054 0.000 1.018 145 R CB 0.079 30.384 30.300 0.008 0.000 0.888 145 R HN 0.198 nan 8.270 nan 0.000 0.471 146 D N 0.926 121.286 120.400 -0.067 0.000 2.379 146 D HA -0.012 4.628 4.640 -0.000 0.000 0.208 146 D C 1.164 177.394 176.300 -0.117 0.000 1.065 146 D CA 0.198 54.192 54.000 -0.009 0.000 0.848 146 D CB 0.259 41.074 40.800 0.026 0.000 0.949 146 D HN 0.283 nan 8.370 nan 0.000 0.509 147 K N 1.011 121.309 120.400 -0.170 0.000 2.032 147 K HA -0.249 4.071 4.320 -0.000 0.000 0.218 147 K C 1.790 178.394 176.600 0.007 0.000 1.054 147 K CA 1.476 57.702 56.287 -0.103 0.000 0.941 147 K CB 0.271 32.708 32.500 -0.104 0.000 0.720 147 K HN -0.074 nan 8.250 nan 0.000 0.449 148 Q N -0.037 119.719 119.800 -0.074 0.000 2.050 148 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 148 Q C 2.089 178.150 176.000 0.103 0.000 0.980 148 Q CA 1.948 57.735 55.803 -0.027 0.000 0.840 148 Q CB -0.884 27.785 28.738 -0.114 0.000 0.898 148 Q HN 0.682 nan 8.270 nan 0.000 0.424 149 H N -0.742 118.421 119.070 0.155 0.000 2.387 149 H HA -0.138 4.418 4.556 0.000 0.000 0.299 149 H C 1.777 177.292 175.328 0.312 0.000 1.099 149 H CA 0.927 57.110 56.048 0.225 0.000 1.315 149 H CB -0.143 29.793 29.762 0.290 0.000 1.380 149 H HN 0.118 nan 8.280 nan 0.000 0.513 150 F N 1.589 121.667 119.950 0.213 0.000 2.102 150 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 150 F C 2.329 178.205 175.800 0.127 0.000 1.105 150 F CA 1.646 59.731 58.000 0.143 0.000 1.239 150 F CB -0.678 38.257 39.000 -0.109 0.000 0.991 150 F HN -0.021 nan 8.300 nan 0.000 0.474 151 T N -0.724 113.905 114.554 0.124 0.000 2.720 151 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 151 T C 1.909 176.606 174.700 -0.005 0.000 1.037 151 T CA 2.065 64.177 62.100 0.021 0.000 1.144 151 T CB -0.684 68.231 68.868 0.077 0.000 0.864 151 T HN 0.284 nan 8.240 nan 0.000 0.444 152 T N 2.405 116.996 114.554 0.063 0.000 2.708 152 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 152 T C 1.936 176.636 174.700 -0.000 0.000 1.037 152 T CA 1.049 63.174 62.100 0.041 0.000 1.146 152 T CB -0.529 68.409 68.868 0.117 0.000 0.865 152 T HN 0.184 nan 8.240 nan 0.000 0.435 153 L N 1.061 122.321 121.223 0.060 0.000 2.012 153 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 153 L C 2.192 179.003 176.870 -0.099 0.000 1.073 153 L CA 1.680 56.548 54.840 0.047 0.000 0.748 153 L CB -0.586 41.589 42.059 0.194 0.000 0.891 153 L HN 0.266 nan 8.230 nan 0.000 0.431 154 I N -0.558 119.891 120.570 -0.201 0.000 2.226 154 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 154 I C 2.618 178.560 176.117 -0.293 0.000 1.100 154 I CA 1.593 62.731 61.300 -0.270 0.000 1.374 154 I CB -0.438 37.367 38.000 -0.325 0.000 1.057 154 I HN 0.348 nan 8.210 nan 0.000 0.413 155 K N 1.166 121.369 120.400 -0.328 0.000 2.002 155 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 155 K C 1.972 178.340 176.600 -0.387 0.000 1.048 155 K CA 1.718 57.657 56.287 -0.580 0.000 0.930 155 K CB 0.002 32.209 32.500 -0.489 0.000 0.714 155 K HN 0.353 nan 8.250 nan 0.000 0.438 156 E N 0.160 120.216 120.200 -0.241 0.000 2.106 156 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 156 E C 1.990 178.458 176.600 -0.221 0.000 0.984 156 E CA 1.142 57.435 56.400 -0.179 0.000 0.806 156 E CB -0.137 29.502 29.700 -0.101 0.000 0.750 156 E HN 0.237 nan 8.360 nan 0.000 0.458 157 M N 1.678 121.106 119.600 -0.287 0.000 2.080 157 M HA -0.192 4.288 4.480 -0.000 0.000 0.260 157 M C 2.066 177.951 176.300 -0.691 0.000 1.068 157 M CA 1.673 56.694 55.300 -0.466 0.000 1.109 157 M CB -0.040 32.266 32.600 -0.490 0.000 1.342 157 M HN -0.199 nan 8.290 nan 0.000 0.405 158 K N 0.170 120.249 120.400 -0.535 0.000 2.097 158 K HA 0.028 4.348 4.320 -0.000 0.000 0.206 158 K C 1.787 178.274 176.600 -0.187 0.000 1.049 158 K CA 1.734 57.778 56.287 -0.406 0.000 0.933 158 K CB -0.810 31.552 32.500 -0.229 0.000 0.717 158 K HN 0.419 nan 8.250 nan 0.000 0.442 159 A N 0.682 123.398 122.820 -0.172 0.000 1.865 159 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 159 A C 2.152 179.731 177.584 -0.008 0.000 1.191 159 A CA 2.101 54.093 52.037 -0.076 0.000 0.623 159 A CB -0.891 18.056 19.000 -0.089 0.000 0.826 159 A HN 0.467 nan 8.150 nan 0.000 0.444 160 E N -0.667 119.520 120.200 -0.022 0.000 2.097 160 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 160 E C 1.602 178.350 176.600 0.246 0.000 1.000 160 E CA 1.557 58.003 56.400 0.078 0.000 0.804 160 E CB -0.418 29.317 29.700 0.058 0.000 0.740 160 E HN 0.539 nan 8.360 nan 0.000 0.454 161 F N 0.128 120.058 119.950 -0.033 0.000 2.113 161 F HA -0.033 4.494 4.527 -0.000 0.000 0.297 161 F C 2.273 178.070 175.800 -0.006 0.000 1.103 161 F CA 0.701 58.691 58.000 -0.017 0.000 1.248 161 F CB -0.890 38.102 39.000 -0.015 0.000 0.999 161 F HN 0.083 nan 8.300 nan 0.000 0.475 162 I N -0.176 120.514 120.570 0.200 0.000 2.286 162 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 162 I C 2.529 178.692 176.117 0.077 0.000 1.115 162 I CA 1.288 62.654 61.300 0.110 0.000 1.392 162 I CB -0.470 37.574 38.000 0.073 0.000 1.065 162 I HN 0.078 nan 8.210 nan 0.000 0.418 163 K N 0.887 121.332 120.400 0.075 0.000 2.097 163 K HA -0.215 4.105 4.320 -0.000 0.000 0.205 163 K C 2.151 178.780 176.600 0.048 0.000 1.050 163 K CA 1.214 57.532 56.287 0.051 0.000 0.938 163 K CB -0.005 32.521 32.500 0.043 0.000 0.718 163 K HN 0.187 nan 8.250 nan 0.000 0.442 164 E N 0.461 120.700 120.200 0.064 0.000 2.106 164 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 164 E C 1.426 178.034 176.600 0.014 0.000 0.984 164 E CA 1.131 57.551 56.400 0.033 0.000 0.806 164 E CB 0.046 29.758 29.700 0.020 0.000 0.750 164 E HN 0.384 nan 8.360 nan 0.000 0.458 165 A N 0.566 123.399 122.820 0.022 0.000 2.208 165 A HA -0.054 4.266 4.320 -0.000 0.000 0.209 165 A C 1.920 179.513 177.584 0.016 0.000 1.161 165 A CA 0.779 52.824 52.037 0.012 0.000 0.782 165 A CB -0.309 18.702 19.000 0.018 0.000 0.816 165 A HN 0.300 nan 8.150 nan 0.000 0.477 166 Q N 0.397 120.211 119.800 0.023 0.000 2.208 166 Q HA -0.258 4.082 4.340 -0.000 0.000 0.219 166 Q C -0.673 175.335 176.000 0.014 0.000 1.027 166 Q CA 2.863 58.678 55.803 0.020 0.000 0.925 166 Q CB -1.000 27.750 28.738 0.020 0.000 1.006 166 Q HN 0.615 nan 8.270 nan 0.000 0.415 167 P HA 0.056 nan 4.420 nan 0.000 0.200 167 P C 0.369 177.671 177.300 0.004 0.000 1.198 167 P CA 1.462 64.565 63.100 0.005 0.000 0.892 167 P CB -0.028 31.674 31.700 0.002 0.000 0.724 168 G N -1.566 107.234 108.800 0.001 0.000 4.530 168 G HA2 0.136 4.096 3.960 -0.000 0.000 0.284 168 G HA3 0.136 4.096 3.960 -0.000 0.000 0.284 168 G C -0.057 174.841 174.900 -0.004 0.000 1.008 168 G CA -0.200 44.900 45.100 -0.000 0.000 0.770 168 G HN 0.076 nan 8.290 nan 0.000 0.424 169 K N 1.062 121.458 120.400 -0.005 0.000 2.219 169 K HA 0.287 4.607 4.320 -0.000 0.000 0.258 169 K C 0.052 176.647 176.600 -0.008 0.000 1.008 169 K CA -0.231 56.049 56.287 -0.012 0.000 0.928 169 K CB 0.844 33.332 32.500 -0.020 0.000 0.983 169 K HN -0.118 nan 8.250 nan 0.000 0.484 170 K N 3.032 123.424 120.400 -0.013 0.000 2.349 170 K HA -0.001 4.318 4.320 -0.000 0.000 0.289 170 K C -0.007 176.588 176.600 -0.007 0.000 1.064 170 K CA 0.107 56.391 56.287 -0.005 0.000 0.947 170 K CB 0.921 33.416 32.500 -0.009 0.000 1.007 170 K HN 0.540 nan 8.250 nan 0.000 0.478 171 Q N 3.077 122.884 119.800 0.012 0.000 2.315 171 Q HA -0.004 4.336 4.340 -0.000 0.000 0.289 171 Q C -0.312 175.689 176.000 0.002 0.000 1.044 171 Q CA 0.026 55.840 55.803 0.019 0.000 0.920 171 Q CB 0.504 29.280 28.738 0.063 0.000 1.214 171 Q HN 0.438 nan 8.270 nan 0.000 0.392 172 L N 4.236 125.408 121.223 -0.086 0.000 2.461 172 L HA 0.091 4.431 4.340 -0.000 0.000 0.272 172 L C 0.079 176.977 176.870 0.047 0.000 1.197 172 L CA -0.126 54.595 54.840 -0.199 0.000 0.836 172 L CB 0.194 41.776 42.059 -0.795 0.000 1.105 172 L HN 0.578 nan 8.230 nan 0.000 0.477 173 L N 3.424 124.708 121.223 0.102 0.000 2.375 173 L HA 0.389 4.729 4.340 -0.000 0.000 0.271 173 L C -0.456 176.598 176.870 0.308 0.000 1.107 173 L CA -0.553 54.417 54.840 0.218 0.000 0.806 173 L CB 1.401 43.600 42.059 0.233 0.000 1.146 173 L HN 0.367 nan 8.230 nan 0.000 0.447 174 L N 2.646 123.983 121.223 0.190 0.000 2.404 174 L HA 0.523 4.863 4.340 -0.000 0.000 0.272 174 L C -0.266 176.486 176.870 -0.197 0.000 0.980 174 L CA 0.088 54.968 54.840 0.066 0.000 0.836 174 L CB 1.610 43.640 42.059 -0.048 0.000 1.238 174 L HN 0.716 nan 8.230 nan 0.000 0.408 175 S N 3.508 119.027 115.700 -0.302 0.000 2.671 175 S HA 