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 1toi_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGLYYDET GKIPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKLYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGSGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSXNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRDN YSSPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.254 176.300 -0.077 0.000 1.140 5 M CA 0.000 55.126 55.300 -0.290 0.000 0.988 5 M CB 0.000 32.257 32.600 -0.572 0.000 1.302 6 F N 1.592 121.541 119.950 -0.001 0.000 2.695 6 F HA 0.321 4.848 4.527 -0.000 0.000 0.303 6 F C 1.775 177.574 175.800 -0.002 0.000 1.091 6 F CA 0.053 58.052 58.000 -0.002 0.000 1.300 6 F CB -0.550 38.449 39.000 -0.002 0.000 1.071 6 F HN 0.103 nan 8.300 nan 0.000 0.578 7 E N 0.400 120.677 120.200 0.127 0.000 2.118 7 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 7 E C 1.494 178.134 176.600 0.066 0.000 0.992 7 E CA 1.426 57.872 56.400 0.076 0.000 0.804 7 E CB -0.283 29.435 29.700 0.031 0.000 0.741 7 E HN 0.177 nan 8.360 nan 0.000 0.458 8 N N -0.344 118.396 118.700 0.066 0.000 2.203 8 N HA 0.117 4.857 4.740 -0.000 0.000 0.207 8 N C -0.602 174.935 175.510 0.046 0.000 1.130 8 N CA -0.114 52.964 53.050 0.046 0.000 0.861 8 N CB 0.349 38.856 38.487 0.033 0.000 1.005 8 N HN 0.006 nan 8.380 nan 0.000 0.507 9 I N 1.249 121.856 120.570 0.063 0.000 2.683 9 I HA -0.047 4.123 4.170 -0.000 0.000 0.286 9 I C 0.265 176.393 176.117 0.019 0.000 1.175 9 I CA 0.338 61.663 61.300 0.041 0.000 1.429 9 I CB 0.566 38.589 38.000 0.038 0.000 1.371 9 I HN 0.042 nan 8.210 nan 0.000 0.569 10 T N 6.131 120.690 114.554 0.008 0.000 2.889 10 T HA 0.382 4.731 4.350 -0.000 0.000 0.291 10 T C 0.418 175.112 174.700 -0.009 0.000 0.995 10 T CA -0.595 61.506 62.100 0.001 0.000 1.092 10 T CB 1.260 70.128 68.868 -0.000 0.000 0.954 10 T HN 0.720 nan 8.240 nan 0.000 0.506 11 A N 2.261 125.075 122.820 -0.010 0.000 2.531 11 A HA 0.540 4.860 4.320 -0.000 0.000 0.236 11 A C 0.763 178.335 177.584 -0.020 0.000 1.062 11 A CA -0.466 51.561 52.037 -0.017 0.000 0.760 11 A CB -0.240 18.752 19.000 -0.013 0.000 0.995 11 A HN 1.060 nan 8.150 nan 0.000 0.501 12 A N 3.588 126.392 122.820 -0.027 0.000 2.388 12 A HA 0.593 4.913 4.320 -0.000 0.000 0.257 12 A C -1.780 175.788 177.584 -0.027 0.000 1.095 12 A CA -1.142 50.877 52.037 -0.030 0.000 0.791 12 A CB -0.676 18.301 19.000 -0.038 0.000 1.029 12 A HN 0.758 nan 8.150 nan 0.000 0.489 13 P HA 0.392 nan 4.420 nan 0.000 0.271 13 P C -0.111 177.170 177.300 -0.031 0.000 1.218 13 P CA -0.085 62.999 63.100 -0.026 0.000 0.780 13 P CB 0.564 32.247 31.700 -0.029 0.000 0.901 14 A N 1.871 124.677 122.820 -0.024 0.000 2.511 14 A HA 0.058 4.378 4.320 -0.000 0.000 0.242 14 A C 0.488 178.050 177.584 -0.036 0.000 1.069 14 A CA -0.195 51.828 52.037 -0.023 0.000 0.763 14 A CB -0.257 18.738 19.000 -0.008 0.000 1.001 14 A HN 0.647 nan 8.150 nan 0.000 0.498 15 D N 3.410 123.782 120.400 -0.047 0.000 2.390 15 D HA 0.110 4.750 4.640 -0.000 0.000 0.249 15 D C -1.186 175.079 176.300 -0.058 0.000 1.144 15 D CA -1.268 52.689 54.000 -0.072 0.000 0.880 15 D CB 1.083 41.827 40.800 -0.093 0.000 1.182 15 D HN 0.286 nan 8.370 nan 0.000 0.451 16 P HA -0.116 nan 4.420 nan 0.000 0.218 16 P C 1.469 178.749 177.300 -0.034 0.000 1.148 16 P CA 1.020 64.092 63.100 -0.046 0.000 0.822 16 P CB 0.535 32.200 31.700 -0.059 0.000 0.784 17 I N -1.601 118.930 120.570 -0.065 0.000 2.899 17 I HA -0.024 4.146 4.170 -0.000 0.000 0.257 17 I C 2.487 178.597 176.117 -0.012 0.000 1.115 17 I CA 0.355 61.634 61.300 -0.035 0.000 1.451 17 I CB -0.387 37.573 38.000 -0.066 0.000 1.251 17 I HN -0.236 nan 8.210 nan 0.000 0.456 18 L N 0.777 121.976 121.223 -0.041 0.000 2.201 18 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 18 L C 2.479 179.347 176.870 -0.003 0.000 1.105 18 L CA 1.238 56.063 54.840 -0.025 0.000 0.775 18 L CB -0.871 41.158 42.059 -0.050 0.000 0.913 18 L HN 0.324 nan 8.230 nan 0.000 0.440 19 G N -0.077 108.724 108.800 0.001 0.000 2.509 19 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 19 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 19 G C 1.615 176.555 174.900 0.067 0.000 1.124 19 G CA 0.128 45.242 45.100 0.024 0.000 0.776 19 G HN 0.228 nan 8.290 nan 0.000 0.547 20 L N 0.476 121.749 121.223 0.083 0.000 2.083 20 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 20 L C 3.370 180.319 176.870 0.132 0.000 1.083 20 L CA 0.955 55.888 54.840 0.156 0.000 0.752 20 L CB -0.405 41.748 42.059 0.156 0.000 0.899 20 L HN 0.301 nan 8.230 nan 0.000 0.433 21 A N -0.028 122.827 122.820 0.059 0.000 1.908 21 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 21 A C 1.936 179.568 177.584 0.080 0.000 1.181 21 A CA 2.173 54.231 52.037 0.036 0.000 0.627 21 A CB -0.542 18.459 19.000 0.001 0.000 0.818 21 A HN 0.336 nan 8.150 nan 0.000 0.445 22 D N -0.073 120.369 120.400 0.070 0.000 2.084 22 D HA -0.102 4.538 4.640 -0.000 0.000 0.194 22 D C 2.001 178.355 176.300 0.091 0.000 0.990 22 D CA 1.059 55.098 54.000 0.065 0.000 0.826 22 D CB -0.363 40.465 40.800 0.046 0.000 0.971 22 D HN 0.429 nan 8.370 nan 0.000 0.453 23 L N -0.363 120.941 121.223 0.136 0.000 2.012 23 L HA -0.193 4.146 4.340 -0.000 0.000 0.210 23 L C 2.393 179.375 176.870 0.186 0.000 1.073 23 L CA 0.968 55.926 54.840 0.198 0.000 0.748 23 L CB -0.456 41.785 42.059 0.304 0.000 0.891 23 L HN 0.019 nan 8.230 nan 0.000 0.431 24 F N 0.581 120.479 119.950 -0.086 0.000 2.171 24 F HA -0.191 4.336 4.527 -0.000 0.000 0.300 24 F C 2.747 178.429 175.800 -0.197 0.000 1.090 24 F CA 1.439 59.181 58.000 -0.431 0.000 1.293 24 F CB -0.115 38.545 39.000 -0.566 0.000 1.013 24 F HN -0.126 nan 8.300 nan 0.000 0.486 25 R N -0.335 120.208 120.500 0.072 0.000 2.115 25 R HA -0.058 4.282 4.340 -0.000 0.000 0.230 25 R C 2.195 178.472 176.300 -0.037 0.000 1.111 25 R CA 1.016 57.132 56.100 0.025 0.000 0.976 25 R CB -0.560 29.774 30.300 0.056 0.000 0.870 25 R HN 0.341 nan 8.270 nan 0.000 0.445 26 A N 0.611 123.419 122.820 -0.020 0.000 2.169 26 A HA -0.056 4.264 4.320 -0.000 0.000 0.212 26 A C 0.468 178.027 177.584 -0.042 0.000 1.153 26 A CA 0.181 52.208 52.037 -0.017 0.000 0.756 26 A CB 0.093 19.101 19.000 0.014 0.000 0.813 26 A HN 0.052 nan 8.150 nan 0.000 0.471 27 D N 0.705 121.049 120.400 -0.093 0.000 2.374 27 D HA 0.202 4.842 4.640 -0.000 0.000 0.240 27 D C 0.438 176.641 176.300 -0.161 0.000 1.229 27 D CA 0.019 53.953 54.000 -0.109 0.000 0.895 27 D CB 0.566 41.295 40.800 -0.117 0.000 1.046 27 D HN 0.428 nan 8.370 nan 0.000 0.498 28 E N 2.117 122.260 120.200 -0.095 0.000 2.502 28 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 28 E C 0.280 176.831 176.600 -0.082 0.000 1.062 28 E CA 0.075 56.424 56.400 -0.085 0.000 0.867 28 E CB 0.398 30.067 29.700 -0.052 0.000 0.888 28 E HN 0.279 nan 8.360 nan 0.000 0.510 29 R N 2.402 122.851 120.500 -0.085 0.000 2.537 29 R HA 0.094 4.434 4.340 -0.000 0.000 0.280 29 R C -2.190 174.063 176.300 -0.078 0.000 1.058 29 R CA -1.243 54.818 56.100 -0.064 0.000 1.057 29 R CB -0.081 30.193 30.300 -0.043 0.000 0.973 29 R HN -0.009 nan 8.270 nan 0.000 0.438 30 P HA 0.117 nan 4.420 nan 0.000 0.279 30 P C 0.218 177.511 177.300 -0.013 0.000 1.252 30 P CA -0.252 62.828 63.100 -0.033 0.000 0.811 30 P CB 0.986 32.675 31.700 -0.017 0.000 1.035 31 G N 0.431 109.232 108.800 0.002 0.000 2.168 31 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.257 31 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.257 31 G C 0.117 175.046 174.900 0.049 0.000 0.997 31 G CA 0.437 45.553 45.100 0.027 0.000 0.708 31 G HN 0.810 nan 8.290 nan 0.000 0.520 32 K N -0.359 120.056 120.400 0.025 0.000 2.258 32 K HA 0.633 4.953 4.320 -0.000 0.000 0.264 32 K C 0.006 176.727 176.600 0.202 0.000 1.007 32 K CA -0.312 56.025 56.287 0.084 0.000 0.941 32 K CB 1.244 33.685 32.500 -0.098 0.000 0.966 32 K HN 0.224 nan 8.250 nan 0.000 0.480 33 I N 1.701 122.447 120.570 0.294 0.000 2.439 33 I HA 0.107 4.277 4.170 -0.000 0.000 0.285 33 I C -0.679 175.575 176.117 0.228 0.000 1.021 33 I CA -0.935 60.480 61.300 0.191 0.000 1.091 33 I CB 1.675 39.723 38.000 0.080 0.000 1.242 33 I HN 0.630 nan 8.210 nan 0.000 0.439 34 N N 7.740 126.423 118.700 -0.028 0.000 2.462 34 N HA 0.350 5.090 4.740 -0.000 0.000 0.242 34 N C -0.394 174.965 175.510 -0.252 0.000 1.010 34 N CA -0.120 52.761 53.050 -0.282 0.000 0.939 34 N CB 0.854 38.837 38.487 -0.839 0.000 1.127 34 N HN 0.603 nan 8.380 nan 0.000 0.509 35 L N 2.309 123.493 121.223 -0.064 0.000 3.110 35 L HA 0.404 4.744 4.340 -0.000 0.000 0.266 35 L C 1.468 178.373 176.870 0.059 0.000 1.257 35 L CA -0.446 54.361 54.840 -0.056 0.000 1.038 35 L CB 0.708 42.732 42.059 -0.058 0.000 1.395 35 L HN 0.475 nan 8.230 nan 0.000 0.566 36 G N 0.591 109.428 108.800 0.062 0.000 2.568 36 G HA2 0.259 4.219 3.960 -0.000 0.000 0.212 36 G HA3 0.259 4.219 3.960 -0.000 0.000 0.212 36 G C 0.578 175.571 174.900 0.154 0.000 1.821 36 G CA -0.443 44.723 45.100 0.111 0.000 0.904 36 G HN 0.065 nan 8.290 nan 0.000 0.566 37 I N 2.358 122.993 120.570 0.107 0.000 2.775 37 I HA 0.130 4.300 4.170 -0.000 0.000 0.290 37 I C 1.275 177.525 176.117 0.222 0.000 1.203 37 I CA 0.195 61.582 61.300 0.145 0.000 1.433 37 I CB 0.578 38.606 38.000 0.047 0.000 1.354 37 I HN 0.246 nan 8.210 nan 0.000 0.579 38 G N 7.678 116.699 108.800 0.368 0.000 2.821 38 G HA2 0.460 4.420 3.960 -0.000 0.000 0.289 38 G HA3 0.460 4.420 3.960 -0.000 0.000 0.289 38 G C -0.414 174.551 174.900 0.108 0.000 0.771 38 G CA -0.320 44.981 45.100 0.336 0.000 1.908 38 G HN 0.353 nan 8.290 nan 0.000 0.539 39 L N 0.727 121.942 121.223 -0.013 0.000 2.333 39 L HA 0.413 4.753 4.340 -0.000 0.000 0.269 39 L C -0.300 176.558 176.870 -0.020 0.000 1.010 39 L CA -1.416 53.283 54.840 -0.236 0.000 0.818 39 L CB 2.049 43.714 42.059 -0.657 0.000 1.306 39 L HN 0.434 nan 8.230 nan 0.000 0.430 40 Y N 1.585 121.892 120.300 0.012 0.000 2.393 40 Y HA 0.368 4.918 4.550 -0.000 0.000 0.338 40 Y C -1.047 174.835 175.900 -0.029 0.000 1.029 40 Y CA -0.187 57.963 58.100 0.082 0.000 1.239 40 Y CB 0.224 38.798 38.460 0.190 0.000 1.170 40 Y HN 0.319 nan 8.280 nan 0.000 0.515 41 Y N 4.439 124.317 120.300 -0.703 0.000 2.387 41 Y HA 0.251 4.801 4.550 -0.000 0.000 0.330 41 Y C 0.226 175.600 175.900 -0.877 0.000 1.133 41 Y CA -1.114 56.646 58.100 -0.566 0.000 1.152 41 Y CB 0.840 39.096 38.460 -0.341 0.000 1.215 41 Y HN 0.688 nan 8.280 nan 0.000 0.466 42 D N -0.470 119.783 120.400 -0.245 0.000 2.506 42 D HA 0.075 4.715 4.640 -0.000 0.000 0.272 42 D C 0.776 177.050 176.300 -0.043 0.000 1.214 42 D CA -0.518 53.423 54.000 -0.098 0.000 1.067 42 D CB 0.403 41.257 40.800 0.089 0.000 1.117 42 D HN 0.661 nan 8.370 nan 0.000 0.578 43 E N -1.564 118.640 120.200 0.007 0.000 2.267 43 E HA -0.181 4.168 4.350 -0.000 0.000 0.197 43 E C 1.272 177.875 176.600 0.005 0.000 0.998 43 E CA 1.472 57.875 56.400 0.004 0.000 0.830 43 E CB -0.085 29.628 29.700 0.022 0.000 0.751 43 E HN 0.641 nan 8.360 nan 0.000 0.491 44 T N -3.572 110.994 114.554 0.020 0.000 3.148 44 T HA 0.169 4.518 4.350 -0.000 0.000 0.253 44 T C 1.328 176.048 174.700 0.033 0.000 1.134 44 T CA 0.515 62.630 62.100 0.025 0.000 1.051 44 T CB 0.372 69.260 68.868 0.033 0.000 0.959 44 T HN 0.239 nan 8.240 nan 0.000 0.525 45 G N 1.127 109.950 108.800 0.038 0.000 2.147 45 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 45 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 45 G C -0.122 174.910 174.900 0.220 0.000 1.005 45 G CA 0.309 45.455 45.100 0.077 0.000 0.713 45 G HN 0.683 nan 8.290 nan 0.000 0.515 46 K N -0.820 119.667 120.400 0.144 0.000 2.238 46 K HA 0.723 5.043 4.320 -0.000 0.000 0.239 46 K C 0.020 176.580 176.600 -0.066 0.000 0.987 46 K CA -1.099 55.232 56.287 0.072 0.000 0.857 46 K CB 1.689 34.212 32.500 0.039 0.000 1.154 46 K HN 0.101 nan 8.250 nan 0.000 0.439 47 I N 3.921 124.375 120.570 -0.193 0.000 2.361 47 I HA 0.188 4.357 4.170 -0.000 0.000 0.282 47 I C -1.832 174.271 176.117 -0.023 0.000 1.075 47 I CA -1.780 59.376 61.300 -0.240 0.000 1.205 47 I CB 0.626 38.352 38.000 -0.456 0.000 1.406 47 I HN 0.335 nan 8.210 nan 0.000 0.481 48 P HA 0.229 nan 4.420 nan 0.000 0.276 48 P C -0.406 176.972 177.300 0.129 0.000 1.252 48 P CA -0.309 62.850 63.100 0.098 0.000 0.802 48 P CB 1.380 33.153 31.700 0.121 0.000 1.035 49 V N 2.179 122.157 119.914 0.107 0.000 2.498 49 V HA 0.108 4.228 4.120 -0.000 0.000 0.279 49 V C 1.020 177.180 176.094 0.109 0.000 1.048 49 V CA -0.617 61.752 62.300 0.115 0.000 0.967 49 V CB 0.485 32.365 31.823 0.095 0.000 0.988 49 V HN 0.382 nan 8.190 nan 0.000 0.473 50 L N 4.004 125.298 121.223 0.118 0.000 2.485 50 L HA 0.048 4.388 4.340 -0.000 0.000 0.275 50 L C 1.823 178.747 176.870 0.090 0.000 1.207 50 L CA 0.189 55.090 54.840 0.102 0.000 0.855 50 L CB 0.362 42.494 42.059 0.121 0.000 1.114 50 L HN 0.767 nan 8.230 nan 0.000 0.485 51 T N 0.019 114.615 114.554 0.070 0.000 2.746 51 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 51 T C 1.942 176.683 174.700 0.068 0.000 1.039 51 T CA 1.794 63.930 62.100 0.060 0.000 1.142 51 T CB -0.085 68.808 68.868 0.042 0.000 0.866 51 T HN 0.886 nan 8.240 nan 0.000 0.444 52 S N 1.303 117.054 115.700 0.085 0.000 2.383 52 S HA -0.107 4.363 4.470 -0.000 0.000 0.229 52 S C 2.159 176.812 174.600 0.089 0.000 1.030 52 S CA 1.073 59.331 58.200 0.098 0.000 1.002 52 S CB -0.996 62.304 63.200 0.167 0.000 0.829 52 S HN 0.302 nan 8.310 nan 0.000 0.467 53 V N 2.410 122.390 119.914 0.110 0.000 2.295 53 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 53 V C 2.855 178.990 176.094 0.068 0.000 1.049 53 V CA 1.843 64.197 62.300 0.089 0.000 1.024 53 V CB -0.614 31.279 31.823 0.117 0.000 