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 1m3e_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLCGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RXISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPXCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRKEED DATA SEQUENCE XXXXXXXXXD NVRERIIKRA ALEFEDGXYA NLGIGIPLLA SNFISPNXTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAXI DATA SEQUENCE RGGHVNLTXL GAXQVSKYGD LANWXIPGKL VKGXGGAXDL VSSAKTKVVV DATA SEQUENCE TXEHSAKGNA HKIXEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPXQQVT T 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.825 174.700 0.208 0.000 1.109 1 T CA 0.000 62.182 62.100 0.137 0.000 1.349 1 T CB 0.000 68.896 68.868 0.046 0.000 0.612 2 K N 2.771 123.275 120.400 0.173 0.000 2.234 2 K HA 0.612 4.932 4.320 -0.000 0.000 0.277 2 K C -1.033 175.689 176.600 0.204 0.000 1.038 2 K CA -0.592 55.819 56.287 0.208 0.000 0.888 2 K CB 0.452 33.050 32.500 0.164 0.000 1.091 2 K HN 0.353 nan 8.250 nan 0.000 0.467 3 F N 3.629 123.595 119.950 0.025 0.000 2.385 3 F HA 0.318 4.845 4.527 -0.000 0.000 0.336 3 F C -0.217 175.559 175.800 -0.040 0.000 1.100 3 F CA -0.151 57.900 58.000 0.085 0.000 1.116 3 F CB 0.590 39.614 39.000 0.039 0.000 1.166 3 F HN 0.413 nan 8.300 nan 0.000 0.511 4 Y N 0.025 120.426 120.300 0.168 0.000 2.598 4 Y HA 0.385 4.935 4.550 -0.000 0.000 0.340 4 Y C 0.983 176.948 175.900 0.109 0.000 1.038 4 Y CA -0.893 57.275 58.100 0.114 0.000 1.100 4 Y CB 1.823 40.325 38.460 0.069 0.000 1.281 4 Y HN 0.507 nan 8.280 nan 0.000 0.488 5 T N -0.990 113.701 114.554 0.229 0.000 3.000 5 T HA 0.017 4.367 4.350 -0.000 0.000 0.248 5 T C -0.410 174.368 174.700 0.130 0.000 1.034 5 T CA 0.416 62.605 62.100 0.149 0.000 1.060 5 T CB 0.129 69.054 68.868 0.095 0.000 0.983 5 T HN 0.497 nan 8.240 nan 0.000 0.482 6 D N 0.514 121.008 120.400 0.156 0.000 2.308 6 D HA 0.538 5.178 4.640 -0.000 0.000 0.242 6 D C 0.889 177.239 176.300 0.082 0.000 1.059 6 D CA -0.280 53.782 54.000 0.103 0.000 0.830 6 D CB 2.062 42.917 40.800 0.092 0.000 1.161 6 D HN 0.100 nan 8.370 nan 0.000 0.494 7 A N 3.509 126.343 122.820 0.024 0.000 1.902 7 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 7 A C 2.202 179.753 177.584 -0.056 0.000 1.181 7 A CA 1.281 53.301 52.037 -0.028 0.000 0.623 7 A CB -0.529 18.449 19.000 -0.036 0.000 0.818 7 A HN 0.515 nan 8.150 nan 0.000 0.443 8 V N 0.086 119.982 119.914 -0.030 0.000 2.287 8 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 8 V C 2.585 178.662 176.094 -0.028 0.000 1.053 8 V CA 2.463 64.741 62.300 -0.037 0.000 1.027 8 V CB -0.776 31.036 31.823 -0.018 0.000 0.646 8 V HN 0.682 nan 8.190 nan 0.000 0.447 9 E N 0.424 120.642 120.200 0.029 0.000 2.160 9 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 9 E C 2.051 178.666 176.600 0.026 0.000 0.991 9 E CA 1.479 57.942 56.400 0.104 0.000 0.810 9 E CB -0.385 29.456 29.700 0.234 0.000 0.742 9 E HN 0.581 nan 8.360 nan 0.000 0.466 10 A N -0.349 122.340 122.820 -0.220 0.000 2.016 10 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 10 A C 2.017 179.423 177.584 -0.297 0.000 1.162 10 A CA 1.268 