1.041 5.511 4.470 -0.000 0.000 0.299 175 S C -0.769 173.692 174.600 -0.232 0.000 1.116 175 S CA -0.248 57.607 58.200 -0.575 0.000 0.912 175 S CB 2.005 64.376 63.200 -1.381 0.000 1.130 175 S HN 1.246 nan 8.310 nan 0.000 0.501 176 A N 0.171 122.891 122.820 -0.167 0.000 2.459 176 A HA 0.839 5.158 4.320 -0.000 0.000 0.296 176 A C -0.488 177.153 177.584 0.095 0.000 1.039 176 A CA -0.457 51.591 52.037 0.019 0.000 0.698 176 A CB 1.181 20.186 19.000 0.008 0.000 1.261 176 A HN 1.761 nan 8.150 nan 0.000 0.405 177 A N 2.903 125.841 122.820 0.195 0.000 2.279 177 A HA 0.644 4.964 4.320 -0.000 0.000 0.306 177 A C -0.342 177.328 177.584 0.142 0.000 1.300 177 A CA -0.150 52.020 52.037 0.222 0.000 0.925 177 A CB -0.341 18.837 19.000 0.296 0.000 1.152 177 A HN 0.797 nan 8.150 nan 0.000 0.544 178 L N 1.983 123.243 121.223 0.061 0.000 2.331 178 L HA 0.447 4.787 4.340 -0.000 0.000 0.275 178 L C 1.031 177.956 176.870 0.092 0.000 1.022 178 L CA -0.687 54.144 54.840 -0.015 0.000 0.812 178 L CB 1.804 43.646 42.059 -0.361 0.000 1.257 178 L HN 0.697 nan 8.230 nan 0.000 0.435 179 S N 1.050 116.903 115.700 0.256 0.000 2.563 179 S HA 0.175 4.645 4.470 -0.000 0.000 0.284 179 S C 0.809 175.443 174.600 0.055 0.000 1.331 179 S CA 0.135 58.407 58.200 0.119 0.000 1.047 179 S CB 1.004 64.132 63.200 -0.120 0.000 0.859 179 S HN 0.721 nan 8.310 nan 0.000 0.514 180 A N 3.786 126.574 122.820 -0.053 0.000 2.379 180 A HA 0.451 4.771 4.320 -0.000 0.000 0.236 180 A C 0.906 178.603 177.584 0.189 0.000 1.272 180 A CA 0.150 52.222 52.037 0.058 0.000 0.886 180 A CB -0.413 18.556 19.000 -0.051 0.000 0.962 180 A HN 0.937 nan 8.150 nan 0.000 0.504 181 G N -0.223 108.607 108.800 0.050 0.000 2.327 181 G HA2 0.353 4.313 3.960 -0.000 0.000 0.302 181 G HA3 0.353 4.313 3.960 -0.000 0.000 0.302 181 G C 0.649 175.512 174.900 -0.060 0.000 1.113 181 G CA -0.271 44.846 45.100 0.029 0.000 0.921 181 G HN 0.332 nan 8.290 nan 0.000 0.425 182 K N 2.332 122.634 120.400 -0.164 0.000 2.020 182 K HA -0.169 4.151 4.320 -0.000 0.000 0.212 182 K C 2.352 178.789 176.600 -0.271 0.000 1.050 182 K CA 1.744 57.864 56.287 -0.279 0.000 0.929 182 K CB -0.138 31.893 32.500 -0.781 0.000 0.714 182 K HN 0.357 nan 8.250 nan 0.000 0.443 183 V N 1.074 120.766 119.914 -0.369 0.000 2.233 183 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 183 V C 2.309 178.265 176.094 -0.230 0.000 1.050 183 V CA 2.492 64.635 62.300 -0.261 0.000 1.010 183 V CB -0.889 30.802 31.823 -0.220 0.000 0.637 183 V HN 0.514 nan 8.190 nan 0.000 0.444 184 T N 0.365 114.754 114.554 -0.275 0.000 2.720 184 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 184 T C 1.797 176.253 174.700 -0.408 0.000 1.037 184 T CA 1.989 63.850 62.100 -0.399 0.000 1.144 184 T CB -0.373 68.145 68.868 -0.583 0.000 0.864 184 T HN 0.371 nan 8.240 nan 0.000 0.444 185 I N 1.296 121.756 120.570 -0.183 0.000 2.286 185 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 185 I C 2.238 178.337 176.117 -0.031 0.000 1.115 185 I CA 1.188 62.495 61.300 0.013 0.000 1.392 185 I CB -0.402 37.760 38.000 0.270 0.000 1.065 185 I HN 0.177 nan 8.210 nan 0.000 0.418 186 D N 0.374 120.757 120.400 -0.029 0.000 2.149 186 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 186 D C 2.386 178.617 176.300 -0.114 0.000 0.972 186 D CA 1.787 55.775 54.000 -0.020 0.000 0.835 186 D CB -0.075 40.728 40.800 0.005 0.000 0.966 186 D HN 0.373 nan 8.370 nan 0.000 0.476 187 S N -0.240 115.342 115.700 -0.197 0.000 2.425 187 S HA 0.003 4.473 4.470 -0.000 0.000 0.225 187 S C 2.063 176.474 174.600 -0.315 0.000 1.024 187 S CA 0.673 58.742 58.200 -0.218 0.000 0.951 187 S CB 0.073 63.147 63.200 -0.210 0.000 0.796 187 S HN -0.004 nan 8.310 nan 0.000 0.498 188 S N 0.167 115.548 115.700 -0.532 0.000 2.456 188 S HA 0.315 4.785 4.470 -0.000 0.000 0.224 188 S C -0.483 173.748 174.600 -0.614 0.000 1.035 188 S CA 0.008 57.734 58.200 -0.789 0.000 0.940 188 S CB -0.166 62.231 63.200 -1.338 0.000 0.799 188 S HN 0.629 nan 8.310 nan 0.000 0.508 189 Y N 1.314 121.542 120.300 -0.121 0.000 2.393 189 Y HA 0.538 5.088 4.550 -0.000 0.000 0.341 189 Y C -0.284 175.611 175.900 -0.008 0.000 0.988 189 Y CA -2.329 55.759 58.100 -0.019 0.000 1.078 189 Y CB 0.595 39.059 38.460 0.007 0.000 1.203 189 Y HN -0.089 nan 8.280 nan 0.000 0.453 190 D N 3.903 124.426 120.400 0.206 0.000 2.505 190 D HA 0.169 4.809 4.640 -0.000 0.000 0.242 190 D C 0.912 177.260 176.300 0.080 0.000 1.136 190 D CA -0.008 54.050 54.000 0.096 0.000 0.954 190 D CB 0.412 41.256 40.800 0.074 0.000 1.002 190 D HN 0.469 nan 8.370 nan 0.000 0.512 191 I N 2.060 122.662 120.570 0.053 0.000 2.151 191 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 191 I C 2.370 178.466 176.117 -0.035 0.000 1.080 191 I CA 1.015 62.313 61.300 -0.004 0.000 1.339 191 I CB -1.293 36.679 38.000 -0.046 0.000 1.039 191 I HN 0.344 nan 8.210 nan 0.000 0.409 192 A N 0.748 123.544 122.820 -0.040 0.000 1.902 192 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 192 A C 2.361 179.905 177.584 -0.066 0.000 1.181 192 A CA 1.408 53.413 52.037 -0.054 0.000 0.623 192 A CB -0.374 18.598 19.000 -0.047 0.000 0.818 192 A HN 0.326 nan 8.150 nan 0.000 0.443 193 K N 0.028 120.404 120.400 -0.041 0.000 2.001 193 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 193 K C 2.029 178.575 176.600 -0.089 0.000 1.048 193 K CA 1.643 57.901 56.287 -0.047 0.000 0.932 193 K CB -0.662 31.852 32.500 0.022 0.000 0.715 193 K HN 0.799 nan 8.250 nan 0.000 0.437 194 I N -1.024 119.526 120.570 -0.033 0.000 2.394 194 I HA -0.154 4.016 4.170 -0.000 0.000 0.251 194 I C 1.901 177.957 176.117 -0.102 0.000 1.136 194 I CA 1.285 62.563 61.300 -0.037 0.000 1.425 194 I CB -0.434 37.529 38.000 -0.062 0.000 1.079 194 I HN -0.151 nan 8.210 nan 0.000 0.425 195 S N 0.963 116.599 115.700 -0.107 0.000 2.419 195 S HA -0.203 4.267 4.470 -0.000 0.000 0.235 195 S C 1.930 176.442 174.600 -0.146 0.000 1.019 195 S CA 1.581 59.722 58.200 -0.100 0.000 0.982 195 S CB -0.376 62.778 63.200 -0.076 0.000 0.789 195 S HN 0.619 nan 8.310 nan 0.000 0.490 196 Q N -0.199 119.438 119.800 -0.273 0.000 2.167 196 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 196 Q C 1.475 177.242 176.000 -0.389 0.000 0.970 196 Q CA 1.040 56.614 55.803 -0.381 0.000 0.855 196 Q CB -0.067 28.326 28.738 -0.575 0.000 0.911 196 Q HN 0.676 nan 8.270 nan 0.000 0.438 197 H N -1.112 117.922 119.070 -0.060 0.000 2.654 197 H HA 0.213 4.769 4.556 0.000 0.000 0.264 197 H C 0.293 175.567 175.328 -0.089 0.000 0.954 197 H CA 0.139 56.141 56.048 -0.077 0.000 1.199 197 H CB 0.518 30.215 29.762 -0.108 0.000 1.446 197 H HN 0.115 nan 8.280 nan 0.000 0.516 198 L N 1.775 122.991 121.223 -0.012 0.000 2.312 198 L HA 0.099 4.439 4.340 -0.000 0.000 0.281 198 L C 1.209 178.067 176.870 -0.020 0.000 1.070 198 L CA -0.333 54.474 54.840 -0.056 0.000 0.805 198 L CB 1.403 43.400 42.059 -0.104 0.000 1.174 198 L HN -0.004 nan 8.230 nan 0.000 0.434 199 D N 2.280 122.671 120.400 -0.015 0.000 2.149 199 D HA -0.039 4.601 4.640 -0.000 0.000 0.201 199 D C -0.112 176.312 176.300 0.208 0.000 0.972 199 D CA 1.603 55.664 54.000 0.102 0.000 0.835 199 D CB 0.284 41.188 40.800 0.173 0.000 0.966 199 D HN 0.352 nan 8.370 nan 0.000 0.476 200 F N -1.183 118.774 119.950 0.012 0.000 2.678 200 F HA 0.516 5.043 4.527 -0.000 0.000 0.308 200 F C -1.688 174.118 175.800 0.010 0.000 1.118 200 F CA -1.313 56.687 58.000 -0.000 0.000 0.959 200 F CB 0.921 39.904 39.000 -0.028 0.000 1.305 200 F HN -0.381 nan 8.300 nan 0.000 0.443 201 I N 2.213 122.911 120.570 0.214 0.000 2.406 201 I HA 0.422 4.592 4.170 -0.000 0.000 0.290 201 I C -0.640 175.620 176.117 0.238 0.000 0.999 201 I CA -0.777 60.595 61.300 0.120 0.000 1.124 201 I CB 2.179 40.203 38.000 0.040 0.000 1.289 201 I HN 0.649 nan 8.210 nan 0.000 0.441 202 S N 6.959 122.805 115.700 0.243 0.000 2.448 202 S HA 0.449 4.919 4.470 -0.000 0.000 0.320 202 S C -0.254 174.456 174.600 0.183 0.000 1.071 202 S CA -0.437 57.935 58.200 0.287 0.000 1.113 202 S CB 0.823 64.280 63.200 0.427 0.000 0.972 202 S HN 0.464 nan 8.310 nan 0.000 0.465 203 I N 4.047 124.699 120.570 0.137 0.000 2.352 203 I HA 0.277 4.447 4.170 -0.000 0.000 0.290 203 I C -0.103 176.020 176.117 0.011 0.000 1.036 203 I CA -0.775 60.566 61.300 0.068 0.000 1.336 203 I CB 0.639 38.684 38.000 0.075 0.000 1.407 203 I HN 0.623 nan 8.210 nan 0.000 0.497 204 M N 7.220 126.753 119.600 -0.111 0.000 3.596 204 M HA 0.055 4.535 4.480 -0.000 0.000 0.212 204 M C 0.546 176.374 176.300 -0.788 0.000 1.519 204 M CA 0.022 