0.648 53 V HN 0.414 nan 8.190 nan 0.000 0.447 54 K N 0.287 120.732 120.400 0.075 0.000 2.103 54 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 54 K C 2.146 178.785 176.600 0.065 0.000 1.048 54 K CA 1.491 57.820 56.287 0.070 0.000 0.930 54 K CB -0.361 32.177 32.500 0.064 0.000 0.716 54 K HN 0.461 nan 8.250 nan 0.000 0.444 55 K N 0.294 120.730 120.400 0.059 0.000 2.057 55 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 55 K C 2.210 178.851 176.600 0.069 0.000 1.049 55 K CA 1.248 57.570 56.287 0.058 0.000 0.931 55 K CB -0.152 32.373 32.500 0.043 0.000 0.714 55 K HN 0.108 nan 8.250 nan 0.000 0.440 56 A N 1.608 124.454 122.820 0.044 0.000 1.902 56 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 56 A C 1.888 179.514 177.584 0.071 0.000 1.181 56 A CA 1.488 53.544 52.037 0.032 0.000 0.623 56 A CB -0.369 18.607 19.000 -0.039 0.000 0.818 56 A HN 0.289 nan 8.150 nan 0.000 0.443 57 E N -0.814 119.418 120.200 0.053 0.000 2.110 57 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 57 E C 2.239 178.900 176.600 0.102 0.000 0.988 57 E CA 1.272 57.727 56.400 0.090 0.000 0.804 57 E CB -0.147 29.637 29.700 0.140 0.000 0.745 57 E HN 0.817 nan 8.360 nan 0.000 0.458 58 Q N 0.067 119.922 119.800 0.093 0.000 2.084 58 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 58 Q C 2.025 178.073 176.000 0.080 0.000 0.978 58 Q CA 1.332 57.180 55.803 0.075 0.000 0.844 58 Q CB -0.171 28.608 28.738 0.070 0.000 0.898 58 Q HN 0.350 nan 8.270 nan 0.000 0.426 59 Y N 0.780 121.079 120.300 -0.002 0.000 2.181 59 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 59 Y C 1.735 177.628 175.900 -0.012 0.000 1.146 59 Y CA 1.667 59.761 58.100 -0.010 0.000 1.164 59 Y CB -0.148 38.300 38.460 -0.020 0.000 0.982 59 Y HN 0.107 nan 8.280 nan 0.000 0.515 60 L N -0.707 120.544 121.223 0.047 0.000 2.046 60 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 60 L C 2.425 179.251 176.870 -0.074 0.000 1.077 60 L CA 1.170 55.992 54.840 -0.030 0.000 0.747 60 L CB -0.754 41.328 42.059 0.038 0.000 0.896 60 L HN 0.336 nan 8.230 nan 0.000 0.432 61 L N 0.098 121.306 121.223 -0.026 0.000 2.046 61 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 61 L C 2.295 179.117 176.870 -0.080 0.000 1.077 61 L CA 1.834 56.656 54.840 -0.031 0.000 0.747 61 L CB -0.397 41.661 42.059 -0.002 0.000 0.896 61 L HN 0.204 nan 8.230 nan 0.000 0.432 62 E N -1.051 119.074 120.200 -0.125 0.000 2.216 62 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 62 E C 1.363 177.837 176.600 -0.210 0.000 0.988 62 E CA 0.902 57.214 56.400 -0.147 0.000 0.834 62 E CB 0.055 29.672 29.700 -0.137 0.000 0.772 62 E HN 0.604 nan 8.360 nan 0.000 0.479 63 N N -0.076 118.434 118.700 -0.318 0.000 2.317 63 N HA 0.043 4.783 4.740 -0.000 0.000 0.199 63 N C 0.248 175.636 175.510 -0.204 0.000 1.145 63 N CA 0.062 52.905 53.050 -0.344 0.000 0.882 63 N CB 0.793 38.854 38.487 -0.710 0.000 1.113 63 N HN 0.107 nan 8.380 nan 0.000 0.486 67 T N 0.487 115.018 114.554 -0.039 0.000 2.840 67 T HA 0.565 4.915 4.350 -0.000 0.000 0.317 67 T C -1.284 173.386 174.700 -0.050 0.000 1.401 67 T CA -0.625 61.450 62.100 -0.042 0.000 1.028 67 T CB 1.739 70.587 68.868 -0.033 0.000 1.317 67 T HN -0.054 nan 8.240 nan 0.000 0.495 68 K N 2.528 122.886 120.400 -0.071 0.000 2.537 68 K HA 0.253 4.573 4.320 -0.000 0.000 0.206 68 K C 0.704 177.220 176.600 -0.139 0.000 1.041 68 K CA -0.343 55.888 56.287 -0.093 0.000 1.090 68 K CB -0.067 32.368 32.500 -0.107 0.000 0.833 68 K HN 0.652 nan 8.250 nan 0.000 0.493 69 L N 1.907 123.069 121.223 -0.102 0.000 2.653 69 L HA -0.100 4.240 4.340 -0.000 0.000 0.288 69 L C -0.438 176.398 176.870 -0.055 0.000 1.243 69 L CA 0.015 54.804 54.840 -0.085 0.000 0.906 69 L CB 0.143 42.193 42.059 -0.015 0.000 1.154 69 L HN 0.155 nan 8.230 nan 0.000 0.498 70 Y N 5.058 125.358 120.300 -0.000 0.000 2.904 70 Y HA -0.068 4.482 4.550 -0.000 0.000 0.336 70 Y C 0.737 176.638 175.900 0.002 0.000 1.263 70 Y CA 0.224 58.325 58.100 0.002 0.000 1.547 70 Y CB -0.006 38.457 38.460 0.004 0.000 1.272 70 Y HN 0.459 nan 8.280 nan 0.000 0.596 71 L N 2.885 124.210 121.223 0.171 0.000 2.476 71 L HA 0.226 4.566 4.340 -0.000 0.000 0.264 71 L C 1.351 178.283 176.870 0.103 0.000 1.224 71 L CA -0.215 54.686 54.840 0.102 0.000 0.821 71 L CB 0.046 42.139 42.059 0.057 0.000 1.101 71 L HN 0.831 nan 8.230 nan 0.000 0.488 72 G N 0.584 109.427 108.800 0.072 0.000 2.690 72 G HA2 0.103 4.063 3.960 -0.000 0.000 0.239 72 G HA3 0.103 4.063 3.960 -0.000 0.000 0.239 72 G C 0.988 175.917 174.900 0.049 0.000 1.233 72 G CA -0.425 44.708 45.100 0.055 0.000 0.847 72 G HN 0.695 nan 8.290 nan 0.000 0.588 73 I N 0.334 120.912 120.570 0.013 0.000 2.264 73 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 73 I C 1.923 178.058 176.117 0.031 0.000 1.111 73 I CA 1.625 62.915 61.300 -0.017 0.000 1.382 73 I CB -0.133 37.813 38.000 -0.090 0.000 1.060 73 I HN 0.578 nan 8.210 nan 0.000 0.418 74 D N 0.343 120.790 120.400 0.079 0.000 2.339 74 D HA 0.217 4.857 4.640 -0.000 0.000 0.217 74 D C 1.044 177.446 176.300 0.170 0.000 1.050 74 D CA 0.678 54.787 54.000 0.181 0.000 0.856 74 D CB -0.124 40.898 40.800 0.372 0.000 0.922 74 D HN 0.368 nan 8.370 nan 0.000 0.518 75 G N 0.666 109.528 108.800 0.104 0.000 2.568 75 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.222 75 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.222 75 G C -0.500 174.432 174.900 0.053 0.000 1.321 75 G CA -0.413 44.714 45.100 0.044 0.000 0.893 75 G HN 0.288 nan 8.290 nan 0.000 0.569 76 I N 2.598 123.174 120.570 0.011 0.000 2.517 76 I HA 0.159 4.329 4.170 -0.000 0.000 0.285 76 I C -0.945 175.242 176.117 0.116 0.000 1.106 76 I CA -1.426 59.902 61.300 0.045 0.000 1.402 76 I CB 1.457 39.460 38.000 0.004 0.000 1.399 76 I HN 0.299 nan 8.210 nan 0.000 0.535 77 P HA -0.211 nan 4.420 nan 0.000 0.215 77 P C 1.414 178.755 177.300 0.070 0.000 1.153 77 P CA 1.037 64.185 63.100 0.079 0.000 0.853 77 P CB 0.277 32.009 31.700 0.053 0.000 0.788 78 E N -0.973 119.260 120.200 0.055 0.000 2.110 78 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 78 E C 1.759 178.373 176.600 0.024 0.000 0.988 78 E CA 1.021 57.435 56.400 0.023 0.000 0.804 78 E CB -1.161 28.542 29.700 0.004 0.000 0.745 78 E HN 0.153 nan 8.360 nan 0.000 0.458 79 F N 0.180 120.075 119.950 -0.091 0.000 2.126 79 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 79 F C 2.026 177.786 175.800 -0.066 0.000 1.096 79 F CA 2.111 60.038 58.000 -0.123 0.000 1.255 79 F CB -0.684 38.243 39.000 -0.121 0.000 0.997 79 F HN 0.128 nan 8.300 nan 0.000 0.479 80 G N 0.142 109.006 108.800 0.107 0.000 2.418 80 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 80 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 80 G C 1.805 176.663 174.900 -0.071 0.000 1.158 80 G CA 0.713 45.823 45.100 0.016 0.000 0.771 80 G HN 0.314 nan 8.290 nan 0.000 0.545 81 R N -0.519 119.952 120.500 -0.048 0.000 2.073 81 R HA -0.064 4.275 4.340 -0.000 0.000 0.234 81 R C 2.719 178.966 176.300 -0.088 0.000 1.134 81 R CA 1.427 57.497 56.100 -0.049 0.000 0.952 81 R CB -0.793 29.490 30.300 -0.030 0.000 0.850 81 R HN 0.380 nan 8.270 nan 0.000 0.433 82 C N -0.049 119.166 119.300 -0.141 0.000 2.425 82 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 82 C C 2.744 177.613 174.990 -0.201 0.000 1.280 82 C CA 1.016 59.928 59.018 -0.178 0.000 1.744 82 C CB -0.860 26.731 27.740 -0.249 0.000 1.989 82 C HN 0.554 nan 8.230 nan 0.000 0.491 83 T N 0.658 115.038 114.554 -0.290 0.000 2.674 83 T HA -0.222 4.128 4.350 -0.000 0.000 0.265 83 T C 1.836 176.421 174.700 -0.191 0.000 1.039 83 T CA 1.549 63.504 62.100 -0.241 0.000 1.150 83 T CB -0.344 68.324 68.868 -0.333 0.000 0.864 83 T HN 0.650 nan 8.240 nan 0.000 0.427 84 Q N 0.522 120.237 119.800 -0.140 0.000 2.124 84 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 84 Q C 2.385 178.354 176.000 -0.052 0.000 0.977 84 Q CA 1.216 56.967 55.803 -0.086 0.000 0.850 84 Q CB -0.167 28.631 28.738 0.100 0.000 0.901 84 Q HN 0.635 nan 8.270 nan 0.000 0.429 85 E N 0.267 120.446 120.200 -0.035 0.000 2.077 85 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 85 E C 1.908 178.493 176.600 -0.026 0.000 0.989 85 E CA 0.685 57.080 56.400 -0.007 0.000 0.800 85 E CB 0.010 29.703 29.700 -0.012 0.000 0.746 85 E HN 0.155 nan 8.360 nan 0.000 0.452 86 L N 0.822 122.011 121.223 -0.056 0.000 2.056 86 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 86 L C 2.150 178.982 176.870 -0.064 0.000 1.078 86 L CA 1.473 56.298 54.840 -0.025 0.000 0.749 86 L CB -0.647 41.413 42.059 0.002 0.000 0.901 86 L HN 0.159 nan 8.230 nan 0.000 0.433 87 L N -2.395 118.688 121.223 -0.234 0.000 2.027 87 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 87 L C 1.955 178.580 176.870 -0.407 0.000 1.074 87 L CA 1.193 55.767 54.840 -0.443 0.000 0.745 87 L CB -0.418 41.019 42.059 -1.037 0.000 0.898 87 L HN 0.168 nan 8.230 nan 0.000 0.433 88 F N -0.756 119.182 119.950 -0.019 0.000 2.727 88 F HA 0.429 4.956 4.527 -0.000 0.000 0.302 88 F C 1.140 176.922 175.800 -0.031 0.000 1.107 88 F CA -0.059 57.913 58.000 -0.046 0.000 1.277 88 F CB -0.147 38.823 39.000 -0.050 0.000 1.079 88 F HN 0.051 nan 8.300 nan 0.000 0.594 89 G N 1.667 110.538 108.800 0.120 0.000 2.907 89 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.686 89 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.686 89 G C -0.477 174.464 174.900 0.069 0.000 1.115 89 G CA -1.099 44.045 45.100 0.073 0.000 0.760 89 G HN 0.034 nan 8.290 nan 0.000 0.620 90 K N 0.937 121.362 120.400 0.041 0.000 2.491 90 K HA 0.353 4.673 4.320 -0.000 0.000 0.279 90 K C 1.619 178.235 176.600 0.027 0.000 1.026 90 K CA 1.718 58.023 56.287 0.030 0.000 1.070 90 K CB 0.179 32.690 32.500 0.018 0.000 0.887 90 K HN 2.325 nan 8.250 nan 0.000 0.481 91 G N 2.363 111.177 108.800 0.023 0.000 2.148 91 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.254 91 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.254 91 G C 0.181 175.089 174.900 0.012 0.000 0.981 91 G CA 0.630 45.739 45.100 0.014 0.000 0.670 91 G HN 0.688 nan 8.290 nan 0.000 0.528 92 S N -0.042 115.674 115.700 0.027 0.000 2.558 92 S HA 0.526 4.996 4.470 -0.000 0.000 0.288 92 S C 1.967 176.553 174.600 -0.023 0.000 1.318 92 S CA 0.683 58.891 58.200 0.014 0.000 1.056 92 S CB 0.932 64.167 63.200 0.059 0.000 0.853 92 S HN 1.694 nan 8.310 nan 0.000 0.505 93 A N 4.664 127.456 122.820 -0.046 0.000 1.972 93 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 93 A C 1.978 179.504 177.584 -0.096 0.000 1.169 93 A CA 1.351 53.352 52.037 -0.061 0.000 0.635 93 A CB -0.691 18.273 19.000 -0.059 0.000 0.810 93 A HN 0.803 nan 8.150 nan 0.000 0.446 94 L N -0.382 120.743 121.223 -0.164 0.000 2.083 94 L HA -0.160 4.179 4.340 -0.000 0.000 0.209 94 L C 2.345 179.122 176.870 -0.155 0.000 1.083 94 L CA 1.553 56.242 54.840 -0.251 0.000 0.752 94 L CB -0.421 41.283 42.059 -0.591 0.000 0.899 94 L HN 0.421 nan 8.230 nan 0.000 0.433 95 I N -1.190 119.334 120.570 -0.078 0.000 2.235 95 I HA -0.194 3.976 4.170 -0.000 0.000 0.241 95 I C 2.048 178.150 176.117 -0.026 0.000 1.085 95 I CA 0.644 61.933 61.300 -0.018 0.000 1.378 95 I CB -0.409 37.612 38.000 0.035 0.000 1.076 95 I HN 0.256 nan 8.210 nan 0.000 0.415 96 N N 1.130 119.814 118.700 -0.026 0.000 2.094 96 N HA -0.194 4.546 4.740 -0.000 0.000 0.191 96 N C 1.162 176.655 175.510 -0.029 0.000 1.023 96 N CA 1.474 54.511 53.050 -0.023 0.000 0.857 96 N CB -0.430 38.044 38.487 -0.021 0.000 1.013 96 N HN 0.330 nan 8.380 nan 0.000 0.426 97 D N 0.408 120.783 120.400 -0.042 0.000 2.340 97 D HA 0.046 4.686 4.640 -0.000 0.000 0.220 97 D C 0.054 176.329 176.300 -0.042 0.000 1.039 97 D CA 0.134 54.110 54.000 -0.041 0.000 0.866 97 D CB 0.093 40.864 40.800 -0.049 0.000 0.913 97 D HN 0.231 nan 8.370 nan 0.000 0.523 98 K N -0.099 120.274 120.400 -0.045 0.000 3.096 98 K HA -0.235 4.085 4.320 -0.000 0.000 0.266 98 K C 0.748 177.314 176.600 -0.057 0.000 1.043 98 K CA 0.213 56.473 56.287 -0.045 0.000 0.758 98 K CB -1.122 31.360 32.500 -0.030 0.000 1.260 98 K HN 0.202 nan 8.250 nan 0.000 0.481 99 R N -0.205 120.249 120.500 -0.078 0.000 2.300 99 R HA 0.166 4.506 4.340 -0.000 0.000 0.199 99 R C 0.570 176.813 176.300 -0.095 0.000 0.920 99 R CA 0.664 56.715 56.100 -0.082 0.000 1.046 99 R CB 0.610 30.848 30.300 -0.102 0.000 0.984 99 R HN 0.289 nan 8.270 nan 0.000 0.493 100 A N 1.119 123.877 122.820 -0.103 0.000 2.355 100 A HA 0.642 4.962 4.320 -0.000 0.000 0.317 100 A C -0.697 176.792 177.584 -0.159 0.000 1.094 100 A CA -0.777 51.209 52.037 -0.086 0.000 0.764 100 A CB 1.190 20.200 19.000 0.016 0.000 1.230 100 A HN -0.020 nan 8.150 nan 0.000 0.448 101 R N 1.007 121.331 120.500 -0.293 0.000 2.621 101 R HA 0.665 5.005 4.340 -0.000 0.000 0.292 101 R C -1.242 174.706 176.300 -0.586 0.000 0.969 101 R CA -0.383 55.311 56.100 -0.676 0.000 0.887 101 R CB 1.855 31.309 30.300 -1.410 0.000 1.180 101 R HN 0.696 nan 8.270 nan 0.000 0.450 102 T N 1.256 115.567 114.554 -0.405 0.000 2.792 102 T HA 0.580 4.930 4.350 -0.000 0.000 0.280 102 T C -0.579 174.240 174.700 0.198 0.000 0.990 102 T CA -0.544 61.531 62.100 -0.041 0.000 0.960 102 T CB 1.719 70.598 68.868 0.019 0.000 0.939 102 T HN 0.589 nan 8.240 nan 0.000 0.439 103 A N 3.410 126.467 122.820 0.397 0.000 2.260 103 A HA 0.524 4.844 4.320 -0.000 0.000 0.314 103 A C 0.246 178.019 177.584 0.315 0.000 1.257 103 A CA -0.680 51.602 52.037 0.408 0.000 0.871 103 A CB 0.552 19.762 19.000 0.350 0.000 1.166 103 A HN 0.799 nan 8.150 nan 0.000 0.522 104 Q N 1.974 121.950 119.800 0.293 0.000 2.311 104 Q HA 0.332 4.672 4.340 -0.000 0.000 0.272 104 Q C -0.106 175.969 176.000 0.126 0.000 1.012 104 Q CA 0.643 56.566 55.803 0.201 0.000 0.891 104 Q CB 0.419 