52.929 52.037 -0.627 0.000 0.662 10 A CB -0.066 18.498 19.000 -0.727 0.000 0.812 10 A HN 0.289 nan 8.150 nan 0.000 0.450 11 V N -3.119 116.676 119.914 -0.198 0.000 3.528 11 V HA 0.214 4.334 4.120 -0.000 0.000 0.294 11 V C 1.637 177.598 176.094 -0.221 0.000 1.404 11 V CA 0.814 62.976 62.300 -0.230 0.000 1.065 11 V CB -0.434 31.259 31.823 -0.216 0.000 0.904 11 V HN 0.460 nan 8.190 nan 0.000 0.435 12 K N 2.668 122.995 120.400 -0.122 0.000 2.189 12 K HA -0.269 4.051 4.320 -0.000 0.000 0.207 12 K C 1.458 178.009 176.600 -0.082 0.000 1.046 12 K CA 2.426 58.668 56.287 -0.075 0.000 0.928 12 K CB -0.179 32.315 32.500 -0.009 0.000 0.720 12 K HN 0.797 nan 8.250 nan 0.000 0.458 13 D N 0.104 120.453 120.400 -0.085 0.000 2.368 13 D HA 0.008 4.648 4.640 -0.000 0.000 0.218 13 D C 0.380 176.601 176.300 -0.132 0.000 1.112 13 D CA -0.234 53.744 54.000 -0.037 0.000 0.834 13 D CB -0.263 40.594 40.800 0.096 0.000 0.953 13 D HN 0.217 nan 8.370 nan 0.000 0.505 14 I N 3.087 123.403 120.570 -0.422 0.000 2.587 14 I HA 0.067 4.237 4.170 -0.000 0.000 0.284 14 I C -1.738 174.263 176.117 -0.193 0.000 1.134 14 I CA -1.286 59.665 61.300 -0.583 0.000 1.410 14 I CB 0.499 38.059 38.000 -0.733 0.000 1.392 14 I HN -0.144 nan 8.210 nan 0.000 0.545 15 P HA 0.126 nan 4.420 nan 0.000 0.276 15 P C -0.879 176.407 177.300 -0.023 0.000 1.244 15 P CA -0.589 62.506 63.100 -0.008 0.000 0.801 15 P CB 0.653 32.382 31.700 0.049 0.000 1.006 16 N N 0.280 118.967 118.700 -0.021 0.000 2.441 16 N HA 0.135 4.875 4.740 -0.000 0.000 0.251 16 N C 1.576 177.080 175.510 -0.010 0.000 1.242 16 N CA 1.457 54.492 53.050 -0.024 0.000 0.898 16 N CB -0.350 38.124 38.487 -0.021 0.000 1.100 16 N HN 0.800 nan 8.380 nan 0.000 0.443 17 G N -0.622 108.169 108.800 -0.015 0.000 2.168 17 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.263 17 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.263 17 G C 0.318 175.223 174.900 0.008 0.000 0.977 17 G CA 0.514 45.610 45.100 -0.006 0.000 0.659 17 G HN 0.915 nan 8.290 nan 0.000 0.533 18 A N -0.351 122.479 122.820 0.016 0.000 2.366 18 A HA 0.684 5.004 4.320 -0.000 0.000 0.249 18 A C 0.702 178.312 177.584 0.044 0.000 1.084 18 A CA 0.986 53.055 52.037 0.053 0.000 0.794 18 A CB 0.470 19.526 19.000 0.094 0.000 1.034 18 A HN 0.730 nan 8.150 nan 0.000 0.491 19 T N 1.559 116.153 114.554 0.066 0.000 2.733 19 T HA 0.485 4.835 4.350 -0.000 0.000 0.294 19 T C -0.468 174.281 174.700 0.082 0.000 0.956 19 T CA -0.124 62.005 62.100 0.049 0.000 0.987 19 T CB 0.497 69.388 68.868 0.039 0.000 0.920 19 T HN 0.411 nan 8.240 nan 0.000 0.470 20 V N 5.616 125.563 119.914 0.055 0.000 2.487 20 V HA 0.430 4.550 4.120 -0.000 0.000 0.298 20 V C -0.091 176.028 176.094 0.042 0.000 1.028 20 V CA -0.972 61.373 62.300 0.074 0.000 0.860 20 V CB 1.607 33.451 31.823 0.035 0.000 0.991 20 V HN 0.744 nan 8.190 nan 0.000 0.427 21 L N 5.122 126.381 121.223 0.060 0.000 2.305 21 L HA 0.626 4.966 4.340 -0.000 0.000 0.281 21 L C -0.579 176.311 176.870 0.034 0.000 1.085 21 L CA -0.590 54.273 54.840 0.039 0.000 0.813 21 L CB 1.398 43.489 42.059 0.053 0.000 1.157 21 L HN 0.340 nan 8.230 nan 0.000 0.436 22 V N 2.430 