55.035 55.300 -0.479 0.000 1.670 204 M CB -0.488 31.831 32.600 -0.468 0.000 1.113 204 M HN 0.575 nan 8.290 nan 0.000 0.565 205 T N 0.450 114.734 114.554 -0.451 0.000 4.475 205 T HA 0.272 4.622 4.350 -0.000 0.000 0.254 205 T C -0.528 174.023 174.700 -0.249 0.000 1.160 205 T CA -0.277 61.658 62.100 -0.275 0.000 1.091 205 T CB -1.097 67.831 68.868 0.101 0.000 1.377 205 T HN 0.528 nan 8.240 nan 0.000 1.057 206 Y N -2.925 117.149 120.300 -0.376 0.000 2.871 206 Y HA 0.527 5.077 4.550 -0.000 0.000 0.331 206 Y C -0.479 175.320 175.900 -0.168 0.000 1.378 206 Y CA -1.910 56.093 58.100 -0.161 0.000 1.079 206 Y CB -0.092 38.387 38.460 0.032 0.000 1.441 206 Y HN 0.126 nan 8.280 nan 0.000 0.446 207 D N -0.205 120.568 120.400 0.623 0.000 2.800 207 D HA -0.189 4.451 4.640 -0.000 0.000 0.232 207 D C -0.035 176.342 176.300 0.129 0.000 1.137 207 D CA 1.113 55.305 54.000 0.320 0.000 0.718 207 D CB -1.291 39.609 40.800 0.167 0.000 1.084 207 D HN 0.572 nan 8.370 nan 0.000 0.432 208 F N -0.765 119.344 119.950 0.266 0.000 2.473 208 F HA 0.084 4.611 4.527 0.000 0.000 0.294 208 F C 1.496 177.416 175.800 0.200 0.000 1.103 208 F CA 0.313 58.426 58.000 0.189 0.000 1.442 208 F CB 0.193 39.294 39.000 0.168 0.000 1.097 208 F HN 0.051 nan 8.300 nan 0.000 0.547 209 H N 0.012 119.283 119.070 0.336 0.000 2.683 209 H HA 0.476 5.032 4.556 -0.000 0.000 0.270 209 H C 0.464 175.880 175.328 0.146 0.000 1.201 209 H CA -0.719 55.440 56.048 0.184 0.000 1.277 209 H CB 0.037 29.926 29.762 0.212 0.000 1.400 209 H HN 0.123 nan 8.280 nan 0.000 0.504 210 G N 1.799 110.502 108.800 -0.162 0.000 2.483 210 G HA2 0.290 4.250 3.960 -0.000 0.000 0.248 210 G HA3 0.290 4.250 3.960 -0.000 0.000 0.248 210 G C 0.994 175.751 174.900 -0.239 0.000 1.248 210 G CA 0.005 45.046 45.100 -0.098 0.000 0.838 210 G HN 0.777 nan 8.290 nan 0.000 0.566 211 A N 2.585 125.467 122.820 0.102 0.000 2.019 211 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 211 A C 1.939 179.501 177.584 -0.037 0.000 1.164 211 A CA 1.598 53.716 52.037 0.135 0.000 0.644 211 A CB -0.688 18.482 19.000 0.282 0.000 0.805 211 A HN 1.032 nan 8.150 nan 0.000 0.449 212 W N 0.540 121.840 121.300 0.001 0.000 2.389 212 W HA -0.207 4.453 4.660 -0.000 0.000 0.267 212 W C 1.381 177.856 176.519 -0.072 0.000 1.219 212 W CA 0.867 58.195 57.345 -0.028 0.000 1.189 212 W CB -0.623 28.826 29.460 -0.020 0.000 1.129 212 W HN 0.311 nan 8.180 nan 0.000 0.581 213 R N 0.963 121.012 120.500 -0.752 0.000 2.148 213 R HA 0.005 4.345 4.340 -0.000 0.000 0.227 213 R C 2.249 178.342 176.300 -0.345 0.000 1.103 213 R CA 1.468 57.059 56.100 -0.848 0.000 0.983 213 R CB -0.769 28.825 30.300 -1.176 0.000 0.874 213 R HN 0.417 nan 8.270 nan 0.000 0.451 214 G N 0.641 109.279 108.800 -0.270 0.000 2.175 214 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.244 214 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.244 214 G C 0.269 175.009 174.900 -0.268 0.000 0.982 214 G CA 0.511 45.497 45.100 -0.191 0.000 0.641 214 G HN 0.510 nan 8.290 nan 0.000 0.527 215 T N -1.873 112.452 114.554 -0.382 0.000 2.883 215 T HA 0.720 5.070 4.350 -0.000 0.000 0.296 215 T C 0.090 174.319 174.700 -0.785 0.000 1.117 215 T CA 0.419 62.242 62.100 -0.462 0.000 1.006 215 T CB 1.736 70.407 68.868 -0.328 0.000 1.191 215 T HN 1.244 nan 8.240 nan 0.000 0.508 216 T N -0.955 113.006 114.554 -0.987 0.000 2.918 216 T HA 0.632 4.982 4.350 -0.000 0.000 0.302 216 T C 0.495 174.500 174.700 -1.159 0.000 1.045 216 T CA -0.238 60.942 62.100 -1.533 0.000 1.114 216 T CB 0.531 68.087 68.868 -2.187 0.000 0.965 216 T HN 1.439 nan 8.240 nan 0.000 0.540 217 G N 0.622 108.801 108.800 -1.034 0.000 2.702 217 G HA2 0.360 4.320 3.960 -0.000 0.000 0.296 217 G HA3 0.360 4.320 3.960 -0.000 0.000 0.296 217 G C -1.565 173.302 174.900 -0.054 0.000 1.463 217 G CA -0.850 43.660 45.100 -0.982 0.000 0.890 217 G HN 0.966 nan 8.290 nan 0.000 0.534 218 H N 0.698 119.821 119.070 0.089 0.000 2.690 218 H HA 0.135 4.691 4.556 0.000 0.000 0.314 218 H C 1.507 177.017 175.328 0.303 0.000 1.069 218 H CA 0.418 56.650 56.048 0.307 0.000 1.436 218 H CB 1.186 31.073 29.762 0.208 0.000 1.462 218 H HN 0.846 nan 8.280 nan 0.000 0.511 219 H N 1.603 120.758 119.070 0.142 0.000 2.546 219 H HA 0.061 4.617 4.556 -0.000 0.000 0.277 219 H C 0.213 175.790 175.328 0.415 0.000 1.004 219 H CA 0.682 56.897 56.048 0.277 0.000 1.231 219 H CB 0.550 30.394 29.762 0.138 0.000 1.382 219 H HN 0.229 nan 8.280 nan 0.000 0.580 220 S N 1.816 117.540 115.700 0.041 0.000 2.407 220 S HA 0.260 4.730 4.470 -0.000 0.000 0.166 220 S C -2.878 171.826 174.600 0.174 0.000 1.445 220 S CA -1.264 56.996 58.200 0.100 0.000 1.260 220 S CB 0.218 63.229 63.200 -0.315 0.000 1.401 220 S HN 0.293 nan 8.310 nan 0.000 0.379 221 P HA 0.200 nan 4.420 nan 0.000 0.278 221 P C 0.829 178.004 177.300 -0.208 0.000 1.238 221 P CA -0.617 62.399 63.100 -0.140 0.000 0.794 221 P CB 1.161 32.810 31.700 -0.086 0.000 0.955 222 L N 2.221 123.250 121.223 -0.324 0.000 2.072 222 L HA 0.207 4.547 4.340 -0.000 0.000 0.205 222 L C 0.279 176.626 176.870 -0.872 0.000 1.079 222 L CA 1.734 56.183 54.840 -0.651 0.000 0.752 222 L CB -0.736 40.852 42.059 -0.785 0.000 0.906 222 L HN 0.231 nan 8.230 nan 0.000 0.436 223 F N -2.030 117.822 119.950 -0.163 0.000 2.631 223 F HA 0.426 4.953 4.527 0.000 0.000 0.328 223 F C 1.581 177.318 175.800 -0.105 0.000 1.067 223 F CA -0.762 57.169 58.000 -0.115 0.000 0.969 223 F CB 0.825 39.780 39.000 -0.075 0.000 1.332 223 F HN -0.319 nan 8.300 nan 0.000 0.490 224 R N 0.817 121.393 120.500 0.128 0.000 2.096 224 R HA 0.172 4.512 4.340 -0.000 0.000 0.235 224 R C 0.967 177.272 176.300 0.009 0.000 1.127 224 R CA 1.400 57.508 56.100 0.013 0.000 0.968 224 R CB -0.551 29.747 30.300 -0.003 0.000 0.861 224 R HN 1.019 nan 8.270 nan 0.000 0.440 225 G N 0.193 109.019 108.800 0.044 0.000 2.598 225 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.244 225 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.244 225 G C -0.926 173.967 174.900 -0.012 0.000 1.302 225 G CA 0.160 45.270 45.100 0.016 0.000 0.903 225 G HN 0.584 nan 8.290 nan 0.000 0.575 226 Q N 0.317 120.109 119.800 -0.014 0.000 2.520 226 Q HA -0.014 4.326 4.340 -0.000 0.000 0.320 226 Q C 1.641 177.619 176.000 -0.038 0.000 1.104 226 Q CA 0.904 56.693 55.803 -0.024 0.000 1.062 226 Q CB 0.153 28.880 28.738 -0.019 0.000 1.005 226 Q HN 0.563 nan 8.270 nan 0.000 0.390 227 E N 2.918 123.094 120.200 -0.040 0.000 2.114 227 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 227 E C 0.835 177.399 176.600 -0.059 0.000 1.008 227 E CA 1.972 58.342 56.400 -0.051 0.000 0.810 227 E CB 0.174 29.847 29.700 -0.044 0.000 0.739 227 E HN 0.841 nan 8.360 nan 0.000 0.456 228 D N -1.302 119.068 120.400 -0.050 0.000 2.340 228 D HA 0.046 4.686 4.640 -0.000 0.000 0.220 228 D C 0.819 177.085 176.300 -0.058 0.000 1.039 228 D CA 0.545 54.514 54.000 -0.053 0.000 0.866 228 D CB 0.217 40.991 40.800 -0.043 0.000 0.913 228 D HN 0.065 nan 8.370 nan 0.000 0.523 229 A N 0.067 122.852 122.820 -0.059 0.000 2.500 229 A HA 0.424 4.744 4.320 -0.000 0.000 0.267 229 A C 0.575 178.113 177.584 -0.077 0.000 1.290 229 A CA -0.273 51.724 52.037 -0.067 0.000 0.928 229 A CB -0.172 18.794 19.000 -0.057 0.000 1.066 229 A HN 0.218 nan 8.150 nan 0.000 0.516 230 S N -1.047 114.604 115.700 -0.081 0.000 2.532 230 S HA 0.637 5.107 4.470 -0.000 0.000 0.301 230 S C -2.015 172.522 174.600 -0.104 0.000 1.083 230 S CA -1.094 57.050 58.200 -0.092 0.000 1.025 230 S CB 1.697 64.831 63.200 -0.110 0.000 1.056 230 S HN -0.003 nan 8.310 nan 0.000 0.494 231 P HA 0.110 nan 4.420 nan 0.000 0.215 231 P C -0.304 176.892 177.300 -0.173 0.000 1.157 231 P CA 1.301 64.339 63.100 -0.104 0.000 0.859 231 P CB -0.091 31.563 31.700 -0.077 0.000 0.786 232 D N -3.061 117.171 120.400 -0.280 0.000 2.895 232 D HA 0.193 4.833 4.640 -0.000 0.000 0.320 232 D C 0.450 176.397 176.300 -0.589 0.000 1.249 232 D CA -0.870 52.811 54.000 -0.531 0.000 0.997 232 D CB 0.268 40.537 40.800 -0.885 0.000 1.430 232 D HN -0.081 nan 8.370 nan 0.000 0.558 233 R N -0.563 119.405 120.500 -0.887 0.000 2.362 233 R HA 0.253 4.593 4.340 -0.000 0.000 0.227 233 R C -0.025 175.867 176.300 -0.680 0.000 0.905 233 R CA -0.006 55.734 56.100 -0.599 0.000 1.067 233 R CB -0.361 29.692 30.300 -0.412 0.000 1.078 233 R HN 0.400 nan 8.270 nan 0.000 0.516 234 F N -1.723 117.865 119.950 -0.602 0.000 2.688 234 F HA 0.529 5.056 4.527 -0.000 0.000 0.310 234 F C 0.100 175.608 175.800 -0.487 0.000 1.098 234 F CA -1.430 56.053 58.000 -0.863 