29.071 28.738 -0.144 0.000 1.201 104 Q HN 0.812 nan 8.270 nan 0.000 0.391 105 T N 0.929 115.540 114.554 0.096 0.000 2.901 105 T HA 0.573 4.923 4.350 -0.000 0.000 0.293 105 T C -2.713 171.925 174.700 -0.102 0.000 1.084 105 T CA -2.110 60.018 62.100 0.046 0.000 1.008 105 T CB 1.721 70.660 68.868 0.119 0.000 1.170 105 T HN 0.473 nan 8.240 nan 0.000 0.509 106 P HA 0.401 nan 4.420 nan 0.000 0.260 106 P C 0.707 177.941 177.300 -0.109 0.000 1.651 106 P CA 0.718 63.674 63.100 -0.239 0.000 1.139 106 P CB -0.456 30.998 31.700 -0.409 0.000 1.756 107 G N 2.754 111.526 108.800 -0.046 0.000 2.781 107 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.683 107 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.683 107 G C 0.947 175.854 174.900 0.012 0.000 1.390 107 G CA -0.514 44.583 45.100 -0.005 0.000 0.850 107 G HN 0.453 nan 8.290 nan 0.000 0.557 108 G N -0.461 108.337 108.800 -0.003 0.000 2.462 108 G HA2 0.029 3.989 3.960 -0.000 0.000 0.220 108 G HA3 0.029 3.989 3.960 -0.000 0.000 0.220 108 G C 2.084 177.020 174.900 0.060 0.000 1.121 108 G CA 2.145 47.248 45.100 0.006 0.000 0.758 108 G HN 1.263 nan 8.290 nan 0.000 0.559 109 S N 0.605 116.351 115.700 0.077 0.000 2.356 109 S HA -0.052 4.418 4.470 -0.000 0.000 0.223 109 S C 2.561 177.202 174.600 0.068 0.000 1.032 109 S CA 1.187 59.451 58.200 0.107 0.000 1.005 109 S CB -0.638 62.624 63.200 0.103 0.000 0.867 109 S HN 0.524 nan 8.310 nan 0.000 0.449 110 G N 1.435 110.258 108.800 0.038 0.000 2.440 110 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 110 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 110 G C 1.566 176.535 174.900 0.114 0.000 1.154 110 G CA 1.004 46.131 45.100 0.045 0.000 0.767 110 G HN 0.579 nan 8.290 nan 0.000 0.552 111 A N 0.472 123.357 122.820 0.109 0.000 1.933 111 A HA 0.075 4.395 4.320 -0.000 0.000 0.218 111 A C 2.443 180.123 177.584 0.159 0.000 1.175 111 A CA 1.350 53.472 52.037 0.142 0.000 0.628 111 A CB -0.373 18.702 19.000 0.125 0.000 0.814 111 A HN 0.371 nan 8.150 nan 0.000 0.444 112 L N -1.374 119.933 121.223 0.141 0.000 2.056 112 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 112 L C 2.744 179.686 176.870 0.120 0.000 1.078 112 L CA 1.567 56.496 54.840 0.148 0.000 0.749 112 L CB -0.378 41.736 42.059 0.092 0.000 0.901 112 L HN 0.330 nan 8.230 nan 0.000 0.433 113 R N 0.122 120.674 120.500 0.086 0.000 2.075 113 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 113 R C 2.073 178.467 176.300 0.156 0.000 1.126 113 R CA 1.537 57.692 56.100 0.091 0.000 0.963 113 R CB -0.872 29.475 30.300 0.079 0.000 0.858 113 R HN 0.091 nan 8.270 nan 0.000 0.435 114 V N 0.973 120.994 119.914 0.179 0.000 2.287 114 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 114 V C 2.376 178.610 176.094 0.233 0.000 1.053 114 V CA 2.049 64.461 62.300 0.186 0.000 1.027 114 V CB -1.073 30.857 31.823 0.179 0.000 0.646 114 V HN 0.533 nan 8.190 nan 0.000 0.447 115 A N -0.023 122.948 122.820 0.252 0.000 1.883 115 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 115 A C 2.436 180.247 177.584 0.378 0.000 1.186 115 A CA 2.424 54.658 52.037 0.328 0.000 0.624 115 A CB -0.901 18.288 19.000 0.315 0.000 0.822 115 A HN 0.601 nan 8.150 nan 0.000 0.444 116 A N -0.164 122.873 122.820 0.361 0.000 1.877 116 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 116 A C 1.803 179.526 177.584 0.231 0.000 1.186 116 A CA 1.945 54.195 52.037 0.355 0.000 0.620 116 A CB -0.638 18.610 19.000 0.414 0.000 0.822 116 A HN 0.465 nan 8.150 nan 0.000 0.443 117 D N -1.048 119.473 120.400 0.201 0.000 2.117 117 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 117 D C 1.624 178.015 176.300 0.151 0.000 0.987 117 D CA 1.398 55.485 54.000 0.144 0.000 0.829 117 D CB -0.485 40.387 40.800 0.120 0.000 0.961 117 D HN 0.494 nan 8.370 nan 0.000 0.460 118 F N 1.390 121.385 119.950 0.076 0.000 2.102 118 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 118 F C 2.059 177.903 175.800 0.072 0.000 1.105 118 F CA 1.228 59.268 58.000 0.066 0.000 1.239 118 F CB -0.408 38.641 39.000 0.082 0.000 0.991 118 F HN -0.114 nan 8.300 nan 0.000 0.474 119 L N 0.183 121.371 121.223 -0.058 0.000 2.017 119 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 119 L C 2.882 179.670 176.870 -0.137 0.000 1.073 119 L CA 1.225 55.965 54.840 -0.167 0.000 0.745 119 L CB -1.314 40.779 42.059 0.057 0.000 0.894 119 L HN 0.299 nan 8.230 nan 0.000 0.432 120 A N -0.050 122.748 122.820 -0.036 0.000 1.902 120 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 120 A C 2.233 179.784 177.584 -0.055 0.000 1.181 120 A CA 1.822 53.846 52.037 -0.022 0.000 0.623 120 A CB -0.284 18.732 19.000 0.026 0.000 0.818 120 A HN 0.206 nan 8.150 nan 0.000 0.443 121 K N -0.290 120.064 120.400 -0.077 0.000 2.262 121 K HA 0.120 4.440 4.320 -0.000 0.000 0.200 121 K C 1.051 177.580 176.600 -0.118 0.000 1.049 121 K CA 0.950 57.193 56.287 -0.072 0.000 0.979 121 K CB 0.140 32.617 32.500 -0.038 0.000 0.773 121 K HN 0.503 nan 8.250 nan 0.000 0.474 122 N N -0.346 118.214 118.700 -0.234 0.000 2.171 122 N HA 0.035 4.775 4.740 -0.000 0.000 0.212 122 N C -0.139 175.230 175.510 -0.234 0.000 1.184 122 N CA 0.362 53.254 53.050 -0.263 0.000 0.888 122 N CB 1.365 39.598 38.487 -0.422 0.000 1.038 122 N HN 0.242 nan 8.380 nan 0.000 0.517 123 T N -2.490 111.940 114.554 -0.205 0.000 2.804 123 T HA 0.267 4.616 4.350 -0.000 0.000 0.290 123 T C 0.783 175.446 174.700 -0.062 0.000 1.099 123 T CA -0.556 61.473 62.100 -0.119 0.000 1.011 123 T CB 1.463 70.261 68.868 -0.117 0.000 1.291 123 T HN -0.078 nan 8.240 nan 0.000 0.523 124 S N -0.479 115.207 115.700 -0.023 0.000 2.631 124 S HA 0.226 4.695 4.470 -0.000 0.000 0.217 124 S C 0.616 175.220 174.600 0.007 0.000 0.958 124 S CA -0.508 57.690 58.200 -0.003 0.000 0.920 124 S CB -0.705 62.504 63.200 0.014 0.000 0.776 124 S HN 0.660 nan 8.310 nan 0.000 0.517 125 V N 2.643 122.557 119.914 -0.000 0.000 2.557 125 V HA 0.131 4.251 4.120 -0.000 0.000 0.301 125 V C 0.365 176.458 176.094 -0.002 0.000 1.026 125 V CA 0.515 62.821 62.300 0.009 0.000 1.137 125 V CB -0.059 31.766 31.823 0.003 0.000 0.917 125 V HN 0.473 nan 8.190 nan 0.000 0.484 134 W N 4.282 125.444 121.300 -0.230 0.000 2.361 134 W HA 0.728 5.388 4.660 -0.000 0.000 0.309 134 W C 0.093 176.559 176.519 -0.088 0.000 1.122 134 W CA -0.578 56.692 57.345 -0.124 0.000 1.208 134 W CB 1.749 31.128 29.460 -0.135 0.000 1.246 134 W HN 0.589 nan 8.180 nan 0.000 0.490 135 V N 0.777 120.709 119.914 0.031 0.000 3.001 135 V HA 0.743 4.863 4.120 -0.000 0.000 0.314 135 V C 0.190 175.878 176.094 -0.677 0.000 1.099 135 V CA -1.299 60.898 62.300 -0.171 0.000 0.989 135 V CB 1.205 33.019 31.823 -0.015 0.000 1.040 135 V HN 0.541 nan 8.190 nan 0.000 0.434 136 S N 2.165 117.348 115.700 -0.861 0.000 2.579 136 S HA 0.236 4.706 4.470 -0.000 0.000 0.275 136 S C -0.017 174.361 174.600 -0.371 0.000 1.345 136 S CA -0.358 57.242 58.200 -0.999 0.000 1.031 136 S CB 0.307 63.082 63.200 -0.709 0.000 0.892 136 S HN 1.129 nan 8.310 nan 0.000 0.529 137 N N 2.413 120.991 118.700 -0.204 0.000 2.417 137 N HA 0.361 5.101 4.740 -0.000 0.000 0.274 137 N C -2.795 172.770 175.510 0.090 0.000 0.987 137 N CA -1.903 51.137 53.050 -0.017 0.000 0.912 137 N CB 1.510 40.015 38.487 0.031 0.000 1.177 137 N HN 0.457 nan 8.380 nan 0.000 0.490 138 P HA 0.176 nan 4.420 nan 0.000 0.278 138 P C -0.845 176.442 177.300 -0.022 0.000 1.258 138 P CA -0.278 62.838 63.100 0.027 0.000 0.811 138 P CB 1.236 32.945 31.700 0.015 0.000 1.063 139 S N -0.665 115.033 115.700 -0.002 0.000 2.638 139 S HA 0.477 4.947 4.470 -0.000 0.000 0.302 139 S C -1.242 173.419 174.600 0.102 0.000 1.096 139 S CA -0.768 57.466 58.200 0.057 0.000 0.953 139 S CB 0.866 64.115 63.200 0.083 0.000 1.107 139 S HN 0.530 nan 8.310 nan 0.000 0.503 140 W N 2.832 124.107 121.300 -0.042 0.000 2.345 140 W HA 0.455 5.115 4.660 -0.000 0.000 0.308 140 W C -2.350 174.070 176.519 -0.165 0.000 1.273 140 W CA -1.948 55.305 57.345 -0.154 0.000 1.243 140 W CB 0.677 29.984 29.460 -0.255 0.000 1.260 140 W HN 0.558 nan 8.180 nan 0.000 0.509 141 P HA -0.229 nan 4.420 nan 0.000 0.218 141 P C 1.052 178.061 177.300 -0.484 0.000 1.148 141 P CA 1.863 64.743 63.100 -0.367 0.000 0.822 141 P CB 0.190 31.681 31.700 -0.349 0.000 0.784 142 N N -1.556 116.565 118.700 -0.965 0.000 2.289 142 N HA -0.158 4.582 4.740 -0.000 0.000 0.184 142 N C 1.612 176.856 175.510 -0.443 0.000 1.016 142 N CA 0.532 53.077 53.050 -0.841 0.000 0.872 142 N CB -0.306 37.367 38.487 -1.357 0.000 0.973 142 N HN 0.393 nan 8.380 nan 0.000 0.433 143 H N 0.744 119.719 119.070 -0.158 0.000 2.267 143 H HA -0.133 4.423 4.556 -0.000 0.000 0.297 143 H C 2.283 177.588 175.328 -0.039 0.000 1.080 143 H CA 1.420 57.445 56.048 -0.038 0.000 1.278 143 H CB 0.091 30.032 29.762 0.298 0.000 1.365 143 H HN 0.083 nan 8.280 nan 0.000 0.489 144 K N 0.596 121.081 120.400 0.142 0.000 2.032 144 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 144 K C 2.406 179.008 176.600 0.004 0.000 1.048 144 K CA 1.727 58.070 56.287 0.094 0.000 0.927 144 K CB -0.018 32.498 32.500 0.028 0.000 0.712 144 K HN 0.093 nan 8.250 nan 0.000 0.441 145 S N 0.215 115.859 115.700 -0.094 0.000 2.353 145 S HA -0.142 4.328 4.470 -0.000 0.000 0.222 145 S C 1.960 176.491 174.600 -0.116 0.000 1.035 145 S CA 1.527 59.659 58.200 -0.114 0.000 1.025 145 S CB -0.257 62.840 63.200 -0.172 0.000 0.902 145 S HN 0.164 nan 8.310 nan 0.000 0.440 146 V N 1.162 120.950 119.914 -0.210 0.000 2.307 146 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 146 V C 2.009 177.996 176.094 -0.178 0.000 1.045 146 V CA 1.709 63.860 62.300 -0.249 0.000 1.024 146 V CB -0.869 30.716 31.823 -0.397 0.000 0.651 146 V HN 0.380 nan 8.190 nan 0.000 0.449 147 F N 0.873 120.850 119.950 0.044 0.000 2.146 147 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 147 F C 2.226 178.028 175.800 0.004 0.000 1.096 147 F CA 1.443 59.460 58.000 0.029 0.000 1.275 147 F CB -1.327 37.685 39.000 0.021 0.000 1.008 147 F HN 0.203 nan 8.300 nan 0.000 0.480 148 N N -0.107 118.679 118.700 0.144 0.000 2.104 148 N HA -0.218 4.522 4.740 -0.000 0.000 0.190 148 N C 2.079 177.614 175.510 0.042 0.000 1.024 148 N CA 1.452 54.541 53.050 0.065 0.000 0.853 148 N CB -0.264 38.237 38.487 0.024 0.000 1.008 148 N HN 0.289 nan 8.380 nan 0.000 0.424 149 S N 0.836 116.550 115.700 0.022 0.000 2.387 149 S HA -0.125 4.345 4.470 -0.000 0.000 0.230 149 S C 1.857 176.476 174.600 0.033 0.000 1.035 149 S CA 1.152 59.359 58.200 0.012 0.000 1.014 149 S CB -0.277 62.917 63.200 -0.010 0.000 0.836 149 S HN 0.337 nan 8.310 nan 0.000 0.466 150 A N 0.287 123.145 122.820 0.063 0.000 2.238 150 A HA 0.558 4.878 4.320 -0.000 0.000 0.208 150 A C 1.675 179.298 177.584 0.064 0.000 1.177 150 A CA 0.588 52.671 52.037 0.077 0.000 0.804 150 A CB -1.145 17.931 19.000 0.127 0.000 0.823 150 A HN 1.673 nan 8.150 nan 0.000 0.482 151 G N -1.853 106.979 108.800 0.053 0.000 2.132 151 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.234 151 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.234 151 G C -0.100 174.819 174.900 0.031 0.000 0.989 151 G CA 0.301 45.421 45.100 0.033 0.000 0.676 151 G HN 0.294 nan 8.290 nan 0.000 0.522 155 V N 3.882 123.703 119.914 -0.155 0.000 2.487 155 V HA 0.633 4.753 4.120 -0.000 0.000 0.298 155 V C -0.189 175.718 176.094 -0.311 0.000 1.028 155 V CA -0.740 61.441 62.300 -0.199 0.000 0.860 155 V CB 1.638 33.439 31.823 -0.037 0.000 0.991 155 V HN 0.501 nan 8.190 nan 0.000 0.427 156 R N 2.516 122.693 120.500 -0.539 0.000 2.803 156 R HA 0.597 4.937 4.340 -0.000 0.000 0.276 156 R C -0.732 175.341 176.300 -0.378 0.000 0.978 156 R CA -0.740 54.971 56.100 -0.648 0.000 0.939 156 R CB 2.620 32.089 30.300 -1.385 0.000 1.179 156 R HN 0.718 nan 8.270 nan 0.000 0.472 157 E N 1.862 121.977 120.200 -0.141 0.000 2.191 157 E HA 0.240 4.590 4.350 -0.000 0.000 0.278 157 E C -0.945 175.822 176.600 0.278 0.000 0.972 157 E CA -0.611 55.797 56.400 0.013 0.000 0.804 157 E CB 1.506 31.192 29.700 -0.023 0.000 1.110 157 E HN 0.387 nan 8.360 nan 0.000 0.394 158 Y N -0.107 120.340 120.300 0.246 0.000 2.420 158 Y HA 0.688 5.237 4.550 -0.000 0.000 0.334 158 Y C -0.155 175.832 175.900 0.144 0.000 1.094 158 Y CA -1.499 56.714 58.100 0.189 0.000 1.126 158 Y CB 0.692 39.196 38.460 0.074 0.000 1.217 158 Y HN 0.449 nan 8.280 nan 0.000 0.462 159 A N 2.585 125.588 122.820 0.304 0.000 2.498 159 A HA 0.292 4.611 4.320 -0.000 0.000 0.239 159 A C -0.620 177.172 177.584 0.346 0.000 1.068 159 A CA 0.326 52.499 52.037 0.228 0.000 0.766 159 A CB -0.225 18.862 19.000 0.144 0.000 1.003 159 A HN 1.069 nan 8.150 nan 0.000 0.497 160 Y N 0.769 121.139 120.300 0.117 0.000 3.032 160 Y HA 0.240 4.790 4.550 -0.000 0.000 0.232 160 Y C -0.455 175.521 175.900 0.127 0.000 1.099 160 Y CA 0.084 58.253 58.100 0.115 0.000 1.328 160 Y CB 0.280 38.742 38.460 0.003 0.000 1.432 160 Y HN 0.654 nan 8.280 nan 0.000 0.433 161 Y N 2.778 123.122 120.300 0.072 0.000 2.331 161 Y HA 0.425 4.975 4.550 -0.000 0.000 0.338 161 Y C -0.847 175.057 175.900 0.007 0.000 0.992 161 Y CA -1.653 56.458 58.100 0.018 0.000 1.121 161 Y CB 0.844 39.393 38.460 0.147 0.000 1.184 161 Y HN 0.109 nan 8.280 nan 0.000 0.469 162 D N 4.820 124.954 120.400 -0.445 0.000 2.380 162 D HA 0.277 4.917 4.640 -0.000 0.000 0.230 162 D C 0.410 176.197 176.300 -0.856 0.000 1.154 162 D CA 0.160 53.882 54.000 -0.463 0.000 0.859 162 D CB 1.415 42.030 40.800 -0.309 0.000 1.045 162 D HN 0.768 nan 8.370 nan 0.000 0.495 163 A N 3.891 126.316 122.820 -0.659 0.000 2.119 163 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 163 A C 1.851 178.983 177.584 -0.753 0.000 1.152 163 A CA 0.827 52.467 52.037 -0.661 0.000 0.708 163 A CB -0.079 18.822 19.000 -0.166 0.000 0.805 163 A HN 0.571 nan 8.150 nan 0.000 0.460 164 E N 0.156 120.029 120.200 -0.545 0.000 2.076 164 E HA -0.027 4.322 4.350 -0.000 0.000 0.190 164 E C 1.603 177.888 176.600 -0.525 0.000 0.979 164 E CA 1.091 57.212 56.400 -0.464 0.000 0.807 164 E CB -0.009 29.536 29.700 -0.258 0.000 0.761 164 E HN 0.647 nan 8.360 nan 0.000 0.454 165 N N -0.401 118.020 118.700 -0.465 0.000 2.325 165 N HA -0.017 4.723 4.740 -0.000 0.000 0.182 165 N C -0.608 174.767 175.510 -0.225 0.000 1.088 165 N CA 0.287 53.171 53.050 -0.276 0.000 0.879 165 N CB 0.299 38.683 38.487 -0.172 0.000 0.983 165 N HN 0.215 nan 8.380 nan 0.000 0.471 166 H N -0.161 118.704 119.070 -0.342 0.000 2.748 166 H HA -0.134 4.422 4.556 -0.000 0.000 0.322 166 H C -0.241 175.056 175.328 -0.053 0.000 1.208 166 H CA 0.935 56.831 56.048 -0.255 0.000 1.151 166 H CB -1.606 28.087 29.762 -0.114 0.000 1.505 166 H HN 0.051 nan 8.280 nan 0.000 0.429 167 T N -0.539 113.920 114.554 -0.158 0.000 2.883 167 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 167 T C -0.428 174.222 174.700 -0.083 0.000 1.117 167 T CA -0.976 61.104 62.100 -0.033 0.000 1.006 167 T CB 1.481 70.316 68.868 -0.055 0.000 1.191 167 T HN 0.314 nan 8.240 nan 0.000 0.508 168 L N 3.058 124.232 121.223 -0.082 0.000 2.433 168 L HA 0.269 4.609 4.340 -0.000 0.000 0.275 168 L C -0.069 176.725 176.870 -0.127 0.000 1.128 168 L CA -0.115 54.591 54.840 -0.224 0.000 0.875 168 L CB 0.347 42.228 42.059 -0.297 0.000 1.171 168 L HN 0.648 nan 8.230 nan 0.000 0.463 169 D N 4.495 124.816 120.400 -0.133 0.000 2.508 169 D HA -0.064 4.576 4.640 -0.000 0.000 0.224 169 D C 0.798 177.103 176.300 0.008 0.000 1.171 169 D CA 0.006 53.974 54.000 -0.054 0.000 1.006 169 D CB 0.275 41.038 40.800 -0.062 0.000 1.073 169 D HN 0.463 nan 8.370 nan 0.000 0.513 170 F N 2.181 122.064 119.950 -0.112 0.000 2.134 170 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 170 F C 1.656 177.436 175.800 -0.034 0.000 1.097 170 F CA 1.174 59.125 58.000 -0.082 0.000 1.264 170 F CB 0.234 39.187 39.000 -0.079 0.000 1.001 170 F HN 0.227 nan 8.300 nan 0.000 0.479 171 D N 0.224 120.644 120.400 0.033 0.000 2.106 171 D HA -0.209 4.431 4.640 -0.000 0.000 0.191 171 D C 2.380 178.638 176.300 -0.070 0.000 0.997 171 D CA 1.749 55.730 54.000 -0.033 0.000 0.834 171 D CB -0.766 40.040 40.800 0.009 0.000 0.956 171 D HN 0.326 nan 8.370 nan 0.000 0.448 172 A N 1.042 123.840 122.820 -0.038 0.000 1.933 172 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 172 A C 2.062 179.635 177.584 -0.018 0.000 1.175 172 A CA 0.898 52.925 52.037 -0.017 0.000 0.628 172 A CB -0.638 18.366 19.000 0.007 0.000 0.814 172 A HN 0.261 nan 8.150 nan 0.000 0.444 173 L N 0.411 121.606 121.223 -0.047 0.000 1.970 173 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 173 L C 2.275 179.054 176.870 -0.153 0.000 1.071 173 L CA 2.259 57.077 54.840 -0.037 0.000 0.751 173 L CB -1.265 40.736 42.059 -0.096 0.000 0.889 173 L HN 0.472 nan 8.230 nan 0.000 0.432 174 I N 0.274 120.674 120.570 -0.284 0.000 2.208 174 I HA -0.367 3.803 4.170 -0.000 0.000 0.245 174 I C 2.144 178.193 176.117 -0.113 0.000 1.097 174 I CA 1.848 63.009 61.300 -0.231 0.000 1.363 174 I CB -0.375 37.431 38.000 -0.323 0.000 1.051 174 I HN 0.455 nan 8.210 nan 0.000 0.413 175 N N 0.163 118.809 118.700 -0.091 0.000 2.188 175 N HA -0.164 4.576 4.740 -0.000 0.000 0.184 175 N C 1.935 177.420 175.510 -0.042 0.000 1.018 175 N CA 1.535 54.556 53.050 -0.048 0.000 0.858 175 N CB -0.041 38.429 38.487 -0.029 0.000 0.989 175 N HN 0.350 nan 8.380 nan 0.000 0.426 176 S N 0.645 116.323 115.700 -0.036 0.000 2.406 176 S HA 0.003 4.473 4.470 -0.000 0.000 0.228 176 S C 1.722 176.218 174.600 -0.173 0.000 1.020 176 S CA 0.562 58.753 58.200 -0.015 0.000 0.965 176 S CB -0.393 62.862 63.200 0.092 0.000 0.798 176 S HN 0.231 nan 8.310 nan 0.000 0.488 177 L N 1.565 122.626 121.223 -0.270 0.000 2.610 177 L HA 0.122 4.462 4.340 -0.000 0.000 0.232 177 L C 1.982 178.674 176.870 -0.297 0.000 1.149 177 L CA 0.344 54.855 54.840 -0.549 0.000 0.872 177 L CB -0.695 41.003 42.059 -0.602 0.000 0.992 177 L HN 0.424 nan 8.230 nan 0.000 0.447 178 N N -0.035 118.591 118.700 -0.124 0.000 2.364 178 N HA -0.226 4.513 4.740 -0.000 0.000 0.183 178 N C 1.671 177.146 175.510 -0.057 0.000 1.022 178 N CA 0.616 53.648 53.050 -0.030 0.000 0.883 178 N CB 0.124 38.604 38.487 -0.012 0.000 0.965 178 N HN 0.349 nan 8.380 nan 0.000 0.438 179 E N 0.593 120.703 120.200 -0.151 0.000 2.427 179 E HA 0.053 4.403 4.350 -0.000 0.000 0.196 179 E C -0.178 176.377 176.600 -0.076 0.000 1.028 179 E CA -0.224 56.152 56.400 -0.041 0.000 0.864 179 E CB 0.202 29.975 29.700 0.121 0.000 0.813 179 E HN 0.256 nan 8.360 nan 0.000 0.514 180 A N 1.459 123.981 122.820 -0.497 0.000 2.409 180 A HA 0.151 4.471 4.320 -0.000 0.000 0.267 180 A C -0.188 177.431 177.584 0.058 0.000 1.127 180 A CA -0.207 51.538 52.037 -0.488 0.000 0.795 180 A CB 0.431 18.598 19.000 -1.389 0.000 1.061 180 A HN 0.214 nan 8.150 nan 0.000 0.502 181 Q N 1.066 120.982 119.800 0.193 0.000 2.312 181 Q HA 0.501 4.841 4.340 -0.000 0.000 0.236 181 Q C 0.453 176.616 176.000 0.272 0.000 0.965 181 Q CA -0.329 55.599 55.803 0.208 0.000 0.894 181 Q CB 1.221 30.065 28.738 0.176 0.000 1.225 181 Q HN 0.915 nan 8.270 nan 0.000 0.478 182 A N 0.788 123.735 122.820 0.211 0.000 2.567 182 A HA 0.346 4.666 4.320 -0.000 0.000 0.240 182 A C 1.151 178.845 177.584 0.184 0.000 1.053 182 A CA 0.917 53.069 52.037 0.192 0.000 0.755 182 A CB -0.796 18.262 19.000 0.098 0.000 0.978 182 A HN 0.995 nan 8.150 nan 0.000 0.507 183 G N 2.163 111.087 108.800 0.208 0.000 2.195 183 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.246 183 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.246 183 G C -0.048 174.955 174.900 0.172 0.000 0.984 183 G CA 0.304 45.504 45.100 0.165 0.000 0.633 183 G HN 0.833 nan 8.290 nan 0.000 0.525 184 D N 0.273 120.806 120.400 0.221 0.000 2.362 184 D HA 0.480 5.120 4.640 -0.000 0.000 0.242 184 D C 0.760 177.169 176.300 0.181 0.000 1.132 184 D CA -0.083 54.042 54.000 0.209 0.000 0.907 184 D CB 1.653 42.637 40.800 0.306 0.000 1.195 184 D HN 0.168 nan 8.370 nan 0.000 0.429 185 V N 1.635 121.614 119.914 0.109 0.000 2.567 185 V HA 0.316 4.436 4.120 -0.000 0.000 0.289 185 V C 0.197 176.288 176.094 -0.004 0.000 1.049 185 V CA -0.571 61.757 62.300 0.047 0.000 0.969 185 V CB 1.759 33.538 31.823 -0.073 0.000 0.995 185 V HN 0.219 nan 8.190 nan 0.000 0.471 186 V N 5.787 125.657 119.914 -0.073 0.000 2.444 186 V HA 0.426 4.546 4.120 -0.000 0.000 0.294 186 V C -0.337 175.494 176.094 -0.439 0.000 1.022 186 V CA -0.502 61.613 62.300 -0.309 0.000 0.850 186 V CB 1.705 33.176 31.823 -0.587 0.000 0.992 186 V HN 0.709 nan 8.190 nan 0.000 0.426 187 L N 5.543 126.510 121.223 -0.426 0.000 2.276 187 L HA 0.656 4.996 4.340 -0.000 0.000 0.286 187 L C -1.254 175.298 176.870 -0.530 0.000 1.061 187 L CA 0.010 54.614 54.840 -0.393 0.000 0.807 187 L CB 0.645 42.532 42.059 -0.286 0.000 1.177 187 L HN 0.497 nan 8.230 nan 0.000 0.429 188 F N 2.038 121.829 119.950 -0.265 0.000 2.522 188 F HA 0.420 4.947 4.527 -0.000 0.000 0.324 188 F C -0.149 175.647 175.800 -0.006 0.000 1.077 188 F CA -0.703 57.203 58.000 -0.157 0.000 0.944 188 F CB 1.240 39.901 39.000 -0.566 0.000 1.175 188 F HN 0.399 nan 8.300 nan 0.000 0.468 189 H N 0.544 119.796 119.070 0.303 0.000 2.620 189 H HA 0.304 4.860 4.556 -0.000 0.000 0.313 189 H C 1.103 176.733 175.328 0.503 0.000 1.075 189 H CA -0.200 56.050 56.048 0.336 0.000 1.397 189 H CB 1.245 31.185 29.762 0.297 0.000 1.446 189 H HN 0.781 nan 8.280 nan 0.000 0.493 190 G N 1.924 111.041 108.800 0.530 0.000 2.422 190 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.218 190 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.218 190 G C 0.268 175.423 174.900 0.425 0.000 1.146 190 G CA 1.106 46.339 45.100 0.221 0.000 0.769 190 G HN 0.814 nan 8.290 nan 0.000 0.547 191 C N -5.053 114.627 119.300 0.633 0.000 3.306 191 C HA 0.516 4.975 4.460 -0.000 0.000 0.335 191 C C 0.420 175.708 174.990 0.497 0.000 1.382 191 C CA -0.919 58.445 59.018 0.577 0.000 1.254 191 C CB 0.728 28.794 27.740 0.543 0.000 1.555 191 C HN 0.894 nan 8.230 nan 0.000 0.463 192 C N 2.261 121.774 119.300 0.356 0.000 3.896 192 C HA -0.129 4.331 4.460 -0.000 0.000 0.300 192 C C 0.629 175.718 174.990 0.165 0.000 1.322 192 C CA 1.160 60.279 59.018 0.168 0.000 2.130 192 C CB -3.414 24.287 27.740 -0.065 0.000 1.363 192 C HN 1.266 nan 8.230 nan 0.000 0.642 193 H N 1.786 120.947 119.070 0.152 0.000 3.195 193 H HA -0.023 4.533 4.556 -0.000 0.000 0.302 193 H C 0.526 175.808 175.328 -0.076 0.000 0.950 193 H CA 1.335 57.366 56.048 -0.029 0.000 1.398 193 H CB 0.491 30.179 29.762 -0.122 0.000 1.377 193 H HN 0.699 nan 8.280 nan 0.000 0.572 194 N N 7.112 125.506 118.700 -0.510 0.000 2.469 194 N HA 0.148 4.888 4.740 -0.000 0.000 0.253 194 N C -2.205 172.982 175.510 -0.538 0.000 0.970 194 N CA -2.129 50.737 53.050 -0.307 0.000 0.940 194 N CB 1.500 39.933 38.487 -0.089 0.000 1.128 194 N HN 0.443 nan 8.380 nan 0.000 0.503 195 P HA 0.138 nan 4.420 nan 0.000 0.282 195 P C 0.787 177.828 177.300 -0.432 0.000 1.327 195 P CA 0.214 63.032 63.100 -0.471 0.000 0.949 195 P CB 0.333 31.700 31.700 -0.553 0.000 1.445 196 T N -4.285 110.065 114.554 -0.339 0.000 3.023 196 T HA 0.151 4.501 4.350 -0.000 0.000 0.266 196 T C 1.724 176.449 174.700 0.041 0.000 1.093 196 T CA 1.132 63.017 62.100 -0.359 0.000 1.129 196 T CB -1.363 67.228 68.868 -0.461 0.000 0.899 196 T HN 0.164 nan 8.240 nan 0.000 0.491 197 G N 1.444 110.325 108.800 0.135 0.000 2.166 197 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.260 197 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.260 197 G C 0.018 175.051 174.900 0.221 0.000 0.986 197 G CA 0.275 45.485 45.100 0.184 0.000 0.683 197 G HN 0.597 nan 8.290 nan 0.000 0.527 198 I N 1.388 122.102 120.570 0.240 0.000 2.321 198 I HA 0.432 4.602 4.170 -0.000 0.000 0.291 198 I C -0.481 175.788 176.117 0.254 0.000 0.998 198 I CA -0.944 60.495 61.300 0.232 0.000 1.227 198 I CB 1.276 39.421 38.000 0.241 0.000 1.368 198 I HN -0.056 nan 8.210 nan 0.000 0.466 199 D N 7.642 128.166 120.400 0.207 0.000 2.269 199 D HA 0.482 5.122 4.640 -0.000 0.000 0.244 199 D C -2.360 173.937 176.300 -0.006 0.000 0.992 199 D CA -1.371 52.753 54.000 0.206 0.000 0.894 199 D CB 1.538 42.526 40.800 0.314 0.000 1.248 199 D HN 0.169 nan 8.370 nan 0.000 0.468 200 P HA 0.060 nan 4.420 nan 0.000 0.267 200 P C 0.169 177.290 177.300 -0.299 0.000 1.200 200 P CA -0.115 62.672 63.100 -0.522 0.000 0.772 200 P CB 0.219 31.143 31.700 -1.294 0.000 0.855 201 T N -0.066 114.366 114.554 -0.203 0.000 2.748 201 T HA 0.038 4.388 4.350 -0.000 0.000 0.304 201 T C 1.315 176.061 174.700 0.077 0.000 1.041 201 T CA -0.583 61.494 62.100 -0.038 0.000 1.033 201 T CB 0.208 69.029 68.868 -0.078 0.000 0.995 201 T HN 0.244 nan 8.240 nan 0.000 0.536 202 L N 0.244 121.579 121.223 0.187 0.000 2.042 202 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 202 L C 2.872 179.853 176.870 0.185 0.000 1.076 202 L CA 1.948 56.949 54.840 0.270 0.000 0.749 202 L CB -0.641 41.520 42.059 0.170 0.000 0.893 202 L HN 0.846 nan 8.230 nan 0.000 0.432 203 E N -0.650 119.586 120.200 0.060 0.000 2.077 203 E HA -0.287 4.063 4.350 -0.000 0.000 0.193 203 E C 2.114 178.697 176.600 -0.028 0.000 0.989 203 E CA 1.361 57.766 56.400 0.008 0.000 0.800 203 E CB -0.053 29.619 29.700 -0.046 0.000 0.746 203 E HN 0.636 nan 8.360 nan 0.000 0.452 204 Q N -0.382 119.318 119.800 -0.166 0.000 2.079 204 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 204 Q C 1.913 177.937 176.000 0.041 0.000 0.974 204 Q CA 1.330 56.926 55.803 -0.344 0.000 0.840 204 Q CB -0.194 28.100 28.738 -0.740 0.000 0.898 204 Q HN 0.408 nan 8.270 nan 0.000 0.430 205 W N 1.288 122.652 121.300 0.106 0.000 2.318 205 W HA -0.248 4.412 4.660 -0.000 0.000 0.313 205 W C 2.396 179.025 176.519 0.184 0.000 1.221 205 W CA 0.978 58.452 57.345 0.215 0.000 1.266 205 W CB -0.026 29.552 29.460 0.197 0.000 1.150 205 W HN 0.250 nan 8.180 nan 0.000 0.496 206 Q N -0.814 119.190 119.800 0.340 0.000 2.084 206 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 206 Q C 2.054 178.115 176.000 0.102 0.000 0.978 206 Q CA 2.108 58.008 55.803 0.163 0.000 0.844 206 Q CB -0.603 28.198 28.738 0.106 0.000 0.898 206 Q HN 0.210 nan 8.270 nan 0.000 0.426 207 T N 1.353 115.995 114.554 0.146 0.000 2.708 207 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 207 T C 1.847 176.650 174.700 0.173 0.000 1.037 207 T CA 0.930 63.129 62.100 0.164 0.000 1.146 207 T CB -0.221 68.810 68.868 0.272 0.000 0.865 207 T HN 0.174 nan 8.240 nan 0.000 0.435 208 L N 0.702 122.098 121.223 0.289 0.000 2.046 208 L HA -0.116 4.223 4.340 -0.000 0.000 0.208 208 L C 3.039 179.925 176.870 0.026 0.000 1.077 208 L CA 1.223 56.239 54.840 0.294 0.000 0.747 208 L CB -0.687 41.646 42.059 0.458 0.000 0.896 208 L HN 0.249 nan 8.230 nan 0.000 0.432 209 A N -0.293 122.342 122.820 -0.309 0.000 1.883 209 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 209 A C 2.220 179.570 177.584 -0.391 0.000 1.186 209 A CA 1.711 53.222 52.037 -0.877 0.000 0.624 209 A CB -0.499 18.101 19.000 -0.667 0.000 0.822 209 A HN 0.498 nan 8.150 nan 0.000 0.444 210 Q N -1.097 118.567 119.800 -0.226 0.000 2.050 210 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 210 Q C 2.133 177.996 176.000 -0.228 0.000 0.980 210 Q CA 1.453 57.137 55.803 -0.197 0.000 0.840 210 Q CB -0.412 28.258 28.738 -0.113 0.000 0.898 210 Q HN 0.557 nan 8.270 nan 0.000 0.424 211 L N 0.659 121.767 121.223 -0.191 0.000 2.012 211 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 211 L C 2.444 178.955 