0.000 1.228 234 F CB 0.199 38.365 39.000 -1.390 0.000 1.042 234 F HN -0.198 nan 8.300 nan 0.000 0.557 235 S N 2.428 117.997 115.700 -0.219 0.000 3.513 235 S HA 0.313 4.783 4.470 -0.000 0.000 0.209 235 S C -0.446 173.532 174.600 -1.037 0.000 1.446 235 S CA -0.382 57.523 58.200 -0.491 0.000 1.150 235 S CB -1.271 61.883 63.200 -0.076 0.000 1.266 235 S HN 0.694 nan 8.310 nan 0.000 0.502 236 N N -2.443 115.529 118.700 -1.214 0.000 2.859 236 N HA 0.237 4.977 4.740 -0.000 0.000 0.250 236 N C 0.391 175.639 175.510 -0.436 0.000 1.341 236 N CA -0.780 51.786 53.050 -0.806 0.000 0.881 236 N CB 0.119 38.411 38.487 -0.324 0.000 1.516 236 N HN -0.190 nan 8.380 nan 0.000 0.503 237 T N -0.554 113.893 114.554 -0.178 0.000 2.635 237 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 237 T C 1.005 175.646 174.700 -0.098 0.000 1.040 237 T CA 2.144 64.219 62.100 -0.041 0.000 1.156 237 T CB -0.697 68.053 68.868 -0.196 0.000 0.863 237 T HN 0.807 nan 8.240 nan 0.000 0.430 238 D N -0.096 120.138 120.400 -0.277 0.000 2.133 238 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 238 D C 1.875 178.239 176.300 0.107 0.000 0.997 238 D CA 1.270 55.210 54.000 -0.100 0.000 0.840 238 D CB -0.356 40.427 40.800 -0.028 0.000 0.947 238 D HN 0.490 nan 8.370 nan 0.000 0.452 239 Y N 0.576 120.897 120.300 0.034 0.000 2.163 239 Y HA -0.037 4.513 4.550 -0.000 0.000 0.288 239 Y C 2.257 178.249 175.900 0.153 0.000 1.136 239 Y CA 1.848 60.002 58.100 0.091 0.000 1.147 239 Y CB -0.776 37.712 38.460 0.047 0.000 0.987 239 Y HN 0.058 nan 8.280 nan 0.000 0.509 240 A N -0.527 122.488 122.820 0.324 0.000 1.883 240 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 240 A C 2.362 180.067 177.584 0.201 0.000 1.186 240 A CA 2.206 54.440 52.037 0.328 0.000 0.624 240 A CB -1.387 17.840 19.000 0.379 0.000 0.822 240 A HN 0.337 nan 8.150 nan 0.000 0.444 241 V N -0.116 119.897 119.914 0.165 0.000 2.223 241 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 241 V C 2.898 179.052 176.094 0.099 0.000 1.045 241 V CA 2.139 64.531 62.300 0.153 0.000 1.000 241 V CB -1.627 30.343 31.823 0.246 0.000 0.635 241 V HN 0.613 nan 8.190 nan 0.000 0.445 242 G N -1.595 107.252 108.800 0.077 0.000 2.513 242 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.219 242 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.219 242 G C 1.582 176.477 174.900 -0.007 0.000 1.160 242 G CA 1.521 46.630 45.100 0.016 0.000 0.767 242 G HN 0.527 nan 8.290 nan 0.000 0.571 243 Y N 0.876 121.033 120.300 -0.238 0.000 2.145 243 Y HA -0.046 4.504 4.550 -0.000 0.000 0.286 243 Y C 2.981 178.848 175.900 -0.055 0.000 1.145 243 Y CA 1.519 59.502 58.100 -0.196 0.000 1.148 243 Y CB -0.218 38.104 38.460 -0.230 0.000 0.981 243 Y HN 0.112 nan 8.280 nan 0.000 0.507 244 M N -0.850 118.747 119.600 -0.006 0.000 2.117 244 M HA -0.250 4.230 4.480 -0.000 0.000 0.262 244 M C 2.222 178.471 176.300 -0.086 0.000 1.065 244 M CA 1.573 56.829 55.300 -0.072 0.000 1.114 244 M CB -0.776 31.831 32.600 0.012 0.000 1.361 244 M HN 0.333 nan 8.290 nan 0.000 0.408 245 L N -0.554 120.645 121.223 -0.040 0.000 1.989 245 L HA -0.262 4.078 4.340 -0.000 0.000 0.211 245 L C 2.688 179.519 176.870 -0.065 0.000 1.071 245 L CA 1.546 56.364 54.840 -0.036 0.000 0.749 245 L CB -0.712 41.341 42.059 -0.011 0.000 0.890 245 L HN 0.294 nan 8.230 nan 0.000 0.431 246 R N -0.030 120.423 120.500 -0.079 0.000 2.117 246 R HA -0.164 4.176 4.340 -0.000 0.000 0.243 246 R C 2.170 178.387 176.300 -0.139 0.000 1.143 246 R CA 1.243 57.291 56.100 -0.087 0.000 0.968 246 R CB -0.371 29.895 30.300 -0.056 0.000 0.863 246 R HN 0.372 nan 8.270 nan 0.000 0.444 247 L N -0.732 120.348 121.223 -0.238 0.000 2.549 247 L HA -0.002 4.338 4.340 -0.000 0.000 0.229 247 L C 1.166 177.958 176.870 -0.130 0.000 1.158 247 L CA 0.899 55.598 54.840 -0.236 0.000 0.842 247 L CB -0.046 41.804 42.059 -0.348 0.000 0.952 247 L HN 0.571 nan 8.230 nan 0.000 0.452 248 G N -0.529 108.212 108.800 -0.098 0.000 2.159 248 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.170 248 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.170 248 G C 0.189 175.054 174.900 -0.058 0.000 1.007 248 G CA -0.207 44.852 45.100 -0.068 0.000 0.672 248 G HN 0.401 nan 8.290 nan 0.000 0.507 249 A N 0.972 123.758 122.820 -0.056 0.000 2.302 249 A HA 0.746 5.066 4.320 -0.000 0.000 0.295 249 A C -1.745 175.827 177.584 -0.021 0.000 1.235 249 A CA -1.186 50.828 52.037 -0.038 0.000 0.876 249 A CB 0.387 19.368 19.000 -0.031 0.000 1.133 249 A HN 0.124 nan 8.150 nan 0.000 0.533 250 P HA 0.187 nan 4.420 nan 0.000 0.268 250 P C 0.941 178.248 177.300 0.013 0.000 1.205 250 P CA 0.384 63.482 63.100 -0.004 0.000 0.771 250 P CB 0.998 32.696 31.700 -0.003 0.000 0.858 251 A N 3.032 125.861 122.820 0.014 0.000 1.940 251 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 251 A C 2.116 179.727 177.584 0.044 0.000 1.176 251 A CA 2.263 54.316 52.037 0.027 0.000 0.631 251 A CB -1.653 17.359 19.000 0.020 0.000 0.814 251 A HN 0.612 nan 8.150 nan 0.000 0.446 252 S N -0.806 114.916 115.700 0.036 0.000 2.474 252 S HA -0.060 4.410 4.470 -0.000 0.000 0.235 252 S C 1.384 176.019 174.600 0.058 0.000 0.997 252 S CA 1.438 59.663 58.200 0.042 0.000 0.949 252 S CB -0.191 63.024 63.200 0.025 0.000 0.766 252 S HN 0.594 nan 8.310 nan 0.000 0.517 253 K N 0.012 120.450 120.400 0.063 0.000 2.414 253 K HA 0.365 4.685 4.320 -0.000 0.000 0.204 253 K C -0.849 175.822 176.600 0.119 0.000 1.026 253 K CA -0.248 56.096 56.287 0.097 0.000 1.108 253 K CB 0.419 32.961 32.500 0.070 0.000 0.855 253 K HN 0.251 nan 8.250 nan 0.000 0.517 254 L N 1.598 122.878 121.223 0.095 0.000 2.280 254 L HA 0.290 4.630 4.340 -0.000 0.000 0.287 254 L C -0.922 176.013 176.870 0.108 0.000 1.023 254 L CA -0.653 54.248 54.840 0.101 0.000 0.819 254 L CB 1.459 43.562 42.059 0.074 0.000 1.212 254 L HN -0.251 nan 8.230 nan 0.000 0.420 255 V N 5.971 125.966 119.914 0.136 0.000 2.427 255 V HA 0.417 4.537 4.120 -0.000 0.000 0.286 255 V C 0.259 176.436 176.094 0.137 0.000 1.034 255 V CA -0.520 61.847 62.300 0.112 0.000 0.893 255 V CB 1.550 33.437 31.823 0.107 0.000 0.982 255 V HN 0.805 nan 8.190 nan 0.000 0.452 256 M N 4.005 123.678 119.600 0.120 0.000 2.080 256 M HA 0.525 5.005 4.480 -0.000 0.000 0.350 256 M C 0.652 177.052 176.300 0.166 0.000 1.173 256 M CA -0.322 55.059 55.300 0.136 0.000 1.052 256 M CB 0.704 33.381 32.600 0.128 0.000 1.577 256 M HN 0.840 nan 8.290 nan 0.000 0.455 257 G N 6.467 115.386 108.800 0.199 0.000 2.313 257 G HA2 0.402 4.362 3.960 -0.000 0.000 0.250 257 G HA3 0.402 4.362 3.960 -0.000 0.000 0.250 257 G C -0.633 174.456 174.900 0.316 0.000 1.281 257 G CA -0.343 44.944 45.100 0.312 0.000 0.917 257 G HN 0.802 nan 8.290 nan 0.000 0.501 258 I N 5.105 125.865 120.570 0.317 0.000 2.439 258 I HA 0.282 4.452 4.170 -0.000 0.000 0.285 258 I C -2.150 174.083 176.117 0.193 0.000 1.021 258 I CA -2.285 59.140 61.300 0.208 0.000 1.091 258 I CB 3.112 41.176 38.000 0.107 0.000 1.242 258 I HN 0.345 nan 8.210 nan 0.000 0.439 259 P HA 0.145 nan 4.420 nan 0.000 0.278 259 P C 0.336 177.610 177.300 -0.043 0.000 1.238 259 P CA -0.186 62.847 63.100 -0.111 0.000 0.794 259 P CB 1.443 32.800 31.700 -0.573 0.000 0.955 260 T N -1.070 113.552 114.554 0.113 0.000 3.054 260 T HA 0.240 4.590 4.350 -0.000 0.000 0.255 260 T C 0.558 175.391 174.700 0.221 0.000 1.035 260 T CA -0.255 61.915 62.100 0.117 0.000 0.941 260 T CB -0.713 68.233 68.868 0.130 0.000 1.026 260 T HN 0.352 nan 8.240 nan 0.000 0.533 261 F N 0.461 120.475 119.950 0.106 0.000 2.509 261 F HA 0.918 5.445 4.527 0.000 0.000 0.334 261 F C 0.217 176.100 175.800 0.138 0.000 1.060 261 F CA -1.889 56.153 58.000 0.069 0.000 0.997 261 F CB 0.715 39.712 39.000 -0.004 0.000 1.271 261 F HN 0.060 nan 8.300 nan 0.000 0.488 262 G N 0.405 109.266 108.800 0.101 0.000 2.511 262 G HA2 0.588 4.548 3.960 -0.000 0.000 0.318 262 G HA3 0.588 4.548 3.960 -0.000 0.000 0.318 262 G C -1.368 173.447 174.900 -0.142 0.000 1.210 262 G CA -1.295 43.808 45.100 0.004 0.000 0.969 262 G HN 0.584 nan 8.290 nan 0.000 0.484 263 R N 0.573 120.908 120.500 -0.275 0.000 2.295 263 R HA 0.465 4.805 4.340 -0.000 0.000 0.324 263 R C -0.127 175.895 176.300 -0.463 0.000 0.968 263 R CA -0.375 55.510 56.100 -0.359 0.000 0.837 263 R CB 1.533 31.602 30.300 -0.384 0.000 1.133 263 R HN 0.692 nan 8.270 nan 0.000 0.450 264 S N 2.308 117.691 115.700 -0.528 0.000 2.638 264 S HA 0.794 5.264 4.470 -0.000 0.000 0.298 264 S C -0.476 173.698 174.600 -0.710 0.000 1.111 264 S CA -0.598 57.289 58.200 -0.521 0.000 1.027 264 S CB 1.286 64.311 63.200 -0.291 0.000 1.064 264 S HN 0.331 nan 8.310 nan 0.000 0.525 265 F N -0.596 119.428 119.950 0.122 0.000 2.613 265 F HA 0.536 5.063 4.527 0.000 0.000 0.314 265 F C 0.203 176.049 175.800 0.076 0.000 1.075 265 F CA -0.853 57.185 58.000 0.065 0.000 0.945 265 F CB 1.999 40.994 39.000 -0.008 0.000 1.310 265 F HN 0.493 nan 8.300 nan 0.000 0.467 266 T N 3.351 118.053 114.554 0.246 0.000 2.743 266 T HA 0.537 4.887 4.350 -0.000 0.000 0.292 266 T C -0.041 174.736 174.700 0.129 0.000 0.972 266 T CA -0.503 61.694 62.100 0.162 0.000 0.967 266 T CB 0.252 69.186 68.868 0.109 0.000 0.926 266 T HN 0.290 nan 8.240 nan 0.000 0.459 267 L N 2.142 123.445 121.223 0.132 0.000 2.467 267 L HA 0.379 4.719 4.340 -0.000 0.000 0.270 267 L C 1.370 178.264 176.870 0.040 0.000 1.205 267 L CA -0.375 54.504 54.840 0.066 0.000 0.828 267 L CB 0.390 42.514 42.059 0.107 0.000 1.101 267 L HN 0.749 nan 8.230 nan 0.000 0.479 268 A N 1.104 123.923 122.820 -0.001 0.000 2.390 268 A HA 0.319 4.639 4.320 -0.000 0.000 0.232 268 A C 0.635 178.221 177.584 0.003 0.000 1.233 268 A CA 0.580 52.617 52.037 0.000 0.000 0.907 268 A CB 0.056 19.044 19.000 -0.021 0.000 0.967 268 A HN 0.755 nan 8.150 nan 0.000 0.512 269 S N -1.917 113.787 115.700 0.008 0.000 2.757 269 S HA 0.348 4.818 4.470 -0.000 0.000 0.285 269 S C 0.770 175.389 174.600 0.032 0.000 1.196 269 S CA 0.496 58.704 58.200 0.013 0.000 0.856 269 S CB 0.381 63.578 63.200 -0.004 0.000 1.212 269 S HN 0.760 nan 8.310 nan 0.000 0.516 270 S N -0.554 115.165 115.700 0.032 0.000 2.561 270 S HA 0.156 4.626 4.470 -0.000 0.000 0.225 270 S C 0.125 174.757 174.600 0.053 0.000 0.977 270 S CA 0.040 58.269 58.200 0.048 0.000 0.926 270 S CB -0.788 62.436 63.200 0.040 0.000 0.769 270 S HN 0.679 nan 8.310 nan 0.000 0.533 271 E N 1.898 122.116 120.200 0.030 0.000 2.316 271 E HA 0.268 4.618 4.350 -0.000 0.000 0.275 271 E C 0.622 177.250 176.600 0.047 0.000 1.029 271 E CA 0.263 56.677 56.400 0.022 0.000 0.871 271 E CB 1.022 30.708 29.700 -0.022 0.000 1.022 271 E HN 0.508 nan 8.360 nan 0.000 0.418 272 T N -0.618 113.998 114.554 0.102 0.000 3.145 272 T HA 0.282 4.632 4.350 -0.000 0.000 0.281 272 T C 0.730 175.604 174.700 0.291 0.000 1.003 272 T CA -0.313 61.932 62.100 0.242 0.000 0.901 272 T CB 0.436 69.507 68.868 0.337 0.000 1.112 272 T HN 0.373 nan 8.240 nan 0.000 0.535 273 G N 1.122 109.978 108.800 0.093 0.000 2.525 273 G HA2 0.534 4.494 3.960 -0.000 0.000 0.287 273 G HA3 0.534 4.494 3.960 -0.000 0.000 0.287 273 G C -0.442 174.383 174.900 -0.124 0.000 1.350 273 G CA -0.634 44.506 45.100 0.066 0.000 1.039 273 G HN 0.315 nan 8.290 nan 0.000 0.513 274 V N 0.559 120.413 119.914 -0.099 0.000 2.655 274 V HA 0.425 4.544 4.120 -0.000 0.000 0.300 274 V C 1.521 177.453 176.094 -0.270 0.000 1.044 274 V CA 1.578 63.755 62.300 -0.205 0.000 1.095 274 V CB 0.477 32.271 31.823 -0.049 0.000 0.952 274 V HN 1.799 nan 8.190 nan 0.000 0.485 275 G N 3.638 112.190 108.800 -0.413 0.000 2.143 275 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.249 275 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.249 275 G C 0.339 175.051 174.900 -0.313 0.000 0.981 275 G CA 0.091 44.996 45.100 -0.325 0.000 0.665 275 G HN 1.503 nan 8.290 nan 0.000 0.528 276 A N 1.040 123.620 122.820 -0.401 0.000 2.388 276 A HA 0.691 5.011 4.320 -0.000 0.000 0.257 276 A C -1.113 176.278 177.584 -0.321 0.000 1.095 276 A CA -0.744 51.107 52.037 -0.311 0.000 0.791 276 A CB 0.484 19.298 19.000 -0.310 0.000 1.029 276 A HN 0.283 nan 8.150 nan 0.000 0.489 277 P HA 0.258 nan 4.420 nan 0.000 0.268 277 P C -0.512 176.678 177.300 -0.184 0.000 1.204 277 P CA 0.435 63.424 63.100 -0.185 0.000 0.768 277 P CB 0.510 32.142 31.700 -0.113 0.000 0.842 278 I N -0.503 119.952 120.570 -0.190 0.000 2.957 278 I HA 0.492 4.662 4.170 -0.000 0.000 0.310 278 I C 0.661 176.743 176.117 -0.059 0.000 1.063 278 I CA -0.990 60.231 61.300 -0.132 0.000 1.033 278 I CB 2.328 40.207 38.000 -0.201 0.000 1.230 278 I HN 0.218 nan 8.210 nan 0.000 0.447 279 S N 1.133 116.832 115.700 -0.002 0.000 2.523 279 S HA 0.687 5.157 4.470 -0.000 0.000 0.217 279 S C 0.617 175.243 174.600 0.043 0.000 0.996 279 S CA 0.140 58.350 58.200 0.017 0.000 0.921 279 S CB 0.198 63.414 63.200 0.026 0.000 0.829 279 S HN 1.487 nan 8.310 nan 0.000 0.495 280 G N 1.493 110.336 108.800 0.072 0.000 2.343 280 G HA2 0.364 4.324 3.960 -0.000 0.000 0.289 280 G HA3 0.364 4.324 3.960 -0.000 0.000 0.289 280 G C -3.521 171.483 174.900 0.173 0.000 1.295 280 G CA -0.706 44.458 45.100 0.107 0.000 0.869 280 G HN 0.070 nan 8.290 nan 0.000 0.522 281 P HA 0.377 nan 4.420 nan 0.000 0.271 281 P C 0.794 178.131 177.300 0.062 0.000 1.233 281 P CA 0.585 63.749 63.100 0.107 0.000 0.789 281 P CB 0.566 32.296 31.700 0.049 0.000 0.951 282 G N 1.010 109.799 108.800 -0.018 0.000 2.606 282 G HA2 0.285 4.245 3.960 -0.000 0.000 0.252 282 G HA3 0.285 4.245 3.960 -0.000 0.000 0.252 282 G C 0.158 175.042 174.900 -0.026 0.000 1.206 282 G CA -0.810 44.276 45.100 -0.023 0.000 0.861 282 G HN 0.456 nan 8.290 nan 0.000 0.561 283 I N 1.811 122.373 120.570 -0.013 0.000 2.683 283 I HA 0.030 4.200 4.170 -0.000 0.000 0.286 283 I C -1.600 174.497 176.117 -0.033 0.000 1.175 283 I CA -1.062 60.234 61.300 -0.006 0.000 1.429 283 I CB 0.998 39.009 38.000 0.018 0.000 1.371 283 I HN 0.239 nan 8.210 nan 0.000 0.569 284 P HA 0.003 nan 4.420 nan 0.000 0.265 284 P C 0.003 177.285 177.300 -0.030 0.000 1.187 284 P CA -0.063 63.023 63.100 -0.024 0.000 0.766 284 P CB 0.423 32.118 31.700 -0.007 0.000 0.820 285 G N 2.095 110.875 108.800 -0.034 0.000 2.503 285 G HA2 0.052 4.012 3.960 -0.000 0.000 0.257 285 G HA3 0.052 4.012 3.960 -0.000 0.000 0.257 285 G C 0.974 175.854 174.900 -0.032 0.000 1.214 285 G CA -0.277 44.807 45.100 -0.026 0.000 0.839 285 G HN 0.286 nan 8.290 nan 0.000 0.559 286 R N 0.891 121.337 120.500 -0.090 0.000 2.105 286 R HA -0.056 4.284 4.340 -0.000 0.000 0.239 286 R C 1.873 177.924 176.300 -0.416 0.000 1.135 286 R CA 1.665 57.584 56.100 -0.300 0.000 0.967 286 R CB -0.444 29.565 30.300 -0.486 0.000 0.861 286 R HN 0.647 nan 8.270 nan 0.000 0.442 287 F N -1.857 118.173 119.950 0.134 0.000 2.383 287 F HA 0.087 4.614 4.527 -0.000 0.000 0.287 287 F C 2.296 178.181 175.800 0.142 0.000 1.069 287 F CA 1.079 59.184 58.000 0.176 0.000 1.402 287 F CB -0.697 38.483 39.000 0.299 0.000 1.116 287 F HN 0.032 nan 8.300 nan 0.000 0.549 288 T N -2.163 112.547 114.554 0.260 0.000 3.055 288 T HA -0.017 4.333 4.350 -0.000 0.000 0.265 288 T C 0.789 175.556 174.700 0.111 0.000 1.111 288 T CA 0.029 62.228 62.100 0.165 0.000 1.118 288 T CB -0.685 68.230 68.868 0.078 0.000 0.909 288 T HN 0.159 nan 8.240 nan 0.000 0.501 289 K N 1.737 122.181 120.400 0.073 0.000 3.602 289 K HA -0.207 4.113 4.320 -0.000 0.000 0.274 289 K C -0.185 176.437 176.600 0.036 0.000 0.864 289 K CA 0.772 57.083 56.287 0.041 0.000 0.682 289 K CB -1.351 31.179 32.500 0.050 0.000 1.576 289 K HN 0.765 nan 8.250 nan 0.000 0.447 290 E N 0.340 120.551 120.200 0.019 0.000 2.343 290 E HA 0.418 4.768 4.350 -0.000 0.000 0.260 290 E C -0.731 175.860 176.600 -0.015 0.000 0.908 290 E CA -0.473 55.932 56.400 0.008 0.000 0.814 290 E CB 1.195 30.902 29.700 0.012 0.000 1.302 290 E HN 0.334 nan 8.360 nan 0.000 0.408 291 A N 2.704 125.518 122.820 -0.010 0.000 2.584 291 A HA 0.369 4.689 4.320 -0.000 0.000 0.239 291 A C 1.332 178.892 177.584 -0.041 0.000 1.043 291 A CA 1.273 53.299 52.037 -0.019 0.000 0.756 291 A CB -0.408 18.594 19.000 0.003 0.000 0.963 291 A HN 1.303 nan 8.150 nan 0.000 0.511 292 G N 1.826 110.579 108.800 -0.078 0.000 2.176 292 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.253 292 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.253 292 G C 0.330 175.134 174.900 -0.161 0.000 0.979 292 G CA 0.581 45.598 45.100 -0.138 0.000 0.641 292 G HN 1.425 nan 8.290 nan 0.000 0.530 293 T N 0.510 114.997 114.554 -0.111 0.000 2.893 293 T HA 0.720 5.070 4.350 -0.000 0.000 0.293 293 T C -0.536 174.119 174.700 -0.076 0.000 1.027 293 T CA -0.394 61.660 62.100 -0.076 0.000 0.988 293 T CB 2.111 70.935 68.868 -0.073 0.000 1.043 293 T HN 0.475 nan 8.240 nan 0.000 0.461 294 L N 1.891 123.084 121.223 -0.051 0.000 2.493 294 L HA 0.715 5.055 4.340 -0.000 0.000 0.265 294 L C 0.078 176.901 176.870 -0.078 0.000 0.954 294 L CA -1.252 53.524 54.840 -0.107 0.000 0.844 294 L CB 1.858 43.803 42.059 -0.191 0.000 1.302 294 L HN 0.763 nan 8.230 nan 0.000 0.405 295 A N 1.205 123.886 122.820 -0.232 0.000 2.386 