176.870 -0.598 0.000 1.073 211 L CA 2.073 56.735 54.840 -0.296 0.000 0.748 211 L CB -0.890 41.070 42.059 -0.165 0.000 0.891 211 L HN 0.135 nan 8.230 nan 0.000 0.431 212 S N -1.395 114.033 115.700 -0.452 0.000 2.365 212 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 212 S C 1.994 176.396 174.600 -0.330 0.000 1.039 212 S CA 1.738 59.707 58.200 -0.384 0.000 1.033 212 S CB -0.488 62.987 63.200 0.459 0.000 0.887 212 S HN 0.321 nan 8.310 nan 0.000 0.447 213 V N 1.641 121.339 119.914 -0.359 0.000 2.295 213 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 213 V C 2.482 178.387 176.094 -0.315 0.000 1.049 213 V CA 2.264 64.317 62.300 -0.412 0.000 1.024 213 V CB -0.827 30.708 31.823 -0.480 0.000 0.648 213 V HN 0.551 nan 8.190 nan 0.000 0.447 214 E N -0.384 119.616 120.200 -0.332 0.000 2.110 214 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 214 E C 2.074 178.491 176.600 -0.305 0.000 0.988 214 E CA 1.108 57.343 56.400 -0.275 0.000 0.804 214 E CB -0.056 29.496 29.700 -0.247 0.000 0.745 214 E HN 0.315 nan 8.360 nan 0.000 0.458 215 K N -1.003 119.089 120.400 -0.512 0.000 2.379 215 K HA 0.106 4.426 4.320 -0.000 0.000 0.194 215 K C 0.656 177.029 176.600 -0.378 0.000 1.031 215 K CA 0.625 56.581 56.287 -0.552 0.000 1.037 215 K CB 0.855 32.705 32.500 -1.083 0.000 0.824 215 K HN 0.205 nan 8.250 nan 0.000 0.516 216 G N 0.594 109.217 108.800 -0.295 0.000 2.182 216 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.248 216 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.248 216 G C -0.588 174.415 174.900 0.173 0.000 1.042 216 G CA -0.203 44.878 45.100 -0.033 0.000 0.775 216 G HN 0.044 nan 8.290 nan 0.000 0.501 217 W N -0.763 120.618 121.300 0.135 0.000 2.251 217 W HA 0.666 5.326 4.660 -0.000 0.000 0.329 217 W C 0.341 176.987 176.519 0.212 0.000 1.234 217 W CA -1.870 55.565 57.345 0.151 0.000 1.228 217 W CB 0.548 30.098 29.460 0.150 0.000 1.135 217 W HN 0.185 nan 8.180 nan 0.000 0.576 218 L N 6.112 127.575 121.223 0.401 0.000 2.283 218 L HA 0.384 4.724 4.340 -0.000 0.000 0.287 218 L C -2.254 174.794 176.870 0.297 0.000 1.073 218 L CA -1.871 53.156 54.840 0.313 0.000 0.822 218 L CB 0.207 42.403 42.059 0.229 0.000 1.186 218 L HN 0.007 nan 8.230 nan 0.000 0.436 219 P HA 0.215 nan 4.420 nan 0.000 0.276 219 P C -1.168 176.274 177.300 0.238 0.000 1.235 219 P CA -0.061 63.233 63.100 0.323 0.000 0.772 219 P CB 0.837 32.784 31.700 0.413 0.000 0.871 220 L N 4.698 125.989 121.223 0.113 0.000 2.342 220 L HA 0.510 4.850 4.340 -0.000 0.000 0.276 220 L C -1.175 175.724 176.870 0.047 0.000 0.997 220 L CA -0.835 54.080 54.840 0.124 0.000 0.838 220 L CB 0.358 42.451 42.059 0.057 0.000 1.224 220 L HN 0.171 nan 8.230 nan 0.000 0.416 221 F N 3.171 123.157 119.950 0.059 0.000 2.411 221 F HA 0.264 4.791 4.527 -0.000 0.000 0.350 221 F C 0.512 176.343 175.800 0.051 0.000 1.114 221 F CA -0.254 57.764 58.000 0.030 0.000 1.135 221 F CB 1.017 39.958 39.000 -0.099 0.000 1.120 221 F HN 0.402 nan 8.300 nan 0.000 0.495 222 D N 4.229 124.712 120.400 0.138 0.000 2.359 222 D HA 0.119 4.759 4.640 -0.000 0.000 0.230 222 D C -1.333 175.098 176.300 0.217 0.000 1.118 222 D CA -0.115 53.942 54.000 0.096 0.000 0.844 222 D CB 0.474 41.229 40.800 -0.074 0.000 1.059 222 D HN 0.238 nan 8.370 nan 0.000 0.493 223 F N 3.816 123.771 119.950 0.008 0.000 2.550 223 F HA 0.474 5.001 4.527 -0.000 0.000 0.348 223 F C 0.235 175.979 175.800 -0.093 0.000 1.219 223 F CA -1.286 56.724 58.000 0.018 0.000 1.203 223 F CB 0.662 39.661 39.000 -0.002 0.000 1.436 223 F HN 0.432 nan 8.300 nan 0.000 0.541 224 A N 2.408 125.190 122.820 -0.063 0.000 2.303 224 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 224 A C 0.017 177.255 177.584 -0.577 0.000 1.205 224 A CA 0.413 52.203 52.037 -0.411 0.000 0.875 224 A CB -0.315 18.341 19.000 -0.575 0.000 0.910 224 A HN 0.502 nan 8.150 nan 0.000 0.501 225 Y N -0.075 120.200 120.300 -0.042 0.000 2.716 225 Y HA 0.282 4.832 4.550 -0.000 0.000 0.260 225 Y C 0.646 176.608 175.900 0.104 0.000 1.141 225 Y CA -0.751 57.417 58.100 0.114 0.000 1.168 225 Y CB 0.011 38.560 38.460 0.148 0.000 1.189 225 Y HN 0.393 nan 8.280 nan 0.000 0.549 226 Q N 0.824 120.481 119.800 -0.239 0.000 2.255 226 Q HA 0.325 4.665 4.340 -0.000 0.000 0.280 226 Q C 1.154 177.107 176.000 -0.079 0.000 1.068 226 Q CA 1.479 57.083 55.803 -0.333 0.000 0.911 226 Q CB 0.150 28.373 28.738 -0.858 0.000 1.157 226 Q HN 0.765 nan 8.270 nan 0.000 0.380 227 G N 3.331 112.115 108.800 -0.027 0.000 2.218 227 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 227 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 227 G C 0.213 174.952 174.900 -0.267 0.000 0.994 227 G CA 0.073 45.054 45.100 -0.197 0.000 0.637 227 G HN 0.663 nan 8.290 nan 0.000 0.505 228 F N 1.306 121.280 119.950 0.040 0.000 2.754 228 F HA 0.540 5.066 4.527 -0.000 0.000 0.297 228 F C 2.546 178.378 175.800 0.053 0.000 1.122 228 F CA 1.218 59.246 58.000 0.046 0.000 1.400 228 F CB 0.289 39.356 39.000 0.112 0.000 1.117 228 F HN 0.354 nan 8.300 nan 0.000 0.587 229 A N 0.437 123.398 122.820 0.236 0.000 1.864 229 A HA 0.104 4.424 4.320 -0.000 0.000 0.213 229 A C 2.074 179.731 177.584 0.122 0.000 1.266 229 A CA 0.911 53.061 52.037 0.190 0.000 0.612 229 A CB -0.131 19.008 19.000 0.232 0.000 0.940 229 A HN 0.230 nan 8.150 nan 0.000 0.463 230 R N -2.338 118.222 120.500 0.100 0.000 2.350 230 R HA 0.400 4.740 4.340 -0.000 0.000 0.199 230 R C 0.579 176.881 176.300 0.002 0.000 0.876 230 R CA 0.614 56.746 56.100 0.054 0.000 1.062 230 R CB 1.149 31.492 30.300 0.072 0.000 1.263 230 R HN 0.631 nan 8.270 nan 0.000 0.641 234 E N 1.441 121.659 120.200 0.030 0.000 2.072 234 E HA -0.129 4.220 4.350 -0.000 0.000 0.190 234 E C 1.601 178.234 176.600 0.055 0.000 0.982 234 E CA 1.359 57.784 56.400 0.042 0.000 0.803 234 E CB 0.084 29.798 29.700 0.024 0.000 0.755 234 E HN 0.504 nan 8.360 nan 0.000 0.453 235 E N 0.910 121.143 120.200 0.054 0.000 2.110 235 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 235 E C 1.454 178.119 176.600 0.108 0.000 0.988 235 E CA 1.096 57.538 56.400 0.071 0.000 0.804 235 E CB -0.029 29.711 29.700 0.067 0.000 0.745 235 E HN 0.155 nan 8.360 nan 0.000 0.458 236 D N 0.143 120.634 120.400 0.151 0.000 2.264 236 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 236 D C 1.336 177.783 176.300 0.244 0.000 0.966 236 D CA 0.849 55.000 54.000 0.253 0.000 0.864 236 D CB 0.020 41.012 40.800 0.320 0.000 0.933 236 D HN 0.167 nan 8.370 nan 0.000 0.499 237 A N 0.135 123.055 122.820 0.167 0.000 2.275 237 A HA 0.048 4.368 4.320 -0.000 0.000 0.212 237 A C 1.777 179.244 177.584 -0.194 0.000 1.201 237 A CA 0.016 52.038 52.037 -0.025 0.000 0.843 237 A CB -0.111 18.947 19.000 0.098 0.000 0.873 237 A HN 0.062 nan 8.150 nan 0.000 0.492 238 E N 0.095 120.224 120.200 -0.117 0.000 2.058 238 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 238 E C 2.122 178.544 176.600 -0.295 0.000 0.997 238 E CA 1.147 57.474 56.400 -0.122 0.000 0.801 238 E CB -0.256 29.442 29.700 -0.003 0.000 0.746 238 E HN 0.610 nan 8.360 nan 0.000 0.450 239 G N 1.449 109.857 108.800 -0.652 0.000 2.433 239 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 239 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 239 G C 1.548 175.850 174.900 -0.997 0.000 1.186 239 G CA 0.812 45.043 45.100 -1.449 0.000 0.779 239 G HN 0.188 nan 8.290 nan 0.000 0.543 240 L N 0.695 121.241 121.223 -1.128 0.000 2.043 240 L HA -0.039 4.301 4.340 -0.000 0.000 0.212 240 L C 2.835 179.393 176.870 -0.519 0.000 1.075 240 L CA 1.915 56.015 54.840 -1.234 0.000 0.752 240 L CB -0.527 40.775 42.059 -1.263 0.000 0.891 240 L HN 0.166 nan 8.230 nan 0.000 0.432 241 R N -0.676 119.638 120.500 -0.309 0.000 2.115 241 R HA -0.037 4.303 4.340 -0.000 0.000 0.230 241 R C 2.287 178.561 176.300 -0.044 0.000 1.111 241 R CA 1.055 57.100 56.100 -0.091 0.000 0.976 241 R CB -0.587 29.688 30.300 -0.042 0.000 0.870 241 R HN 0.550 nan 8.270 nan 0.000 0.445 242 A N 0.734 123.527 122.820 -0.046 0.000 1.908 242 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 242 A C 1.853 179.494 177.584 0.094 0.000 1.181 242 A CA 1.272 53.336 52.037 0.044 0.000 0.627 242 A CB -0.590 18.479 19.000 0.114 0.000 0.818 242 A HN 0.198 nan 8.150 nan 0.000 0.445 243 F N 0.095 120.010 119.950 -0.058 0.000 2.113 243 F HA -0.070 4.457 4.527 -0.000 0.000 0.297 243 F C 2.807 178.661 175.800 0.091 0.000 1.103 243 F CA 1.051 59.094 58.000 0.071 0.000 1.248 243 F CB -0.585 38.417 39.000 0.004 0.000 0.999 243 F HN 0.252 nan 8.300 nan 0.000 0.475 244 A N -0.267 122.627 122.820 0.123 0.000 1.978 244 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 244 A C 2.330 179.914 177.584 0.001 0.000 1.170 244 A CA 1.675 53.725 52.037 0.021 0.000 0.636 244 A CB -1.236 17.710 19.000 -0.089 0.000 0.810 244 A HN 0.317 nan 8.150 nan 0.000 0.448 245 A N -1.607 121.218 122.820 0.008 0.000 2.014 245 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 245 A C 2.016 179.586 177.584 -0.024 0.000 1.163 245 A CA 1.570 53.595 52.037 -0.019 0.000 0.652 245 A CB -0.258 18.731 19.000 -0.019 0.000 0.808 245 A HN 0.424 nan 8.150 nan 0.000 0.449 246 M N -1.211 118.389 119.600 0.000 0.000 2.514 246 M HA 0.189 4.669 4.480 -0.000 0.000 0.258 246 M C -0.177 176.026 176.300 -0.163 0.000 1.159 246 M CA 0.574 55.816 55.300 -0.097 0.000 1.116 246 M CB -0.581 31.914 32.600 -0.175 0.000 1.333 246 M HN 0.384 nan 8.290 nan 0.000 0.487 247 H N -0.128 118.923 119.070 -0.032 0.000 2.472 247 H HA 0.291 4.847 4.556 -0.000 0.000 0.338 247 H C 0.773 176.104 175.328 0.006 0.000 1.133 247 H CA -0.137 55.918 56.048 0.012 0.000 1.216 247 H CB 1.641 31.465 29.762 0.102 0.000 1.497 247 H HN -0.080 nan 8.280 nan 0.000 0.500 248 K N 1.081 121.551 120.400 0.116 0.000 2.103 248 K HA 0.003 4.323 4.320 -0.000 0.000 0.204 248 K C -0.279 176.387 176.600 0.110 0.000 1.052 248 K CA 1.091 57.425 56.287 0.078 0.000 0.945 248 K CB 0.364 32.898 32.500 0.056 0.000 0.722 248 K HN 0.620 nan 8.250 nan 0.000 0.443 249 E N 0.337 120.646 120.200 0.182 0.000 2.293 249 E HA 0.428 4.778 4.350 -0.000 0.000 0.270 249 E C -1.334 175.390 176.600 0.208 0.000 0.879 249 E CA -0.733 55.773 56.400 0.177 0.000 0.756 249 E CB 1.991 31.800 29.700 0.182 0.000 1.208 249 E HN -0.041 nan 8.360 nan 0.000 0.428 250 L N -1.143 120.189 121.223 0.180 0.000 2.940 250 L HA 0.654 4.994 4.340 -0.000 0.000 0.270 250 L C -1.608 175.385 176.870 0.205 0.000 1.030 250 L CA -0.817 54.145 54.840 0.203 0.000 0.928 250 L CB 0.985 43.165 42.059 0.201 0.000 1.506 250 L HN 0.528 nan 8.230 nan 0.000 0.405 251 I N 0.694 121.404 120.570 0.233 0.000 2.608 251 I HA 0.731 4.901 4.170 -0.000 0.000 0.295 251 I C -1.067 175.194 176.117 0.240 0.000 1.049 251 I CA -1.116 60.313 61.300 0.216 0.000 1.063 251 I CB 2.352 40.482 38.000 0.216 0.000 1.248 251 I HN 0.416 nan 8.210 nan 0.000 0.424 252 V N 4.450 124.485 119.914 0.201 0.000 2.448 252 V HA 0.630 4.749 4.120 -0.000 0.000 0.295 252 V C 0.077 176.264 176.094 0.156 0.000 1.025 252 V CA -0.655 61.756 62.300 0.185 0.000 0.859 252 V CB 1.594 33.476 31.823 0.098 0.000 0.988 252 V HN 0.805 nan 8.190 nan 0.000 0.431 253 A N 3.923 126.843 122.820 0.168 0.000 2.341 253 A HA 0.762 5.082 4.320 -0.000 0.000 0.326 253 A C 0.337 177.971 177.584 0.085 0.000 1.402 253 A CA -0.273 51.842 52.037 0.129 0.000 0.957 253 A CB 0.390 19.482 19.000 0.153 0.000 1.151 253 A HN 1.005 nan 8.150 nan 0.000 0.533 254 S N 1.436 117.143 115.700 0.011 0.000 2.704 254 S HA 0.866 5.336 4.470 -0.000 0.000 0.305 254 S C -0.120 174.333 174.600 -0.245 0.000 1.107 254 S CA -0.481 57.651 58.200 -0.114 0.000 0.993 254 S CB 1.793 64.880 63.200 -0.188 0.000 1.110 254 S HN 1.126 nan 8.310 nan 0.000 0.534 255 S N -0.318 115.133 115.700 -0.416 0.000 2.541 255 S HA 0.592 5.062 4.470 -0.000 0.000 0.280 255 S C -1.455 172.824 174.600 -0.536 0.000 1.112 255 S CA -0.608 57.370 58.200 -0.371 0.000 0.925 255 S CB 0.817 63.861 63.200 -0.261 0.000 1.067 255 S HN 0.682 nan 8.310 nan 0.000 0.479 256 Y N 1.739 122.003 120.300 -0.061 0.000 2.507 256 Y HA 0.396 4.945 4.550 -0.000 0.000 0.254 256 Y C 1.508 177.383 175.900 -0.041 0.000 1.171 256 Y CA -0.349 57.745 58.100 -0.010 0.000 1.238 256 Y CB 0.064 38.441 38.460 -0.138 0.000 1.148 256 Y HN 0.465 nan 8.280 nan 0.000 0.525 260 F N 1.792 121.852 119.950 0.183 0.000 2.682 260 F HA 0.468 4.995 4.527 -0.000 0.000 0.308 260 F C 1.602 177.400 175.800 -0.003 0.000 1.093 260 F CA 0.729 58.801 58.000 0.121 0.000 1.244 260 F CB 1.160 40.131 39.000 -0.049 0.000 1.052 260 F HN 0.234 nan 8.300 nan 0.000 0.573 261 G N 1.411 110.204 108.800 -0.011 0.000 2.273 261 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 261 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 261 G C 0.486 175.292 174.900 -0.157 0.000 1.047 261 G CA 0.304 45.310 45.100 -0.156 0.000 0.869 261 G HN 0.424 nan 8.290 nan 0.000 0.502 262 L N -0.502 120.572 121.223 -0.248 0.000 3.017 262 L HA 0.279 4.619 4.340 -0.000 0.000 0.255 262 L C 2.159 179.003 176.870 -0.043 0.000 1.247 262 L CA -0.737 54.068 54.840 -0.059 0.000 1.038 262 L CB -0.252 41.797 42.059 -0.016 0.000 1.380 262 L HN 0.347 nan 8.230 nan 0.000 0.548 263 Y N 0.707 121.045 120.300 0.064 0.000 1.997 263 Y HA -0.441 4.109 4.550 -0.000 0.000 0.265 263 Y C 2.365 178.277 175.900 0.021 0.000 1.193 263 Y CA 2.394 60.515 58.100 0.035 0.000 1.106 263 Y CB -0.897 37.575 38.460 0.020 0.000 0.940 263 Y HN 0.521 nan 8.280 nan 0.000 0.494 264 N N -0.549 118.273 118.700 0.205 0.000 2.521 264 N HA -0.102 4.638 4.740 -0.000 0.000 0.188 264 N C 0.913 176.458 175.510 0.058 0.000 1.146 264 N CA 0.621 53.734 53.050 0.105 0.000 0.893 264 N CB -0.050 38.484 38.487 0.078 0.000 0.975 264 N HN 0.372 nan 8.380 nan 0.000 0.451 265 E N 0.883 121.117 120.200 0.057 0.000 2.478 265 E HA 0.014 4.364 4.350 -0.000 0.000 0.194 265 E C -0.165 176.429 176.600 -0.011 0.000 1.045 265 E CA 0.024 56.444 56.400 0.032 0.000 0.868 265 E CB 0.152 29.887 29.700 0.059 0.000 0.885 265 E HN 0.270 nan 8.360 nan 0.000 0.505 266 R N -0.212 120.284 120.500 -0.006 0.000 2.873 266 R HA -0.113 4.227 4.340 -0.000 0.000 0.281 266 R C -0.841 175.427 176.300 -0.053 0.000 0.933 266 R CA 0.198 56.280 56.100 -0.030 0.000 0.712 266 R CB -3.052 27.210 30.300 -0.063 0.000 1.780 266 R HN -0.082 nan 8.270 nan 0.000 0.488 267 V N 0.646 120.554 119.914 -0.010 0.000 2.349 267 V HA 0.858 4.978 4.120 -0.000 0.000 0.284 267 V C 1.037 177.236 176.094 0.175 0.000 1.014 267 V CA 0.077 62.398 62.300 0.035 0.000 0.826 267 V CB 1.983 33.823 31.823 0.029 0.000 1.009 267 V HN 0.766 nan 8.190 nan 0.000 0.431 268 G N 2.856 111.772 108.800 0.193 0.000 2.782 268 G HA2 0.934 4.894 3.960 -0.000 0.000 0.304 268 G HA3 0.934 4.894 3.960 -0.000 0.000 0.304 268 G C -1.445 173.630 174.900 0.292 0.000 1.315 268 G CA -0.165 45.040 45.100 0.175 0.000 0.791 268 G HN 1.158 nan 8.290 nan 0.000 0.519 269 A N -1.678 121.245 122.820 0.171 0.000 2.566 269 A HA 0.589 4.908 4.320 -0.000 0.000 0.297 269 A C -1.219 176.451 177.584 0.145 0.000 1.059 269 A CA -0.297 51.874 52.037 0.224 0.000 0.691 269 A CB 1.304 20.434 19.000 0.218 0.000 1.282 269 A HN 1.709 nan 8.150 nan 0.000 0.401 270 C N 2.081 121.488 119.300 0.178 0.000 2.264 270 C HA 0.783 5.243 4.460 -0.000 0.000 0.324 270 C C 0.172 175.258 174.990 0.161 0.000 1.267 270 C CA 0.138 59.255 59.018 0.164 0.000 1.618 270 C CB -0.563 27.282 27.740 0.175 0.000 2.278 270 C HN 0.784 nan 8.230 nan 0.000 0.499 271 T N 6.698 121.326 114.554 0.124 0.000 2.779 271 T HA 0.474 4.824 4.350 -0.000 0.000 0.280 271 T C -0.670 174.097 174.700 0.112 0.000 0.987 271 T CA -0.220 61.941 62.100 0.103 0.000 0.966 271 T CB 1.112 70.037 68.868 0.096 0.000 0.933 271 T HN 0.598 nan 8.240 nan 0.000 0.442 272 L N 5.448 126.701 121.223 0.050 0.000 2.307 272 L HA 0.745 5.085 4.340 -0.000 0.000 0.284 272 L C -1.038 175.848 176.870 0.027 0.000 1.023 272 L CA -0.440 54.423 54.840 0.038 0.000 0.810 272 L CB 1.263 43.319 42.059 -0.005 0.000 1.231 272 L HN 0.417 nan 8.230 nan 0.000 0.423 273 V N 4.996 124.948 119.914 0.064 0.000 2.540 273 V HA 0.946 5.066 4.120 -0.000 0.000 0.302 273 V C 0.051 176.177 176.094 0.053 0.000 1.035 273 V CA -0.076 62.237 62.300 0.022 0.000 0.873 273 V CB 1.131 32.948 31.823 -0.010 0.000 0.992 273 V HN 1.032 nan 8.190 nan 0.000 0.428 274 A N 3.151 125.988 122.820 0.030 0.000 2.475 274 A HA 0.928 5.247 4.320 -0.000 0.000 0.281 274 A C 1.091 178.691 177.584 0.025 0.000 1.263 274 A CA 0.093 52.163 52.037 0.055 0.000 0.776 274 A CB 1.177 20.222 19.000 0.076 0.000 1.347 274 A HN 1.150 nan 8.150 nan 0.000 0.443 275 A N -0.586 122.255 122.820 0.036 0.000 1.933 275 A HA 0.246 4.566 4.320 -0.000 0.000 0.218 275 A C 0.557 178.142 177.584 0.001 0.000 1.175 275 A CA 2.358 54.405 52.037 0.018 0.000 0.628 275 A CB -0.717 18.297 19.000 0.024 0.000 0.814 275 A HN 1.048 nan 8.150 nan 0.000 0.444 276 D N -4.585 115.819 120.400 0.007 0.000 2.626 276 D HA 0.357 4.996 4.640 -0.000 0.000 0.278 276 D C 0.503 176.805 176.300 0.003 0.000 1.211 276 D CA 0.105 54.105 54.000 -0.001 0.000 0.903 276 D CB 0.534 41.336 40.800 0.004 0.000 1.408 276 D HN -0.152 nan 8.370 nan 0.000 0.454 277 S N -0.935 114.764 115.700 -0.003 0.000 2.370 277 S HA -0.235 4.235 4.470 -0.000 0.000 0.226 277 S C 1.468 176.079 174.600 0.018 0.000 1.033 277 S CA 1.755 59.955 58.200 -0.001 0.000 1.011 277 S CB -0.443 62.755 63.200 -0.004 0.000 0.852 277 S HN 0.511 nan 8.310 nan 0.000 0.457 278 E N 0.329 120.542 120.200 0.023 0.000 2.051 278 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 278 E C 1.974 178.603 176.600 0.050 0.000 0.991 278 E CA 1.750 58.170 56.400 0.034 0.000 0.799 278 E CB -0.701 29.016 29.700 0.029 0.000 0.748 278 E HN 0.569 nan 8.360 nan 0.000 0.449 279 T N 0.855 115.439 114.554 0.050 0.000 2.737 279 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 279 T C 1.931 176.685 174.700 0.090 0.000 1.038 279 T CA 1.234 63.376 62.100 0.070 0.000 1.144 279 T CB -0.378 68.530 68.868 0.065 0.000 0.866 279 T HN 0.046 nan 8.240 nan 0.000 0.434 280 V N 1.853 121.808 119.914 0.068 0.000 2.427 280 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 280 V C 1.993 178.153 176.094 0.110 0.000 1.051 280 V CA 1.922 64.264 62.300 0.071 0.000 1.048 280 V CB -0.504 31.323 31.823 0.007 0.000 0.666 280 V HN 0.379 nan 8.190 nan 0.000 0.456 281 D N -0.446 120.010 120.400 0.093 0.000 2.117 281 D HA -0.162 4.477 4.640 -0.000 0.000 0.197 281 D C 2.284 178.681 176.300 0.163 0.000 0.987 281 D CA 1.355 55.435 54.000 0.133 0.000 0.829 281 D CB -0.270 40.583 40.800 0.088 0.000 0.961 281 D HN 0.379 nan 8.370 nan 0.000 0.460 282 R N 0.406 120.983 120.500 0.128 0.000 2.066 282 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 282 R C 2.162 178.560 176.300 0.164 0.000 1.131 282 R CA 1.383 57.556 56.100 0.123 0.000 0.955 282 R CB -0.160 30.199 30.300 0.098 0.000 0.851 282 R HN 0.112 nan 8.270 nan 0.000 0.432 283 A N 0.148 123.090 122.820 0.204 0.000 1.902 283 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 283 A C 1.962 179.712 177.584 0.277 0.000 1.181 283 A CA 1.223 53.443 52.037 0.305 0.000 0.623 283 A CB -0.739 18.466 19.000 0.343 0.000 0.818 283 A HN 0.483 nan 8.150 nan 0.000 0.443 284 F N 1.851 121.818 119.950 0.028 0.000 2.293 284 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 284 F C 2.706 178.510 175.800 0.007 0.000 1.086 284 F CA 1.442 59.414 58.000 -0.046 0.000 1.375 284 F CB -0.284 38.696 39.000 -0.033 0.000 1.045 284 F HN 0.340 nan 8.300 nan 0.000 0.516 285 S N -0.590 115.143 115.700 0.056 0.000 2.382 285 S HA -0.221 4.249 4.470 -0.000 0.000 0.228 285 S C 1.862 176.436 174.600 -0.043 0.000 1.027 285 S CA 1.104 59.286 58.200 -0.029 0.000 0.991 285 S CB -0.559 62.664 63.200 0.039 0.000 0.823 285 S HN 0.475 nan 8.310 nan 0.000 0.469 286 Q N 0.391 120.231 119.800 0.067 0.000 2.245 286 Q HA 0.144 4.484 4.340 -0.000 0.000 0.201 286 Q C 2.107 178.200 176.000 0.156 0.000 0.955 286 Q CA 1.042 56.926 55.803 0.134 0.000 0.870 286 Q CB -0.415 28.467 28.738 0.239 0.000 0.945 286 Q HN 0.745 nan 8.270 nan 0.000 0.461 287 M N 0.714 120.334 119.600 0.034 0.000 2.117 287 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 287 M C 1.752 177.896 176.300 -0.261 0.000 1.065 287 M CA 1.515 56.722 55.300 -0.156 0.000 1.114 287 M CB 0.099 32.412 32.600 -0.479 0.000 1.361 287 M HN -0.035 nan 8.290 nan 0.000 0.408 288 K N 0.201 120.338 120.400 -0.438 0.000 2.097 288 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 288 K C 2.015 178.494 176.600 -0.202 0.000 1.049 288 K CA 1.412 57.479 56.287 -0.366 0.000 0.933 288 K CB -0.348 31.917 32.500 -0.392 0.000 0.717 288 K HN 0.465 nan 8.250 nan 0.000 0.442 289 A N 1.649 124.391 122.820 -0.130 0.000 1.908 289 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 289 A C 2.377 179.917 177.584 -0.074 0.000 1.181 289 A CA 1.917 53.905 52.037 -0.081 0.000 0.627 289 A CB -0.619 18.361 19.000 -0.033 0.000 0.818 289 A HN 0.345 nan 8.150 nan 0.000 0.445 290 A N -0.409 122.386 122.820 -0.041 0.000 1.969 290 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 290 A C 2.072 179.592 177.584 -0.106 0.000 1.169 290 A CA 1.427 53.452 52.037 -0.021 0.000 0.635 290 A CB -0.525 18.520 19.000 0.075 0.000 0.810 290 A HN 0.509 nan 8.150 nan 0.000 0.445 291 I N -1.171 119.288 120.570 -0.184 0.000 2.286 291 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 291 I C 2.661 178.530 176.117 -0.413 0.000 1.104 291 I CA 1.025 62.095 61.300 -0.384 0.000 1.397 291 I CB -0.297 37.487 38.000 -0.361 0.000 1.072 291 I HN 0.282 nan 8.210 nan 0.000 0.417 292 R N 1.198 121.543 120.500 -0.259 0.000 2.117 292 R HA -0.216 4.124 4.340 -0.000 0.000 0.243 292 R C 1.032 177.231 176.300 -0.169 0.000 1.143 292 R CA 1.909 57.888 56.100 -0.202 0.000 0.968 292 R CB -0.470 29.744 30.300 -0.143 0.000 0.863 292 R HN 0.326 nan 8.270 nan 0.000 0.444 293 D N -0.147 120.169 120.400 -0.140 0.000 2.349 293 D HA -0.035 4.605 4.640 -0.000 0.000 0.224 293 D C 0.904 177.152 176.300 -0.087 0.000 1.029 293 D CA 0.315 54.261 54.000 -0.090 0.000 0.879 293 D CB 0.052 40.819 40.800 -0.056 0.000 0.906 293 D HN 0.239 nan 8.370 nan 0.000 0.528 294 N N 0.052 118.658 118.700 -0.156 0.000 2.683 294 N HA -0.066 4.674 4.740 -0.000 0.000 0.220 294 N C 0.758 176.220 175.510 -0.080 0.000 1.163 294 N CA 0.334 53.320 53.050 -0.107 0.000 1.149 294 N CB -0.087 38.334 38.487 -0.110 0.000 1.495 294 N HN 0.093 nan 8.380 nan 0.000 0.550 295 Y N -1.004 119.295 120.300 -0.002 0.000 2.531 295 Y HA 0.556 5.105 4.550 -0.000 0.000 0.249 295 Y C 1.342 177.239 175.900 -0.005 0.000 1.168 295 Y CA 0.436 58.537 58.100 0.001 0.000 1.226 295 Y CB -0.078 38.386 38.460 0.007 0.000 1.177 295 Y HN 0.262 nan 8.280 nan 0.000 0.527 296 S N 0.600 116.112 115.700 -0.312 0.000 1.476 296 S HA -0.267 4.203 4.470 -0.000 0.000 0.242 296 S C 0.371 174.892 174.600 -0.131 0.000 0.711 296 S CA 1.700 59.784 58.200 -0.193 0.000 1.268 296 S CB -1.851 61.286 63.200 -0.105 0.000 1.523 296 S HN 1.375 nan 8.310 nan 0.000 0.510 297 S N 1.526 117.281 115.700 0.091 0.000 2.547 297 S HA 0.759 5.229 4.470 -0.000 0.000 0.270 297 S C -3.392 171.413 174.600 0.341 0.000 1.150 297 S CA -0.703 57.606 58.200 0.182 0.000 0.850 297 S CB 2.486 65.758 63.200 0.120 0.000 1.118 297 S HN 0.548 nan 8.310 nan 0.000 0.461 298 P HA 0.506 nan 4.420 nan 0.000 0.279 298 P C -2.856 174.444 177.300 -0.001 0.000 1.252 298 P CA -1.800 61.356 63.100 0.093 0.000 0.811 298 P CB -0.348 31.373 31.700 0.034 0.000 1.035 299 P HA 0.130 nan 4.420 nan 0.000 0.276 299 P C 0.346 177.589 177.300 -0.094 0.000 1.235 299 P CA -0.063 62.999 63.100 -0.063 0.000 0.772 299 P CB 0.721 32.376 31.700 -0.075 0.000 0.871 300 A N 3.144 125.929 122.820 -0.058 0.000 1.897 300 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 300 A C 2.154 179.686 177.584 -0.088 0.000 1.181 300 A CA 1.619 53.606 52.037 -0.083 0.000 0.620 300 A CB -1.596 17.377 19.000 -0.045 0.000 0.821 300 A HN 0.682 nan 8.150 nan 0.000 0.443 301 H N -0.250 118.753 119.070 -0.113 0.000 2.267 301 H HA -0.071 4.485 4.556 -0.000 0.000 0.297 301 H C 2.186 177.440 175.328 -0.124 0.000 1.080 301 H CA 2.378 58.368 56.048 -0.098 0.000 1.278 301 H CB -0.561 29.158 29.762 -0.072 0.000 1.365 301 H HN 0.334 nan 8.280 nan 0.000 0.489 302 G N -0.249 108.481 108.800 -0.116 0.000 2.421 302 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 302 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 302 G C 1.899 176.611 174.900 -0.314 0.000 1.171 302 G CA 1.008 45.990 45.100 -0.197 0.000 0.775 302 G HN 0.633 nan 8.290 nan 0.000 0.543 303 A N 0.724 123.324 122.820 -0.367 0.000 1.930 303 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 303 A C 2.696 180.077 177.584 -0.339 0.000 1.175 303 A CA 2.172 53.882 52.037 -0.545 0.000 0.627 303 A CB -0.523 17.874 19.000 -1.004 0.000 0.815 303 A HN 0.315 nan 8.150 nan 0.000 0.443 304 S N -0.288 115.239 115.700 -0.289 0.000 2.368 304 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 304 S C 1.874 176.333 174.600 -0.235 0.000 1.030 304 S CA 1.382 59.458 58.200 -0.207 0.000 0.999 304 S CB -0.524 62.576 63.200 -0.166 0.000 0.844 304 S HN 0.344 nan 8.310 nan 0.000 0.459 305 V N 1.589 121.304 119.914 -0.331 0.000 2.255 305 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 305 V C 2.360 178.226 176.094 -0.379 0.000 1.051 305 V CA 1.577 63.686 62.300 -0.319 0.000 1.018 305 V CB -0.773 30.846 31.823 -0.341 0.000 0.641 305 V HN 0.341 nan 8.190 nan 0.000 0.445 306 V N 0.186 119.764 119.914 -0.560 0.000 2.255 306 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 306 V C 2.713 178.467 176.094 -0.566 0.000 1.051 306 V CA 2.227 63.972 62.300 -0.924 0.000 1.018 306 V CB -1.199 29.896 31.823 -1.213 0.000 0.641 306 V HN 0.578 nan 8.190 nan 0.000 0.445 307 A N -0.516 122.129 122.820 -0.293 0.000 1.908 307 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 307 A C 2.391 179.861 177.584 -0.190 0.000 1.181 307 A CA 2.653 54.578 52.037 -0.187 0.000 0.627 307 A CB -1.091 17.881 19.000 -0.046 0.000 0.818 307 A HN 0.515 nan 8.150 nan 0.000 0.445 308 T N 0.261 114.703 114.554 -0.186 0.000 2.684 308 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 308 T C 1.798 176.381 174.700 -0.196 0.000 1.036 308 T CA 1.675 63.662 62.100 -0.188 0.000 1.148 308 T CB -0.410 68.360 68.868 -0.163 0.000 0.863 308 T HN 0.437 nan 8.240 nan 0.000 0.436 309 I N 0.465 120.919 120.570 -0.194 0.000 2.202 309 I HA -0.086 4.084 4.170 -0.000 0.000 0.242 309 I C 2.227 178.260 176.117 -0.140 0.000 1.091 309 I CA 1.138 62.356 61.300 -0.137 0.000 1.368 309 I CB -0.310 37.639 38.000 -0.084 0.000 1.058 309 I HN 0.176 nan 8.210 nan 0.000 0.410 310 L N 0.286 121.378 121.223 -0.217 0.000 2.201 310 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 310 L C 2.402 179.204 176.870 -0.113 0.000 1.105 310 L CA 1.412 56.145 54.840 -0.179 0.000 0.775 310 L CB -0.502 41.398 42.059 -0.266 0.000 0.913 310 L HN 0.369 nan 8.230 nan 0.000 0.440 311 S N -2.191 113.433 115.700 -0.125 0.000 2.575 311 S HA 0.004 4.474 4.470 -0.000 0.000 0.215 311 S C 0.521 175.068 174.600 -0.089 0.000 0.966 311 S CA -0.449 57.693 58.200 -0.096 0.000 0.911 311 S CB -0.364 62.779 63.200 -0.096 0.000 0.780 311 S HN 0.385 nan 8.310 nan 0.000 0.514 312 N N 0.856 119.499 118.700 -0.095 0.000 2.443 312 N HA 0.321 5.061 4.740 -0.000 0.000 0.269 312 N C -0.066 175.416 175.510 -0.047 0.000 0.985 312 N CA -0.417 52.579 53.050 -0.090 0.000 0.921 312 N CB 1.412 39.815 38.487 -0.140 0.000 1.195 312 N HN -0.180 nan 8.380 nan 0.000 0.492 313 D N 2.358 122.737 120.400 -0.034 0.000 2.116 313 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 313 D C 1.605 177.902 176.300 -0.005 0.000 0.998 313 D CA 1.560 55.553 54.000 -0.013 0.000 0.836 313 D CB -0.235 40.556 40.800 -0.014 0.000 0.951 313 D HN 0.667 nan 8.370 nan 0.000 0.449 314 A N 0.599 123.409 122.820 -0.016 0.000 1.873 314 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 314 A C 2.442 180.028 177.584 0.004 0.000 1.186 314 A CA 0.853 52.885 52.037 -0.009 0.000 0.616 314 A CB -0.782 18.208 19.000 -0.017 0.000 0.823 314 A HN 0.194 nan 8.150 nan 0.000 0.442 315 L N -1.156 120.065 121.223 -0.004 0.000 2.046 315 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 315 L C 2.822 179.747 176.870 0.091 0.000 1.077 315 L CA 1.774 56.627 54.840 0.022 0.000 0.747 315 L CB -0.493 41.553 42.059 -0.021 0.000 0.896 315 L HN 0.469 nan 8.230 nan 0.000 0.432 316 R N 0.242 120.794 120.500 0.087 0.000 2.091 316 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 316 R C 2.340 178.753 176.300 0.187 0.000 1.136 316 R CA 1.497 57.714 56.100 0.196 0.000 0.959 316 R CB -0.214 30.166 30.300 0.132 0.000 0.856 316 R HN 0.351 nan 8.270 nan 0.000 0.437 317 A N 0.901 123.765 122.820 0.072 0.000 1.877 317 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 317 A C 2.141 179.713 177.584 -0.020 0.000 1.186 317 A CA 1.491 53.534 52.037 0.009 0.000 0.620 317 A CB -0.501 18.495 19.000 -0.006 0.000 0.822 317 A HN 0.357 nan 8.150 nan 0.000 0.443 318 I N -2.311 118.267 120.570 0.013 0.000 2.179 318 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 318 I C 2.434 178.537 176.117 -0.023 0.000 1.088 318 I CA 1.750 63.047 61.300 -0.004 0.000 1.357 318 I CB -0.389 37.626 38.000 0.025 0.000 1.051 318 I HN 0.746 nan 8.210 nan 0.000 0.409 319 W N 2.127 123.346 121.300 -0.134 0.000 2.335 319 W HA -0.253 4.407 4.660 -0.000 0.000 0.311 319 W C 2.439 178.797 176.519 -0.269 0.000 1.213 319 W CA 1.912 59.125 57.345 -0.220 0.000 1.274 319 W CB -0.387 28.919 29.460 -0.256 0.000 1.148 319 W HN 0.110 nan 8.180 nan 0.000 0.498 320 E N -0.269 119.537 120.200 -0.657 0.000 2.110 320 E HA -0.338 4.012 4.350 -0.000 0.000 0.193 320 E C 2.128 178.345 176.600 -0.639 0.000 0.988 320 E CA 1.635 57.464 56.400 -0.952 0.000 0.804 320 E CB -0.228 29.163 29.700 -0.514 0.000 0.745 320 E HN 0.287 nan 8.360 nan 0.000 0.458 321 Q N 0.999 120.564 119.800 -0.391 0.000 2.079 321 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 321 Q C 1.612 177.423 176.000 -0.316 0.000 0.974 321 Q CA 1.825 57.455 55.803 -0.288 0.000 0.840 321 Q CB 0.010 28.644 28.738 -0.173 0.000 0.898 321 Q HN 0.330 nan 8.270 nan 0.000 0.430 322 E N -0.470 119.527 120.200 -0.340 0.000 2.118 322 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 322 E C 1.817 178.153 176.600 -0.441 0.000 0.992 322 E CA 1.132 57.346 56.400 -0.310 0.000 0.804 322 E CB -0.197 29.367 29.700 -0.226 0.000 0.741 322 E HN 0.289 nan 8.360 nan 0.000 0.458 323 L N 0.851 121.670 121.223 -0.674 0.000 2.027 323 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 323 L C 2.212 178.717 176.870 -0.609 0.000 1.074 323 L CA 1.902 56.284 54.840 -0.764 0.000 0.745 323 L CB -0.761 40.655 42.059 -1.072 0.000 0.898 323 L HN -0.014 nan 8.230 nan 0.000 0.433 324 T N -0.160 114.095 114.554 -0.497 0.000 2.720 324 T HA -0.183 4.166 4.350 -0.000 0.000 0.268 324 T C 1.472 176.024 174.700 -0.247 0.000 1.037 324 T CA 1.679 63.578 62.100 -0.335 0.000 1.144 324 T CB -0.380 68.329 68.868 -0.266 0.000 0.864 324 T HN 0.406 nan 8.240 nan 0.000 0.444 325 D N 0.818 121.078 120.400 -0.234 0.000 2.117 325 D HA -0.020 4.620 4.640 -0.000 0.000 0.197 325 D C 2.121 178.345 176.300 -0.126 0.000 0.987 325 D CA 0.971 54.886 54.000 -0.142 0.000 0.829 325 D CB -0.311 40.419 40.800 -0.116 0.000 0.961 325 D HN 0.390 nan 8.370 nan 0.000 0.460 326 M N -0.010 119.424 119.600 -0.277 0.000 2.067 326 M HA -0.147 4.333 4.480 -0.000 0.000 0.260 326 M C 2.385 178.658 176.300 -0.045 0.000 1.069 326 M CA 1.210 56.284 55.300 -0.376 0.000 1.117 326 M CB -0.228 31.926 32.600 -0.744 0.000 1.334 326 M HN -0.076 nan 8.290 nan 0.000 0.407 327 R N 0.537 120.962 120.500 -0.126 0.000 2.083 327 R HA -0.200 4.140 4.340 -0.000 0.000 0.237 327 R C 2.091 178.414 176.300 0.040 0.000 1.137 327 R CA 1.924 58.025 56.100 0.002 0.000 0.951 327 R CB -0.186 30.036 30.300 -0.130 0.000 0.851 327 R HN 0.480 nan 8.270 nan 0.000 0.434 328 Q N -0.404 119.390 119.800 -0.010 0.000 2.124 328 Q HA -0.190 4.149 4.340 -0.000 0.000 0.202 328 Q C 2.270 178.303 176.000 0.056 0.000 0.977 328 Q CA 1.504 57.315 55.803 0.013 0.000 0.850 328 Q CB -0.163 28.566 28.738 -0.016 0.000 0.901 328 Q HN 0.315 nan 8.270 nan 0.000 0.429 329 R N 0.740 121.297 120.500 0.096 0.000 2.081 329 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 329 R C 2.159 178.540 176.300 0.135 0.000 1.131 329 R CA 1.123 57.304 56.100 0.135 0.000 0.960 329 R CB -0.178 30.257 30.300 0.225 0.000 0.856 329 R HN 0.248 nan 8.270 nan 0.000 0.436 330 I N 0.891 121.571 120.570 0.184 0.000 2.208 330 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 330 I C 2.392 178.558 176.117 0.083 0.000 1.097 330 I CA 1.490 62.870 61.300 0.134 0.000 1.363 330 I CB -0.301 37.800 38.000 0.168 0.000 1.051 330 I HN 0.301 nan 8.210 nan 0.000 0.413 331 Q N 0.342 120.191 119.800 0.082 0.000 2.124 331 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 331 Q C 2.395 178.428 176.000 0.054 0.000 0.977 331 Q CA 1.237 57.079 55.803 0.064 0.000 0.850 331 Q CB -0.150 28.621 28.738 0.055 0.000 0.901 331 Q HN 0.488 nan 8.270 nan 0.000 0.429 332 R N -0.114 120.417 120.500 0.051 0.000 2.081 332 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 332 R C 2.225 178.550 176.300 0.042 0.000 1.131 332 R CA 1.176 57.301 56.100 0.042 0.000 0.960 332 R CB -0.154 30.169 30.300 0.038 0.000 0.856 332 R HN 0.271 nan 8.270 nan 0.000 0.436 333 M N 0.112 119.735 119.600 0.038 0.000 2.159 333 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 333 M C 2.138 178.472 176.300 0.057 0.000 1.063 333 M CA 1.407 56.721 55.300 0.023 0.000 1.110 333 M CB -0.811 31.776 32.600 -0.023 0.000 1.374 333 M HN 0.101 nan 8.290 nan 0.000 0.411 334 R N 0.031 120.570 120.500 0.064 0.000 2.080 334 R HA -0.237 4.103 4.340 -0.000 0.000 0.236 334 R C 2.315 178.686 176.300 0.119 0.000 1.137 334 R CA 1.972 58.137 56.100 0.107 0.000 0.943 334 R CB -0.157 30.193 30.300 0.083 0.000 0.846 334 R HN 0.243 nan 8.270 nan 0.000 0.431 335 Q N 0.412 120.256 119.800 0.073 0.000 2.084 335 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 335 Q C 1.910 177.938 176.000 0.046 0.000 0.978 335 Q CA 1.497 57.329 55.803 0.048 0.000 0.844 335 Q CB -0.342 28.416 28.738 0.035 0.000 0.898 335 Q HN 0.340 nan 8.270 nan 0.000 0.426 336 L N -0.242 121.017 121.223 0.060 0.000 2.083 336 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 336 L C 1.979 178.902 176.870 0.088 0.000 1.083 336 L CA 1.568 56.441 54.840 0.055 0.000 0.752 336 L CB -0.800 41.287 42.059 0.048 0.000 0.899 336 L HN 0.345 nan 8.230 nan 0.000 0.433 337 F N -0.469 119.439 119.950 -0.070 0.000 2.069 337 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 337 F C 2.275 177.996 175.800 -0.131 0.000 1.113 337 F CA 2.058 59.992 58.000 -0.110 0.000 1.214 337 F CB -0.895 38.035 39.000 -0.117 0.000 0.978 337 F HN -0.075 nan 8.300 nan 0.000 0.474 338 V N 0.960 120.772 119.914 -0.169 0.000 2.332 338 V HA -0.342 3.777 4.120 -0.000 0.000 0.248 338 V C 2.260 178.256 176.094 -0.164 0.000 1.055 338 V CA 2.179 64.326 62.300 -0.256 0.000 1.038 338 V CB -0.888 30.862 31.823 -0.123 0.000 0.651 338 V HN 0.347 nan 8.190 nan 0.000 0.450 339 N N 0.019 118.670 118.700 -0.082 0.000 2.142 339 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 339 N C 1.910 177.380 175.510 -0.066 0.000 1.023 339 N CA 1.937 54.956 53.050 -0.053 0.000 0.852 339 N CB -0.631 37.843 38.487 -0.021 0.000 0.998 339 N HN 0.467 nan 8.380 nan 0.000 0.424 340 T N 1.643 116.152 114.554 -0.076 0.000 2.812 340 T HA 0.086 4.436 4.350 -0.000 0.000 0.264 340 T C 2.135 176.764 174.700 -0.119 0.000 1.042 340 T CA 0.377 62.435 62.100 -0.069 0.000 1.140 340 T CB -0.202 68.651 68.868 -0.026 0.000 0.870 340 T HN 0.101 nan 8.240 nan 0.000 0.445 341 L N 1.470 122.552 121.223 -0.235 0.000 2.013 341 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 341 L C 3.054 179.852 176.870 -0.120 0.000 1.073 341 L CA 1.781 56.455 54.840 -0.277 0.000 0.753 341 L CB -0.767 40.943 42.059 -0.581 0.000 0.890 341 L HN 0.473 nan 8.230 nan 0.000 0.432 342 Q N 0.574 120.324 119.800 -0.084 0.000 2.119 342 Q HA -0.252 4.088 4.340 -0.000 0.000 0.201 342 Q C 1.834 177.819 176.000 -0.025 0.000 0.972 342 Q CA 1.747 57.534 55.803 -0.026 0.000 0.847 342 Q CB -0.516 28.211 28.738 -0.018 0.000 0.903 342 Q HN 0.707 nan 8.270 nan 0.000 0.433 343 E N 0.818 120.996 120.200 -0.036 0.000 2.285 343 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 343 E C 1.356 177.941 176.600 -0.026 0.000 0.997 343 E CA 0.598 56.983 56.400 -0.025 0.000 0.845 343 E CB 0.076 29.762 29.700 -0.023 0.000 0.782 343 E HN 0.114 nan 8.360 nan 0.000 0.491 344 K N 0.214 120.590 120.400 -0.040 0.000 2.487 344 K HA 0.127 4.447 4.320 -0.000 0.000 0.192 344 K C 0.716 177.299 176.600 -0.028 0.000 1.027 344 K CA 0.757 57.020 56.287 -0.039 0.000 1.054 344 K CB 0.406 32.869 32.500 -0.063 0.000 0.824 344 K HN 0.349 nan 8.250 nan 0.000 0.510 345 G N -0.123 108.666 108.800 -0.018 0.000 2.165 345 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.226 345 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.226 345 G C 0.101 175.010 174.900 0.014 0.000 1.035 345 G CA -0.090 45.009 45.100 -0.002 0.000 0.744 345 G HN 0.460 nan 8.290 nan 0.000 0.501 346 A N 0.113 122.949 122.820 0.027 0.000 2.531 346 A HA 0.457 4.777 4.320 -0.000 0.000 0.236 346 A C 1.326 178.964 177.584 0.091 0.000 1.062 346 A CA 0.940 53.034 52.037 0.095 0.000 0.760 346 A CB 0.185 19.308 19.000 0.205 0.000 0.995 346 A HN 1.422 nan 8.150 nan 0.000 0.501 347 N N 1.222 119.974 118.700 0.087 0.000 2.383 347 N HA 0.038 4.777 4.740 -0.000 0.000 0.192 347 N C 0.064 175.570 175.510 -0.007 0.000 1.141 347 N CA 0.220 53.292 53.050 0.036 0.000 0.851 347 N CB 0.135 38.640 38.487 0.030 0.000 0.976 347 N HN 0.616 nan 8.380 nan 0.000 0.465 348 R N -0.428 120.050 120.500 -0.037 0.000 2.744 348 R HA 0.237 4.577 4.340 -0.000 0.000 0.279 348 R C -1.510 174.618 176.300 -0.287 0.000 0.977 348 R CA -0.901 55.047 56.100 -0.254 0.000 0.906 348 R CB 1.296 31.233 30.300 -0.605 0.000 1.197 348 R HN 0.050 nan 8.270 nan 0.000 0.463 349 D N 1.383 121.650 120.400 -0.222 0.000 2.343 349 D HA 0.038 4.678 4.640 -0.000 0.000 0.255 349 D C -0.415 175.739 176.300 -0.244 0.000 1.187 349 D CA 0.096 54.017 54.000 -0.132 0.000 0.875 349 D CB 0.462 41.240 40.800 -0.038 0.000 1.136 349 D HN 0.402 nan 8.370 nan 0.000 0.469 350 F N 1.559 121.426 119.950 -0.140 0.000 2.647 350 F HA 0.088 4.615 4.527 -0.000 0.000 0.300 350 F C 2.278 177.740 175.800 -0.563 0.000 1.106 350 F CA -0.199 57.534 58.000 -0.445 0.000 1.313 350 F CB 0.055 38.759 39.000 -0.493 0.000 1.007 350 F HN 0.397 nan 8.300 nan 0.000 0.536 351 S N 0.278 115.903 115.700 -0.126 0.000 2.440 351 S HA -0.295 4.175 4.470 -0.000 0.000 0.238 351 S C 1.993 176.546 174.600 -0.079 0.000 1.010 351 S CA 1.252 59.404 58.200 -0.079 0.000 0.972 351 S CB -1.381 61.820 63.200 0.003 0.000 0.774 351 S HN 0.563 nan 8.310 nan 0.000 0.501 352 F N 1.511 121.433 119.950 -0.046 0.000 2.307 352 F HA 0.104 4.630 4.527 -0.000 0.000 0.301 352 F C 1.735 177.560 175.800 0.041 0.000 1.076 352 F CA 0.362 58.329 58.000 -0.055 0.000 1.383 352 F CB -0.810 37.989 39.000 -0.334 0.000 1.055 352 F HN 0.141 nan 8.300 nan 0.000 0.526 353 I N 0.726 120.989 120.570 -0.511 0.000 2.394 353 I HA -0.245 3.924 4.170 -0.000 0.000 0.251 353 I C 2.257 178.388 176.117 0.024 0.000 1.136 353 I CA 0.573 61.761 61.300 -0.187 0.000 1.425 353 I CB -0.451 37.409 38.000 -0.234 0.000 1.079 353 I HN 0.177 nan 8.210 nan 0.000 0.425 354 I N 0.935 121.510 120.570 0.008 0.000 2.361 354 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 354 I C 2.160 178.333 176.117 0.093 0.000 1.133 354 I CA 1.565 62.898 61.300 0.054 0.000 1.413 354 I CB -1.125 36.897 38.000 0.038 0.000 1.073 354 I HN 0.189 nan 8.210 nan 0.000 0.424 355 K N 0.634 121.109 120.400 0.124 0.000 2.365 355 K HA -0.026 4.294 4.320 -0.000 0.000 0.199 355 K C 0.733 177.436 176.600 0.172 0.000 1.045 355 K CA 0.276 56.653 56.287 0.149 0.000 0.962 355 K CB -0.224 32.384 32.500 0.179 0.000 0.759 355 K HN 0.460 nan 8.250 nan 0.000 0.469 356 Q N 0.654 120.567 119.800 0.189 0.000 2.293 356 Q HA 0.166 4.506 4.340 -0.000 0.000 0.251 356 Q C -0.727 175.368 176.000 0.158 0.000 0.930 356 Q CA -0.122 55.803 55.803 0.204 0.000 0.893 356 Q CB 0.888 29.773 28.738 0.245 0.000 1.215 356 Q HN 0.194 nan 8.270 nan 0.000 0.425 357 N N 0.490 119.284 118.700 0.157 0.000 2.456 357 N HA 0.566 5.306 4.740 -0.000 0.000 0.288 357 N C -0.107 175.448 175.510 0.076 0.000 1.059 357 N CA 0.134 53.264 53.050 0.134 0.000 0.946 357 N CB 1.385 39.973 38.487 0.168 0.000 1.150 357 N HN 0.777 nan 8.380 nan 0.000 0.479 358 G N 0.854 109.681 108.800 0.046 0.000 2.418 358 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.206 358 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.206 358 G C 0.316 175.103 174.900 -0.188 0.000 1.202 358 G CA -0.514 44.522 45.100 -0.106 0.000 1.061 358 G HN 0.451 nan 8.290 nan 0.000 0.563 359 M N -0.144 119.151 119.600 -0.508 