295 A HA 0.159 4.479 4.320 -0.000 0.000 0.248 295 A C 0.537 177.944 177.584 -0.294 0.000 1.082 295 A CA 0.109 51.953 52.037 -0.323 0.000 0.789 295 A CB 0.118 18.585 19.000 -0.888 0.000 1.025 295 A HN 0.775 nan 8.150 nan 0.000 0.490 296 Y N 1.727 121.912 120.300 -0.191 0.000 2.139 296 Y HA -0.372 4.178 4.550 -0.000 0.000 0.282 296 Y C 2.043 177.874 175.900 -0.116 0.000 1.179 296 Y CA 3.085 61.137 58.100 -0.080 0.000 1.161 296 Y CB -0.708 37.787 38.460 0.058 0.000 0.970 296 Y HN 0.849 nan 8.280 nan 0.000 0.511 297 Y N -1.080 119.131 120.300 -0.148 0.000 2.333 297 Y HA -0.049 4.501 4.550 -0.000 0.000 0.290 297 Y C 1.857 177.540 175.900 -0.361 0.000 1.144 297 Y CA 1.166 59.027 58.100 -0.399 0.000 1.228 297 Y CB -1.198 36.778 38.460 -0.806 0.000 0.985 297 Y HN 0.188 nan 8.280 nan 0.000 0.542 298 E N 0.909 120.859 120.200 -0.417 0.000 2.112 298 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 298 E C 2.136 178.675 176.600 -0.102 0.000 0.979 298 E CA 1.152 57.483 56.400 -0.116 0.000 0.814 298 E CB -0.183 29.432 29.700 -0.142 0.000 0.762 298 E HN 0.535 nan 8.360 nan 0.000 0.460 299 I N 0.975 121.395 120.570 -0.251 0.000 2.208 299 I HA -0.356 3.814 4.170 -0.000 0.000 0.245 299 I C 2.413 178.394 176.117 -0.227 0.000 1.097 299 I CA 0.761 61.886 61.300 -0.292 0.000 1.363 299 I CB -0.377 37.305 38.000 -0.530 0.000 1.051 299 I HN 0.256 nan 8.210 nan 0.000 0.413 300 c N 0.484 118.888 118.600 -0.328 0.000 2.413 300 c HA -0.225 4.345 4.570 -0.000 0.000 0.276 300 c C 2.682 176.756 174.090 -0.027 0.000 1.248 300 c CA 1.320 57.524 56.329 -0.207 0.000 1.742 300 c CB -1.050 41.346 42.510 -0.190 0.000 2.017 300 c HN 0.592 nan 8.230 nan 0.000 0.481 301 D N -0.414 120.026 120.400 0.068 0.000 2.117 301 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 301 D C 2.011 178.367 176.300 0.093 0.000 0.982 301 D CA 1.124 55.198 54.000 0.123 0.000 0.828 301 D CB -0.332 40.605 40.800 0.227 0.000 0.967 301 D HN 0.460 nan 8.370 nan 0.000 0.464 302 F N 1.778 121.694 119.950 -0.056 0.000 2.126 302 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 302 F C 2.251 178.006 175.800 -0.076 0.000 1.096 302 F CA 1.042 59.001 58.000 -0.068 0.000 1.255 302 F CB -0.466 38.467 39.000 -0.113 0.000 0.997 302 F HN -0.065 nan 8.300 nan 0.000 0.479 303 L N 0.278 121.435 121.223 -0.110 0.000 2.261 303 L HA -0.171 4.169 4.340 -0.000 0.000 0.216 303 L C 0.907 177.663 176.870 -0.190 0.000 1.114 303 L CA 0.757 55.489 54.840 -0.181 0.000 0.777 303 L CB -0.678 41.327 42.059 -0.090 0.000 0.910 303 L HN -0.039 nan 8.230 nan 0.000 0.440 304 R N 0.543 120.953 120.500 -0.150 0.000 2.345 304 R HA 0.183 4.523 4.340 -0.000 0.000 0.331 304 R C 1.053 177.260 176.300 -0.156 0.000 1.067 304 R CA 0.673 56.704 56.100 -0.114 0.000 0.962 304 R CB 0.111 30.374 30.300 -0.062 0.000 0.987 304 R HN 0.326 nan 8.270 nan 0.000 0.451 305 G N 1.499 110.215 108.800 -0.140 0.000 2.195 305 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.246 305 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.246 305 G C 0.257 175.047 174.900 -0.184 0.000 0.984 305 G CA -0.015 45.004 45.100 -0.136 0.000 0.633 305 G HN 0.789 nan 8.290 nan 0.000 0.525 306 A N -0.471 122.188 122.820 -0.269 0.000 2.246 306 A HA 0.843 5.163 4.320 -0.000 0.000 0.291 306 A C 0.386 177.867 177.584 -0.171 0.000 1.103 306 A CA 0.809 52.659 52.037 -0.311 0.000 0.844 306 A CB 0.811 19.487 19.000 -0.540 0.000 1.136 306 A HN 0.766 nan 8.150 nan 0.000 0.500 307 T N 0.425 114.907 114.554 -0.119 0.000 2.824 307 T HA 0.524 4.873 4.350 -0.000 0.000 0.282 307 T C -0.613 173.933 174.700 -0.257 0.000 0.993 307 T CA -0.289 61.717 62.100 -0.157 0.000 0.967 307 T CB 1.228 70.053 68.868 -0.073 0.000 0.960 307 T HN 0.451 nan 8.240 nan 0.000 0.441 308 V N 4.417 124.110 119.914 -0.369 0.000 2.612 308 V HA 0.506 4.626 4.120 -0.000 0.000 0.301 308 V C -0.364 175.299 176.094 -0.718 0.000 1.046 308 V CA -0.796 61.279 62.300 -0.375 0.000 0.946 308 V CB 1.323 33.057 31.823 -0.148 0.000 1.003 308 V HN 0.847 nan 8.190 nan 0.000 0.459 309 H N 3.764 122.548 119.070 -0.476 0.000 2.759 309 H HA 0.502 5.058 4.556 -0.000 0.000 0.354 309 H C -0.861 174.218 175.328 -0.416 0.000 1.074 309 H CA -0.930 54.823 56.048 -0.492 0.000 1.226 309 H CB 2.146 31.452 29.762 -0.761 0.000 1.648 309 H HN 0.485 nan 8.280 nan 0.000 0.529 310 R N 2.573 123.010 120.500 -0.106 0.000 2.349 310 R HA 0.372 4.712 4.340 -0.000 0.000 0.299 310 R C 0.209 176.509 176.300 -0.001 0.000 1.027 310 R CA -0.743 55.311 56.100 -0.076 0.000 0.958 310 R CB 1.221 31.488 30.300 -0.055 0.000 1.047 310 R HN 0.527 nan 8.270 nan 0.000 0.468 311 I N 4.680 125.266 120.570 0.027 0.000 2.308 311 I HA -0.031 4.139 4.170 -0.000 0.000 0.293 311 I C 1.955 178.096 176.117 0.041 0.000 1.078 311 I CA -0.151 61.204 61.300 0.091 0.000 1.292 311 I CB 0.520 38.594 38.000 0.123 0.000 1.423 311 I HN 0.461 nan 8.210 nan 0.000 0.493 312 L N 5.175 126.426 121.223 0.045 0.000 2.034 312 L HA -0.244 4.096 4.340 -0.000 0.000 0.217 312 L C 2.310 179.190 176.870 0.018 0.000 1.077 312 L CA 2.149 57.004 54.840 0.024 0.000 0.769 312 L CB -0.627 41.445 42.059 0.022 0.000 0.890 312 L HN 0.837 nan 8.230 nan 0.000 0.435 313 G N -1.805 107.008 108.800 0.023 0.000 2.777 313 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.211 313 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.211 313 G C 1.340 176.287 174.900 0.078 0.000 1.149 313 G CA -0.038 45.074 45.100 0.020 0.000 0.785 313 G HN 0.460 nan 8.290 nan 0.000 0.536 314 Q N -0.803 119.035 119.800 0.063 0.000 2.317 314 Q HA 0.142 4.482 4.340 -0.000 0.000 0.220 314 Q C 0.433 176.442 176.000 0.014 0.000 0.873 314 Q CA -0.172 55.662 55.803 0.053 0.000 0.936 314 Q CB 0.564 29.274 28.738 -0.047 0.000 1.105 314 Q HN 0.267 nan 8.270 nan 0.000 0.520 315 Q N -0.312 119.501 119.800 0.021 0.000 2.494 315 Q HA -0.134 4.206 4.340 -0.000 0.000 0.272 315 Q C -0.585 175.343 176.000 -0.120 0.000 1.145 315 Q CA 1.075 56.873 55.803 -0.007 0.000 0.943 315 Q CB -2.263 26.526 28.738 0.086 0.000 1.338 315 Q HN 0.347 nan 8.270 nan 0.000 0.492 316 V N -3.944 115.847 119.914 -0.204 0.000 3.078 316 V HA 0.907 5.027 4.120 -0.000 0.000 0.311 316 V C -2.658 173.282 176.094 -0.257 0.000 1.138 316 V CA -2.117 59.985 62.300 -0.330 0.000 1.007 316 V CB 2.711 34.085 31.823 -0.748 0.000 1.045 316 V HN -0.088 nan 8.190 nan 0.000 0.432 317 P HA 0.623 nan 4.420 nan 0.000 0.287 317 P C -2.065 175.177 177.300 -0.096 0.000 1.292 317 P CA -0.430 62.531 63.100 -0.232 0.000 0.879 317 P CB 1.975 33.470 31.700 -0.342 0.000 1.214 318 Y N -1.953 118.297 120.300 -0.084 0.000 2.588 318 Y HA 0.842 5.392 4.550 -0.000 0.000 0.343 318 Y C -1.784 174.104 175.900 -0.020 0.000 1.065 318 Y CA -1.668 56.330 58.100 -0.170 0.000 1.038 318 Y CB 0.887 38.878 38.460 -0.781 0.000 1.297 318 Y HN 0.610 nan 8.280 nan 0.000 0.467 319 A N 1.356 124.300 122.820 0.208 0.000 2.435 319 A HA 0.804 5.123 4.320 -0.000 0.000 0.304 319 A C -1.045 176.714 177.584 0.293 0.000 1.064 319 A CA -0.559 51.609 52.037 0.220 0.000 0.727 319 A CB 1.835 21.017 19.000 0.304 0.000 1.284 319 A HN 1.010 nan 8.150 nan 0.000 0.415 320 T N 0.485 115.212 114.554 0.289 0.000 2.933 320 T HA 0.677 5.027 4.350 -0.000 0.000 0.305 320 T C -1.325 173.500 174.700 0.209 0.000 1.092 320 T CA -0.496 61.827 62.100 0.373 0.000 1.008 320 T CB 1.002 70.126 68.868 0.426 0.000 1.102 320 T HN 0.786 nan 8.240 nan 0.000 0.469 321 K N 2.616 123.168 120.400 0.253 0.000 2.571 321 K HA 0.526 4.846 4.320 -0.000 0.000 0.252 321 K C 0.503 177.204 176.600 0.169 0.000 0.956 321 K CA 0.156 56.471 56.287 0.046 0.000 0.822 321 K CB 1.117 33.403 32.500 -0.356 0.000 1.286 321 K HN 1.077 nan 8.250 nan 0.000 0.439 322 G N 3.243 112.115 108.800 0.120 0.000 2.614 322 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.303 322 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.303 322 G C 0.106 175.111 174.900 0.175 0.000 1.270 322 G CA 0.662 45.840 45.100 0.130 0.000 0.988 322 G HN 0.886 nan 8.290 nan 0.000 0.551 323 N N 1.211 120.011 118.700 0.167 0.000 2.322 323 N HA 0.139 4.878 4.740 -0.000 0.000 0.216 323 N C 0.168 175.809 175.510 0.219 0.000 1.144 323 N CA 0.573 53.725 53.050 0.170 0.000 0.830 323 N CB 0.394 38.953 38.487 0.120 0.000 1.034 323 N HN 0.583 nan 8.380 nan 0.000 0.484 324 Q N 0.051 120.031 119.800 0.299 0.000 2.342 324 Q HA 0.348 4.688 4.340 -0.000 0.000 0.267 324 Q C -1.516 174.780 176.000 0.492 0.000 1.038 324 Q CA -0.320 55.684 55.803 0.336 0.000 0.832 324 Q CB 2.100 31.027 28.738 0.316 0.000 1.323 324 Q HN 0.449 nan 8.270 nan 0.000 0.448 325 W N 2.168 123.579 121.300 0.184 0.000 3.097 325 W HA 0.588 5.248 4.660 -0.000 0.000 0.335 325 W C -1.618 174.971 176.519 0.117 0.000 1.114 325 W CA -0.728 56.766 57.345 0.247 0.000 1.231 325 W CB 1.356 30.968 29.460 0.253 0.000 1.388 325 W HN 0.374 nan 8.180 nan 0.000 0.485 326 V N 5.807 125.807 119.914 0.143 0.000 2.733 326 V HA 0.876 4.996 4.120 -0.000 0.000 0.306 326 V C -0.646 175.489 176.094 0.068 0.000 1.084 326 V CA -0.442 61.892 62.300 0.056 0.000 0.905 326 V CB 1.711 33.397 31.823 -0.228 0.000 1.010 326 V HN 0.729 nan 8.190 nan 0.000 0.424 327 G N 5.795 114.694 108.800 0.165 0.000 2.370 327 G HA2 0.671 4.631 3.960 -0.000 0.000 0.317 327 G HA3 0.671 4.631 3.960 -0.000 0.000 0.317 327 G C -1.215 173.722 174.900 0.061 0.000 1.162 327 G CA -0.169 44.971 45.100 0.068 0.000 0.922 327 G HN 1.253 nan 8.290 nan 0.000 0.454 328 Y N -0.361 119.955 120.300 0.028 0.000 2.974 328 Y HA 0.751 5.301 4.550 -0.000 0.000 0.310 328 Y C -1.110 174.934 175.900 0.239 0.000 1.551 328 Y CA -1.941 56.220 58.100 0.102 0.000 1.084 328 Y CB 0.895 39.425 38.460 0.116 0.000 1.446 328 Y HN 0.309 nan 8.280 nan 0.000 0.472 329 D N 0.583 121.017 120.400 0.057 0.000 2.457 329 D HA 0.359 4.999 4.640 -0.000 0.000 0.240 329 D C -1.426 174.877 176.300 0.006 0.000 1.041 329 D CA -0.101 53.855 54.000 -0.073 0.000 0.861 329 D CB 2.333 43.110 40.800 -0.039 0.000 1.394 329 D HN 0.720 nan 8.370 nan 0.000 0.473 330 D N -0.177 120.186 120.400 -0.063 0.000 2.758 330 D HA 0.127 4.767 4.640 -0.000 0.000 0.279 330 D C 0.864 177.142 176.300 -0.036 0.000 1.111 330 D CA -0.432 53.593 54.000 0.041 0.000 1.109 330 D CB 0.564 41.497 40.800 0.223 0.000 1.428 330 D HN 0.021 nan 8.370 nan 0.000 0.586 331 Q N -0.268 119.538 119.800 0.010 0.000 2.077 331 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 331 Q C 1.814 177.811 176.000 -0.004 0.000 0.989 331 Q CA 2.441 58.245 55.803 0.001 0.000 0.853 331 Q CB -0.145 28.619 28.738 0.044 0.000 0.907 331 Q HN 0.685 nan 8.270 nan 0.000 0.418 332 E N -0.790 119.412 120.200 0.003 0.000 2.051 332 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 332 E C 1.916 178.501 176.600 -0.026 0.000 0.991 332 E CA 1.494 57.889 56.400 -0.008 0.000 0.799 332 E CB -0.052 29.643 29.700 -0.008 0.000 0.748 332 E HN 0.460 nan 8.360 nan 0.000 0.449 333 S N 0.289 115.958 115.700 -0.052 0.000 2.368 333 S HA -0.145 4.325 4.470 -0.000 0.000 0.224 333 S C 2.272 176.837 174.600 -0.058 0.000 1.029 333 S CA 1.310 59.467 58.200 -0.071 0.000 0.988 333 S CB -0.767 62.360 63.200 -0.121 0.000 0.838 333 S HN 0.311 nan 8.310 nan 0.000 0.462 334 V N 0.619 120.502 119.914 -0.053 0.000 2.626 334 V HA -0.019 4.101 4.120 -0.000 0.000 0.252 334 V C 2.461 178.541 176.094 -0.023 0.000 1.067 334 V CA 1.967 64.244 62.300 -0.039 0.000 1.081 334 V CB -1.092 30.707 31.823 -0.040 0.000 0.686 334 V HN 0.535 nan 8.190 nan 0.000 0.468 335 K N 0.658 121.048 120.400 -0.017 0.000 2.057 335 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 335 K C 2.354 178.957 176.600 0.005 0.000 1.050 335 K CA 1.741 58.024 56.287 -0.006 0.000 0.935 335 K CB -0.286 32.215 32.500 0.001 0.000 0.715 335 K HN 0.541 nan 8.250 nan 0.000 0.439 336 S N 1.056 116.760 115.700 0.008 0.000 2.359 336 S HA -0.122 4.348 4.470 -0.000 0.000 0.224 336 S C 1.663 176.288 174.600 0.043 0.000 1.035 336 S CA 1.489 59.710 58.200 0.035 0.000 1.018 336 S CB -0.137 63.082 63.200 0.031 0.000 0.876 336 S HN 0.348 nan 8.310 nan 0.000 0.448 337 K N 0.617 121.013 120.400 -0.007 0.000 2.063 337 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 337 K C 2.010 178.644 176.600 0.056 0.000 1.048 337 K CA 1.278 57.559 56.287 -0.010 0.000 0.928 337 K CB -0.404 32.067 32.500 -0.049 0.000 0.713 337 K HN 0.181 nan 8.250 nan 0.000 0.442 338 V N 1.469 121.389 119.914 0.010 0.000 2.343 338 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 338 V C 2.464 178.534 176.094 -0.040 0.000 1.051 338 V CA 1.557 63.834 62.300 -0.039 0.000 1.036 338 V CB -0.425 31.360 31.823 -0.064 0.000 0.654 338 V HN 0.333 nan 8.190 nan 0.000 0.451 339 Q N -0.788 119.019 119.800 0.012 0.000 2.096 339 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 339 Q C 2.133 178.166 176.000 0.055 0.000 0.982 339 Q CA 2.290 58.109 55.803 0.028 0.000 0.850 339 Q CB -0.474 28.301 28.738 0.063 0.000 0.901 339 Q HN 0.816 nan 8.270 nan 0.000 0.422 340 Y N 1.439 121.731 120.300 -0.013 0.000 2.145 340 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 340 Y C 2.179 178.069 175.900 -0.016 0.000 1.145 340 Y CA 1.895 59.998 58.100 0.005 0.000 1.148 340 Y CB -0.326 38.112 38.460 -0.035 0.000 0.981 340 Y HN 0.172 nan 8.280 nan 0.000 0.507 341 L N -0.095 121.174 121.223 0.075 0.000 2.083 341 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 341 L C 1.981 178.779 176.870 -0.120 0.000 1.083 341 L CA 1.829 56.652 54.840 -0.028 0.000 0.752 341 L CB -1.058 41.019 42.059 0.030 0.000 0.899 341 L HN -0.047 nan 8.230 nan 0.000 0.433 342 K N 0.303 120.610 120.400 -0.155 0.000 2.026 342 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 342 K C 1.874 178.450 176.600 -0.039 0.000 1.048 342 K CA 1.718 57.931 56.287 -0.123 0.000 0.929 342 K CB -0.416 31.991 32.500 -0.154 0.000 0.713 342 K HN 0.425 nan 8.250 nan 0.000 0.439 343 D N 0.316 120.662 120.400 -0.090 0.000 2.178 343 D HA -0.123 4.516 4.640 -0.000 0.000 0.201 343 D C 1.734 177.957 176.300 -0.129 0.000 0.980 343 D CA 0.891 54.836 54.000 -0.092 0.000 0.842 343 D CB 0.040 40.779 40.800 -0.101 0.000 0.948 343 D HN 0.074 nan 8.370 nan 0.000 0.472 344 R N 0.430 120.800 120.500 -0.218 0.000 2.313 344 R HA 0.064 4.404 4.340 -0.000 0.000 0.199 344 R C 0.321 176.582 176.300 -0.065 0.000 0.958 344 R CA 0.061 56.049 56.100 -0.187 0.000 1.047 344 R CB -0.023 30.103 30.300 -0.290 0.000 0.955 344 R HN 0.334 nan 8.270 nan 0.000 0.481 345 Q N 0.567 120.359 119.800 -0.013 0.000 2.468 345 Q HA -0.168 4.172 4.340 -0.000 0.000 0.289 345 Q C -0.660 175.393 176.000 0.089 0.000 1.299 345 Q CA 0.359 56.203 55.803 0.069 0.000 0.838 345 Q CB -1.836 26.927 28.738 0.041 0.000 1.195 345 Q HN 0.308 nan 8.270 nan 0.000 0.456 346 L N -1.098 120.176 121.223 0.084 0.000 2.456 346 L HA 0.345 4.685 4.340 -0.000 0.000 0.257 346 L C 1.693 178.667 176.870 0.173 0.000 1.162 346 L CA 0.372 55.268 54.840 0.094 0.000 0.808 346 L CB 0.225 42.324 42.059 0.068 0.000 1.136 346 L HN 0.286 nan 8.230 nan 0.000 0.466 347 A N 0.961 123.860 122.820 0.133 0.000 2.070 347 A HA 0.277 4.597 4.320 -0.000 0.000 0.220 347 A C 1.005 178.701 177.584 0.188 0.000 1.159 347 A CA 1.515 53.632 52.037 0.133 0.000 0.656 347 A CB -0.510 18.527 19.000 0.062 0.000 0.800 347 A HN 1.032 nan 8.150 nan 0.000 0.453 348 G N -3.017 105.868 108.800 0.142 0.000 2.373 348 G HA2 0.566 4.526 3.960 -0.000 0.000 0.250 348 G HA3 0.566 4.526 3.960 -0.000 0.000 0.250 348 G C -0.839 174.074 174.900 0.020 0.000 1.304 348 G CA -0.166 44.985 45.100 0.086 0.000 0.948 348 G HN 1.347 nan 8.290 nan 0.000 0.474 349 A N -0.507 122.319 122.820 0.011 0.000 2.413 349 A HA 0.868 5.188 4.320 -0.000 0.000 0.307 349 A C -0.348 177.274 177.584 0.063 0.000 1.087 349 A CA -0.431 51.632 52.037 0.043 0.000 0.750 349 A CB 1.948 20.967 19.000 0.031 0.000 1.296 349 A HN 1.530 nan 8.150 nan 0.000 0.423 350 M N 2.312 121.998 119.600 0.142 0.000 2.383 350 M HA 0.614 5.094 4.480 -0.000 0.000 0.325 350 M C -2.028 174.439 176.300 0.279 0.000 1.092 350 M CA -0.591 54.841 55.300 0.221 0.000 0.961 350 M CB 1.480 34.285 32.600 0.341 0.000 1.672 350 M HN 0.394 nan 8.290 nan 0.000 0.438 351 V N 5.534 125.617 119.914 0.281 0.000 2.409 351 V HA 0.435 4.555 4.120 -0.000 0.000 0.291 351 V C -1.207 175.100 176.094 0.354 0.000 1.020 351 V CA -0.574 61.883 62.300 0.261 0.000 0.848 351 V CB 1.872 33.772 31.823 0.128 0.000 0.990 351 V HN 0.849 nan 8.190 nan 0.000 0.430 352 W N 6.474 127.892 121.300 0.198 0.000 2.336 352 W HA 0.795 5.455 4.660 -0.000 0.000 0.315 352 W C -0.614 175.976 176.519 0.118 0.000 1.016 352 W CA -0.578 56.838 57.345 0.118 0.000 1.318 352 W CB 1.622 31.070 29.460 -0.021 0.000 1.247 352 W HN 0.662 nan 8.180 nan 0.000 0.414 353 A N 5.059 127.735 122.820 -0.241 0.000 2.556 353 A HA 0.462 4.782 4.320 -0.000 0.000 0.294 353 A C 0.215 177.660 177.584 -0.232 0.000 1.091 353 A CA -0.649 51.039 52.037 -0.581 0.000 0.704 353 A CB 1.464 19.655 19.000 -1.348 0.000 1.300 353 A HN 0.605 nan 8.150 nan 0.000 0.406 354 L N 0.016 121.135 121.223 -0.173 0.000 