0.000 2.509 359 M HA 0.342 4.821 4.480 -0.000 0.000 0.250 359 M C 0.111 176.097 176.300 -0.524 0.000 1.132 359 M CA 0.869 55.813 55.300 -0.593 0.000 1.080 359 M CB 0.090 32.128 32.600 -0.936 0.000 1.408 359 M HN 0.225 nan 8.290 nan 0.000 0.484 360 F N -0.255 119.660 119.950 -0.057 0.000 2.541 360 F HA 0.410 4.936 4.527 -0.000 0.000 0.331 360 F C 0.585 176.418 175.800 0.055 0.000 1.057 360 F CA -1.432 56.566 58.000 -0.003 0.000 0.975 360 F CB 1.343 40.350 39.000 0.012 0.000 1.246 360 F HN -0.216 nan 8.300 nan 0.000 0.484 361 S N 1.297 117.189 115.700 0.320 0.000 2.519 361 S HA 0.540 5.010 4.470 -0.000 0.000 0.309 361 S C -1.246 173.600 174.600 0.410 0.000 1.100 361 S CA -0.489 57.902 58.200 0.319 0.000 1.059 361 S CB 0.641 64.001 63.200 0.266 0.000 1.008 361 S HN 0.449 nan 8.310 nan 0.000 0.478 362 F N 4.957 125.060 119.950 0.255 0.000 2.406 362 F HA 0.374 4.901 4.527 -0.000 0.000 0.358 362 F C 1.436 177.478 175.800 0.402 0.000 1.161 362 F CA -0.993 57.142 58.000 0.225 0.000 1.185 362 F CB 0.589 39.641 39.000 0.087 0.000 1.421 362 F HN 0.819 nan 8.300 nan 0.000 0.576 363 S N 2.246 118.071 115.700 0.208 0.000 2.496 363 S HA 0.208 4.678 4.470 -0.000 0.000 0.224 363 S C 1.761 176.591 174.600 0.384 0.000 0.996 363 S CA 0.421 58.852 58.200 0.385 0.000 0.927 363 S CB -0.247 63.134 63.200 0.301 0.000 0.774 363 S HN 1.267 nan 8.310 nan 0.000 0.524 364 G N 0.964 109.789 108.800 0.042 0.000 2.176 364 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.253 364 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.253 364 G C -0.015 174.916 174.900 0.051 0.000 0.979 364 G CA 0.173 45.287 45.100 0.024 0.000 0.641 364 G HN 0.539 nan 8.290 nan 0.000 0.530 365 L N 2.208 123.477 121.223 0.077 0.000 2.490 365 L HA 0.366 4.706 4.340 -0.000 0.000 0.274 365 L C 1.755 178.638 176.870 0.021 0.000 1.201 365 L CA 0.506 55.390 54.840 0.073 0.000 0.869 365 L CB 0.418 42.526 42.059 0.082 0.000 1.123 365 L HN 0.449 nan 8.230 nan 0.000 0.484 366 T N -0.647 113.926 114.554 0.031 0.000 2.788 366 T HA 0.137 4.487 4.350 -0.000 0.000 0.287 366 T C 1.078 175.791 174.700 0.021 0.000 1.007 366 T CA -0.562 61.549 62.100 0.019 0.000 1.005 366 T CB 0.900 69.782 68.868 0.023 0.000 1.012 366 T HN 0.758 nan 8.240 nan 0.000 0.530 367 K N 0.382 120.793 120.400 0.019 0.000 2.147 367 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 367 K C 1.599 178.209 176.600 0.017 0.000 1.049 367 K CA 1.653 57.951 56.287 0.019 0.000 0.936 367 K CB -0.249 32.262 32.500 0.018 0.000 0.722 367 K HN 0.609 nan 8.250 nan 0.000 0.446 368 E N 1.279 121.490 120.200 0.019 0.000 2.112 368 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 368 E C 2.154 178.770 176.600 0.027 0.000 0.979 368 E CA 1.142 57.553 56.400 0.018 0.000 0.814 368 E CB -0.023 29.688 29.700 0.018 0.000 0.762 368 E HN 0.403 nan 8.360 nan 0.000 0.460 369 Q N 0.031 119.853 119.800 0.036 0.000 2.096 369 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 369 Q C 2.191 178.218 176.000 0.046 0.000 0.982 369 Q CA 1.444 57.277 55.803 0.050 0.000 0.850 369 Q CB -0.085 28.687 28.738 0.056 0.000 0.901 369 Q HN 0.160 nan 8.270 nan 0.000 0.422 370 V N 0.830 120.763 119.914 0.033 0.000 2.343 370 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 370 V C 2.129 178.219 176.094 -0.007 0.000 1.051 370 V CA 1.466 63.778 62.300 0.020 0.000 1.036 370 V CB -0.511 31.324 31.823 0.020 0.000 0.654 370 V HN 0.325 nan 8.190 nan 0.000 0.451 371 L N 0.396 121.615 121.223 -0.007 0.000 2.017 371 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 371 L C 2.578 179.432 176.870 -0.027 0.000 1.073 371 L CA 2.181 57.004 54.840 -0.029 0.000 0.745 371 L CB -0.773 41.276 42.059 -0.017 0.000 0.894 371 L HN 0.231 nan 8.230 nan 0.000 0.432 372 R N -0.788 119.721 120.500 0.014 0.000 2.081 372 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 372 R C 2.351 178.714 176.300 0.105 0.000 1.131 372 R CA 1.660 57.785 56.100 0.041 0.000 0.960 372 R CB -0.391 29.956 30.300 0.078 0.000 0.856 372 R HN 0.436 nan 8.270 nan 0.000 0.436 373 L N 0.512 121.814 121.223 0.131 0.000 2.043 373 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 373 L C 2.978 179.900 176.870 0.087 0.000 1.075 373 L CA 1.831 56.784 54.840 0.189 0.000 0.752 373 L CB -0.460 41.648 42.059 0.082 0.000 0.891 373 L HN 0.306 nan 8.230 nan 0.000 0.432 374 R N -0.170 120.271 120.500 -0.099 0.000 2.062 374 R HA -0.131 4.209 4.340 -0.000 0.000 0.229 374 R C 2.166 178.342 176.300 -0.206 0.000 1.128 374 R CA 1.296 57.193 56.100 -0.338 0.000 0.960 374 R CB -0.039 29.926 30.300 -0.558 0.000 0.855 374 R HN 0.371 nan 8.270 nan 0.000 0.432 375 E N 0.461 120.581 120.200 -0.134 0.000 2.028 375 E HA -0.230 4.119 4.350 -0.000 0.000 0.191 375 E C 1.828 178.345 176.600 -0.139 0.000 0.988 375 E CA 1.403 57.736 56.400 -0.111 0.000 0.799 375 E CB -0.153 29.495 29.700 -0.087 0.000 0.755 375 E HN 0.529 nan 8.360 nan 0.000 0.447 376 E N -0.586 119.496 120.200 -0.198 0.000 2.122 376 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 376 E C 1.209 177.457 176.600 -0.586 0.000 0.977 376 E CA 0.478 56.599 56.400 -0.464 0.000 0.820 376 E CB 0.147 29.422 29.700 -0.708 0.000 0.770 376 E HN 0.119 nan 8.360 nan 0.000 0.462 377 F N -0.936 119.001 119.950 -0.021 0.000 2.706 377 F HA 0.378 4.904 4.527 -0.000 0.000 0.308 377 F C 1.323 177.136 175.800 0.023 0.000 1.095 377 F CA 0.352 58.352 58.000 -0.000 0.000 1.244 377 F CB 1.336 40.338 39.000 0.004 0.000 1.063 377 F HN 0.132 nan 8.300 nan 0.000 0.582 378 G N 1.421 110.308 108.800 0.144 0.000 2.198 378 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 378 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 378 G C -0.200 174.905 174.900 0.342 0.000 1.025 378 G CA 0.249 45.477 45.100 0.213 0.000 0.769 378 G HN 0.173 nan 8.290 nan 0.000 0.507 379 V N 0.649 120.697 119.914 0.224 0.000 2.370 379 V HA 0.523 4.642 4.120 -0.000 0.000 0.279 379 V C -0.265 175.922 176.094 0.155 0.000 1.029 379 V CA -0.892 61.550 62.300 0.236 0.000 0.870 379 V CB 1.021 32.923 31.823 0.132 0.000 0.984 379 V HN 0.232 nan 8.190 nan 0.000 0.451 380 Y N 3.668 124.048 120.300 0.132 0.000 2.369 380 Y HA 0.727 5.277 4.550 -0.000 0.000 0.337 380 Y C 0.477 176.416 175.900 0.065 0.000 0.961 380 Y CA -0.258 57.917 58.100 0.126 0.000 1.186 380 Y CB 1.577 40.164 38.460 0.211 0.000 1.139 380 Y HN 0.745 nan 8.280 nan 0.000 0.494 381 A N 2.253 125.150 122.820 0.128 0.000 2.437 381 A HA 0.861 5.181 4.320 -0.000 0.000 0.288 381 A C -1.152 176.483 177.584 0.085 0.000 1.201 381 A CA -0.816 51.281 52.037 0.100 0.000 0.795 381 A CB 0.780 19.824 19.000 0.072 0.000 1.359 381 A HN 0.379 nan 8.150 nan 0.000 0.435 382 V N 0.823 120.780 119.914 0.072 0.000 2.649 382 V HA 0.399 4.518 4.120 -0.000 0.000 0.292 382 V C 1.677 177.801 176.094 0.050 0.000 1.055 382 V CA 0.451 62.782 62.300 0.052 0.000 1.023 382 V CB 1.043 32.882 31.823 0.025 0.000 0.992 382 V HN 1.221 nan 8.190 nan 0.000 0.480 383 A N 3.161 126.004 122.820 0.038 0.000 2.024 383 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 383 A C 2.251 179.863 177.584 0.046 0.000 1.164 383 A CA 1.877 53.933 52.037 0.033 0.000 0.643 383 A CB -0.614 18.399 19.000 0.022 0.000 0.806 383 A HN 1.106 nan 8.150 nan 0.000 0.451 384 S N -1.765 113.981 115.700 0.076 0.000 2.500 384 S HA 0.253 4.723 4.470 -0.000 0.000 0.239 384 S C 1.555 176.200 174.600 0.073 0.000 0.989 384 S CA 1.261 59.544 58.200 0.138 0.000 0.951 384 S CB -0.570 62.782 63.200 0.253 0.000 0.759 384 S HN 1.949 nan 8.310 nan 0.000 0.523 385 G N 1.043 109.868 108.800 0.042 0.000 2.175 385 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 385 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 385 G C 0.097 175.037 174.900 0.066 0.000 0.982 385 G CA 0.002 45.094 45.100 -0.014 0.000 0.641 385 G HN 0.694 nan 8.290 nan 0.000 0.527 386 R N 0.640 121.245 120.500 0.175 0.000 2.370 386 R HA 0.467 4.807 4.340 -0.000 0.000 0.309 386 R C 0.433 176.815 176.300 0.138 0.000 1.059 386 R CA 0.431 56.658 56.100 0.213 0.000 0.981 386 R CB 0.626 30.962 30.300 0.060 0.000 0.972 386 R HN 0.722 nan 8.270 nan 0.000 0.437 387 V N 2.040 122.068 119.914 0.190 0.000 2.555 387 V HA 0.345 4.465 4.120 -0.000 0.000 0.302 387 V C -0.347 175.889 176.094 0.236 0.000 1.038 387 V CA -0.990 61.394 62.300 0.141 0.000 0.887 387 V CB 1.748 33.588 31.823 0.028 0.000 0.991 387 V HN 0.870 nan 8.190 nan 0.000 0.434 388 N N 3.299 122.119 118.700 0.200 0.000 2.448 388 N HA 0.216 4.956 4.740 -0.000 0.000 0.250 388 N C 0.847 176.295 175.510 -0.104 0.000 1.136 388 N CA -0.380 52.756 53.050 0.144 0.000 0.953 388 N CB 1.451 40.019 38.487 0.134 0.000 1.251 388 N HN 0.688 nan 8.380 nan 0.000 0.502 389 V N 3.562 123.390 119.914 -0.143 0.000 2.490 389 V HA -0.212 3.908 4.120 -0.000 0.000 0.250 389 V C 2.262 178.252 176.094 -0.174 0.000 1.061 389 V CA 2.010 64.175 62.300 -0.224 0.000 1.064 389 V CB -0.675 31.057 31.823 -0.152 0.000 0.670 389 V HN 0.805 nan 8.190 nan 0.000 0.461 390 A N 0.414 123.152 122.820 -0.136 0.000 2.216 390 A HA 0.059 4.378 4.320 -0.000 0.000 0.214 390 A C 2.156 179.673 177.584 -0.112 0.000 1.160 390 A CA 1.324 53.316 52.037 -0.075 0.000 0.725 390 A CB -0.618 18.395 19.000 0.022 0.000 0.784 390 A HN 0.551 nan 8.150 nan 0.000 0.472 391 G N -1.181 107.494 108.800 -0.208 0.000 3.042 391 G HA2 0.323 4.283 3.960 -0.000 0.000 0.212 391 G HA3 0.323 4.283 3.960 -0.000 0.000 0.212 391 G C 0.560 175.183 174.900 -0.463 0.000 1.166 391 G CA -0.317 44.453 45.100 -0.550 0.000 0.767 391 G HN 0.458 nan 8.290 nan 0.000 0.546 392 M N 1.619 121.037 119.600 -0.302 0.000 2.274 392 M HA 0.439 4.919 4.480 -0.000 0.000 0.344 392 M C 0.280 176.480 176.300 -0.167 0.000 1.161 392 M CA -0.093 55.064 55.300 -0.239 0.000 1.126 392 M CB 1.633 34.085 32.600 -0.248 0.000 1.522 392 M HN 0.092 nan 8.290 nan 0.000 0.461 393 T N -1.401 113.079 114.554 -0.123 0.000 2.883 393 T HA 0.466 4.816 4.350 -0.000 0.000 0.296 393 T C -2.544 172.130 174.700 -0.043 0.000 1.117 393 T CA -1.786 60.270 62.100 -0.074 0.000 1.006 393 T CB 1.744 70.571 68.868 -0.068 0.000 1.191 393 T HN 0.266 nan 8.240 nan 0.000 0.508 394 P HA -0.103 nan 4.420 nan 0.000 0.217 394 P C 0.873 178.167 177.300 -0.010 0.000 1.151 394 P CA 1.219 64.314 63.100 -0.009 0.000 0.849 394 P CB 0.034 31.733 31.700 -0.002 0.000 0.787 395 D N -1.544 118.848 120.400 -0.014 0.000 2.194 395 D HA -0.086 4.554 4.640 -0.000 0.000 0.204 395 D C 1.395 177.687 176.300 -0.014 0.000 0.964 395 D CA 1.046 55.040 54.000 -0.010 0.000 0.846 395 D CB -0.597 40.199 40.800 -0.007 0.000 0.962 395 D HN 0.331 nan 8.370 nan 0.000 0.490 396 N N -0.189 118.494 118.700 -0.029 0.000 2.280 396 N HA -0.021 4.719 4.740 -0.000 0.000 0.192 396 N C 1.444 176.936 175.510 -0.029 0.000 1.109 396 N CA 0.092 53.124 53.050 -0.031 0.000 0.855 396 N CB -0.187 38.268 38.487 -0.053 0.000 0.974 396 N HN -0.036 nan 8.380 nan 0.000 0.482 397 M N 1.109 120.696 119.600 -0.023 0.000 2.086 397 M HA 0.137 4.617 4.480 -0.000 0.000 0.261 397 M C 1.951 178.256 176.300 0.008 0.000 1.067 397 M CA 1.527 56.826 55.300 -0.001 0.000 1.116 397 M CB -0.706 31.902 32.600 0.014 0.000 1.348 397 M HN 0.261 nan 8.290 nan 0.000 0.407 398 A N 0.325 123.144 122.820 -0.001 0.000 1.851 398 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 398 A C -0.188 177.386 177.584 -0.016 0.000 1.195 398 A CA 1.980 54.013 52.037 -0.008 0.000 0.622 398 A CB -2.367 16.630 19.000 -0.005 0.000 0.831 398 A HN 0.460 nan 8.150 nan 0.000 0.444 399 P HA -0.152 nan 4.420 nan 0.000 0.215 399 P C 1.698 178.975 177.300 -0.038 0.000 1.153 399 P CA 1.513 64.607 63.100 -0.010 0.000 0.853 399 P CB -0.292 31.417 31.700 0.015 0.000 0.788 400 L N -2.577 118.631 121.223 -0.025 0.000 2.093 400 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 400 L C 2.117 178.961 176.870 -0.044 0.000 1.085 400 L CA 1.872 56.693 54.840 -0.031 0.000 0.755 400 L CB -1.861 40.184 42.059 -0.024 0.000 0.904 400 L HN -0.103 nan 8.230 nan 0.000 0.435 401 C N 0.276 119.564 119.300 -0.019 0.000 2.457 401 C HA -0.028 4.432 4.460 -0.000 0.000 0.278 401 C C 2.642 177.556 174.990 -0.126 0.000 1.309 401 C CA 0.761 59.746 59.018 -0.056 0.000 1.735 401 C CB -0.896 26.814 27.740 -0.050 0.000 1.992 401 C HN 0.638 nan 8.230 nan 0.000 0.493 402 E N 1.227 121.352 120.200 -0.124 0.000 2.110 402 E HA -0.174 4.175 4.350 -0.000 0.000 0.193 402 E C 2.340 178.747 176.600 -0.321 0.000 0.988 402 E CA 1.416 57.721 56.400 -0.157 0.000 0.804 402 E CB -0.213 29.428 29.700 -0.099 0.000 0.745 402 E HN 0.678 nan 8.360 nan 0.000 0.458 403 A N 1.001 123.546 122.820 -0.459 0.000 1.877 403 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 403 A C 2.174 179.403 177.584 -0.592 0.000 1.186 403 A CA 1.099 52.562 52.037 -0.957 0.000 0.620 403 A CB -0.552 18.015 19.000 -0.720 0.000 0.822 403 A HN 0.137 nan 8.150 nan 0.000 0.443 404 I N -0.315 120.081 120.570 -0.290 0.000 2.179 404 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 404 I C 1.289 177.329 176.117 -0.129 0.000 1.088 404 I CA 0.378 61.582 61.300 -0.160 0.000 1.357 404 I CB -0.467 37.460 38.000 -0.121 0.000 1.051 404 I HN 0.085 nan 8.210 nan 0.000 0.409 408 V N -0.530 119.392 119.914 0.013 0.000 3.590 408 V HA 0.447 4.567 4.120 -0.000 0.000 0.265 408 V C 1.009 177.139 176.094 0.061 0.000 1.239 408 V CA 0.187 62.532 62.300 0.074 0.000 1.117 408 V CB -0.733 31.146 31.823 0.094 0.000 0.818 408 V HN 0.353 nan 8.190 nan 0.000 0.451 409 L N 0.000 121.254 121.223 0.052 0.000 2.949 409 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 409 L CA 0.000 54.882 54.840 0.069 0.000 0.813 409 L CB 0.000 42.117 42.059 0.096 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502