2.043 354 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 354 L C 1.937 178.862 176.870 0.090 0.000 1.075 354 L CA 2.451 57.320 54.840 0.049 0.000 0.752 354 L CB -0.439 41.642 42.059 0.036 0.000 0.891 354 L HN 0.995 nan 8.230 nan 0.000 0.432 355 D N -0.949 119.329 120.400 -0.202 0.000 2.371 355 D HA -0.124 4.516 4.640 -0.000 0.000 0.221 355 D C 1.859 178.108 176.300 -0.085 0.000 0.986 355 D CA 0.625 54.401 54.000 -0.374 0.000 0.899 355 D CB -0.132 40.289 40.800 -0.631 0.000 0.902 355 D HN 0.327 nan 8.370 nan 0.000 0.530 356 L N -0.517 120.696 121.223 -0.015 0.000 2.513 356 L HA 0.160 4.500 4.340 -0.000 0.000 0.222 356 L C 1.089 178.091 176.870 0.219 0.000 1.096 356 L CA -0.162 54.719 54.840 0.068 0.000 0.857 356 L CB -0.079 41.990 42.059 0.017 0.000 1.026 356 L HN 0.054 nan 8.230 nan 0.000 0.469 357 D N 0.426 121.002 120.400 0.292 0.000 2.414 357 D HA -0.057 4.583 4.640 -0.000 0.000 0.251 357 D C -0.290 176.285 176.300 0.458 0.000 1.252 357 D CA -0.124 54.087 54.000 0.351 0.000 0.999 357 D CB 0.858 41.874 40.800 0.359 0.000 1.093 357 D HN -0.147 nan 8.370 nan 0.000 0.515 358 D N 0.363 120.971 120.400 0.347 0.000 2.517 358 D HA 0.028 4.668 4.640 -0.000 0.000 0.220 358 D C 0.924 177.093 176.300 -0.218 0.000 1.158 358 D CA -0.370 53.714 54.000 0.140 0.000 0.992 358 D CB -0.890 40.036 40.800 0.210 0.000 1.058 358 D HN 0.305 nan 8.370 nan 0.000 0.516 359 F N 1.193 120.838 119.950 -0.508 0.000 2.293 359 F HA -0.044 4.483 4.527 -0.000 0.000 0.300 359 F C 1.871 177.264 175.800 -0.678 0.000 1.086 359 F CA 0.510 57.810 58.000 -1.167 0.000 1.375 359 F CB -0.683 37.892 39.000 -0.708 0.000 1.045 359 F HN 0.204 nan 8.300 nan 0.000 0.516 360 Q N 0.869 120.127 119.800 -0.904 0.000 2.083 360 Q HA 0.190 4.530 4.340 -0.000 0.000 0.198 360 Q C 1.968 177.792 176.000 -0.295 0.000 0.969 360 Q CA 1.885 57.345 55.803 -0.570 0.000 0.838 360 Q CB -0.451 27.933 28.738 -0.590 0.000 0.900 360 Q HN 0.655 nan 8.270 nan 0.000 0.436 361 G N -0.912 107.758 108.800 -0.217 0.000 2.157 361 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 361 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 361 G C 0.798 175.655 174.900 -0.072 0.000 0.979 361 G CA 0.811 45.858 45.100 -0.088 0.000 0.650 361 G HN 0.538 nan 8.290 nan 0.000 0.529 362 S N -1.181 114.443 115.700 -0.127 0.000 2.540 362 S HA 0.478 4.948 4.470 -0.000 0.000 0.218 362 S C 1.537 175.949 174.600 -0.313 0.000 0.977 362 S CA 0.713 58.766 58.200 -0.244 0.000 0.918 362 S CB -0.129 62.822 63.200 -0.415 0.000 0.806 362 S HN 0.255 nan 8.310 nan 0.000 0.496 363 F N 1.354 121.218 119.950 -0.144 0.000 2.582 363 F HA 0.390 4.916 4.527 -0.000 0.000 0.290 363 F C 1.797 177.566 175.800 -0.052 0.000 1.115 363 F CA -0.556 57.393 58.000 -0.084 0.000 1.445 363 F CB -0.308 38.658 39.000 -0.055 0.000 1.126 363 F HN 0.299 nan 8.300 nan 0.000 0.574 364 c N -0.676 118.010 118.600 0.142 0.000 2.030 364 c HA 0.599 5.169 4.570 -0.000 0.000 0.143 364 c C 2.524 176.645 174.090 0.052 0.000 2.898 364 c CA -0.057 56.320 56.329 0.080 0.000 1.932 364 c CB -0.580 42.000 42.510 0.116 0.000 2.700 364 c HN 0.474 nan 8.230 nan 0.000 0.308 365 G N -0.171 108.669 108.800 0.066 0.000 2.798 365 G HA2 0.027 3.987 3.960 -0.000 0.000 0.202 365 G HA3 0.027 3.987 3.960 -0.000 0.000 0.202 365 G C 0.699 175.618 174.900 0.031 0.000 1.432 365 G CA 1.053 46.181 45.100 0.047 0.000 0.861 365 G HN 0.716 nan 8.290 nan 0.000 0.598 366 Q N -0.465 119.358 119.800 0.039 0.000 2.779 366 Q HA 0.095 4.434 4.340 -0.000 0.000 0.187 366 Q C 0.668 176.675 176.000 0.012 0.000 1.187 366 Q CA 0.770 56.587 55.803 0.024 0.000 1.274 366 Q CB 0.017 28.775 28.738 0.034 0.000 1.504 366 Q HN 0.361 nan 8.270 nan 0.000 0.683 367 D N -0.224 120.180 120.400 0.007 0.000 2.440 367 D HA 0.108 4.748 4.640 -0.000 0.000 0.216 367 D C -0.581 175.722 176.300 0.005 0.000 1.150 367 D CA -0.175 53.819 54.000 -0.010 0.000 0.832 367 D CB 0.033 40.823 40.800 -0.017 0.000 0.992 367 D HN 0.254 nan 8.370 nan 0.000 0.502 368 L N 1.872 123.113 121.223 0.031 0.000 2.499 368 L HA 0.092 4.432 4.340 -0.000 0.000 0.273 368 L C 0.271 177.173 176.870 0.054 0.000 1.195 368 L CA 0.113 54.987 54.840 0.057 0.000 0.882 368 L CB 0.336 42.441 42.059 0.077 0.000 1.133 368 L HN -0.196 nan 8.230 nan 0.000 0.483 369 R N 4.341 124.884 120.500 0.072 0.000 2.500 369 R HA 0.320 4.660 4.340 -0.000 0.000 0.275 369 R C -0.412 175.991 176.300 0.173 0.000 1.051 369 R CA -0.634 55.476 56.100 0.017 0.000 1.088 369 R CB 0.321 30.662 30.300 0.069 0.000 1.063 369 R HN 0.668 nan 8.270 nan 0.000 0.511 370 F N 0.542 120.573 119.950 0.134 0.000 2.866 370 F HA -0.174 4.353 4.527 -0.000 0.000 0.254 370 F C -1.304 174.554 175.800 0.097 0.000 1.009 370 F CA -0.066 58.013 58.000 0.131 0.000 0.907 370 F CB -1.204 37.862 39.000 0.110 0.000 0.859 370 F HN 0.565 nan 8.300 nan 0.000 0.842 371 P HA -0.212 nan 4.420 nan 0.000 0.215 371 P C 1.858 179.204 177.300 0.076 0.000 1.157 371 P CA 1.714 64.907 63.100 0.156 0.000 0.868 371 P CB 0.226 32.050 31.700 0.207 0.000 0.788 372 L N -0.845 120.373 121.223 -0.009 0.000 2.056 372 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 372 L C 2.599 179.474 176.870 0.008 0.000 1.078 372 L CA 1.996 56.774 54.840 -0.103 0.000 0.749 372 L CB -1.619 40.282 42.059 -0.262 0.000 0.901 372 L HN 0.033 nan 8.230 nan 0.000 0.433 373 T N -0.986 113.624 114.554 0.093 0.000 2.904 373 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 373 T C 1.760 176.496 174.700 0.061 0.000 1.059 373 T CA 0.834 62.980 62.100 0.076 0.000 1.137 373 T CB -0.182 68.734 68.868 0.081 0.000 0.879 373 T HN 0.265 nan 8.240 nan 0.000 0.467 374 N N 1.369 120.127 118.700 0.097 0.000 2.142 374 N HA -0.008 4.732 4.740 -0.000 0.000 0.186 374 N C 2.231 177.774 175.510 0.054 0.000 1.023 374 N CA 1.294 54.393 53.050 0.081 0.000 0.852 374 N CB -0.373 38.184 38.487 0.116 0.000 0.998 374 N HN 0.403 nan 8.380 nan 0.000 0.424 375 A N 1.554 124.402 122.820 0.046 0.000 1.908 375 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 375 A C 2.317 179.910 177.584 0.015 0.000 1.181 375 A CA 0.990 53.043 52.037 0.026 0.000 0.627 375 A CB -0.645 18.361 19.000 0.010 0.000 0.818 375 A HN 0.228 nan 8.150 nan 0.000 0.445 376 I N -0.655 119.923 120.570 0.013 0.000 2.179 376 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 376 I C 2.590 178.711 176.117 0.007 0.000 1.088 376 I CA 1.845 63.148 61.300 0.004 0.000 1.357 376 I CB -0.348 37.658 38.000 0.010 0.000 1.051 376 I HN 0.429 nan 8.210 nan 0.000 0.409 377 K N 1.173 121.586 120.400 0.021 0.000 2.002 377 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 377 K C 1.711 178.332 176.600 0.034 0.000 1.048 377 K CA 2.161 58.467 56.287 0.031 0.000 0.930 377 K CB -0.127 32.395 32.500 0.035 0.000 0.714 377 K HN 0.192 nan 8.250 nan 0.000 0.438 378 D N 0.533 120.953 120.400 0.032 0.000 2.133 378 D HA -0.184 4.456 4.640 -0.000 0.000 0.195 378 D C 1.813 178.129 176.300 0.026 0.000 0.997 378 D CA 1.563 55.582 54.000 0.031 0.000 0.840 378 D CB -0.345 40.473 40.800 0.030 0.000 0.947 378 D HN 0.413 nan 8.370 nan 0.000 0.452 379 A N 0.515 123.343 122.820 0.013 0.000 1.933 379 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 379 A C 2.380 179.954 177.584 -0.016 0.000 1.175 379 A CA 0.786 52.822 52.037 -0.001 0.000 0.628 379 A CB -0.730 18.262 19.000 -0.013 0.000 0.814 379 A HN 0.212 nan 8.150 nan 0.000 0.444 380 L N -1.157 120.052 121.223 -0.023 0.000 2.201 380 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 380 L C 2.897 179.847 176.870 0.134 0.000 1.105 380 L CA 0.902 55.715 54.840 -0.043 0.000 0.775 380 L CB -0.264 41.785 42.059 -0.017 0.000 0.913 380 L HN 0.466 nan 8.230 nan 0.000 0.440 381 A N -0.138 122.745 122.820 0.105 0.000 1.943 381 A HA 0.278 4.598 4.320 -0.000 0.000 0.213 381 A C 1.441 179.078 177.584 0.087 0.000 1.181 381 A CA 0.488 52.592 52.037 0.112 0.000 0.653 381 A CB -0.415 18.629 19.000 0.073 0.000 0.833 381 A HN 0.268 nan 8.150 nan 0.000 0.451 382 A N 0.918 123.774 122.820 0.060 0.000 2.642 382 A HA 0.346 4.666 4.320 -0.000 0.000 0.228 382 A C 1.234 178.848 177.584 0.051 0.000 1.045 382 A CA 1.029 53.093 52.037 0.045 0.000 0.760 382 A CB -1.272 17.746 19.000 0.031 0.000 0.958 382 A HN 2.245 nan 8.150 nan 0.000 0.505 383 T N 0.000 114.576 114.554 0.038 0.000 3.816 383 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 383 T CA 0.000 62.120 62.100 0.034 0.000 1.349 383 T CB 0.000 68.885 68.868 0.029 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658