122.348 119.914 0.007 0.000 2.409 22 V HA 0.420 4.540 4.120 -0.000 0.000 0.290 22 V C 0.763 176.864 176.094 0.012 0.000 1.017 22 V CA -0.591 61.712 62.300 0.005 0.000 0.841 22 V CB 1.357 33.164 31.823 -0.027 0.000 1.003 22 V HN 0.924 nan 8.190 nan 0.000 0.426 23 G N 2.667 111.499 108.800 0.055 0.000 2.683 23 G HA2 0.560 4.520 3.960 -0.000 0.000 0.260 23 G HA3 0.560 4.520 3.960 -0.000 0.000 0.260 23 G C 0.360 175.312 174.900 0.087 0.000 1.238 23 G CA 0.425 45.581 45.100 0.094 0.000 0.934 23 G HN 1.768 nan 8.290 nan 0.000 0.534 24 G N -2.220 106.667 108.800 0.145 0.000 2.770 24 G HA2 0.308 4.268 3.960 -0.000 0.000 0.686 24 G HA3 0.308 4.268 3.960 -0.000 0.000 0.686 24 G C -0.981 174.052 174.900 0.223 0.000 1.180 24 G CA -0.263 44.933 45.100 0.160 0.000 0.767 24 G HN 1.304 nan 8.290 nan 0.000 0.646 25 F N 3.300 123.314 119.950 0.108 0.000 2.427 25 F HA 0.626 5.153 4.527 -0.000 0.000 0.348 25 F C 1.173 177.033 175.800 0.101 0.000 1.125 25 F CA 1.308 59.383 58.000 0.126 0.000 0.989 25 F CB 1.182 40.272 39.000 0.150 0.000 1.165 25 F HN 2.178 nan 8.300 nan 0.000 0.442 26 G N 5.237 113.814 108.800 -0.371 0.000 2.602 26 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.310 26 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.310 26 G C 0.380 175.284 174.900 0.006 0.000 1.183 26 G CA 0.459 45.441 45.100 -0.198 0.000 0.979 26 G HN 0.759 nan 8.290 nan 0.000 0.545 27 L N 0.286 121.558 121.223 0.082 0.000 2.959 27 L HA 0.343 4.683 4.340 -0.000 0.000 0.259 27 L C 1.071 178.043 176.870 0.169 0.000 1.185 27 L CA -0.374 54.564 54.840 0.164 0.000 0.998 27 L CB 0.905 43.082 42.059 0.196 0.000 1.337 27 L HN 0.549 nan 8.230 nan 0.000 0.555 28 C N 1.443 120.837 119.300 0.157 0.000 2.394 28 C HA 0.556 5.016 4.460 -0.000 0.000 0.362 28 C C 1.679 176.754 174.990 0.142 0.000 1.268 28 C CA 0.292 59.398 59.018 0.147 0.000 1.828 28 C CB -0.658 27.186 27.740 0.174 0.000 2.442 28 C HN 0.838 nan 8.230 nan 0.000 0.549 29 G N 6.163 115.028 108.800 0.108 0.000 2.295 29 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.287 29 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.287 29 G C -0.108 174.871 174.900 0.132 0.000 1.055 29 G CA 0.623 45.789 45.100 0.110 0.000 0.922 29 G HN 1.394 nan 8.290 nan 0.000 0.503 30 I N -2.124 118.529 120.570 0.139 0.000 2.488 30 I HA 0.668 4.838 4.170 -0.000 0.000 0.299 30 I C -1.919 174.266 176.117 0.114 0.000 0.984 30 I CA -3.149 58.213 61.300 0.103 0.000 1.250 30 I CB 1.949 39.989 38.000 0.065 0.000 1.389 30 I HN -0.067 nan 8.210 nan 0.000 0.488 31 P HA 0.120 nan 4.420 nan 0.000 0.231 31 P C 0.176 177.487 177.300 0.018 0.000 1.811 31 P CA -0.181 62.974 63.100 0.091 0.000 1.051 31 P CB 0.086 31.826 31.700 0.067 0.000 1.951 32 E N 1.378 121.595 120.200 0.028 0.000 2.118 32 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 32 E C 1.121 177.660 176.600 -0.102 0.000 0.992 32 E CA 0.900 57.233 56.400 -0.113 0.000 0.804 32 E CB -0.530 29.138 29.700 -0.054 0.000 0.741 32 E HN 0.280 nan 8.360 nan 0.000 0.458 33 N N 1.061 119.719 118.700 -0.071 0.000 2.171 33 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 33 N C 2.115 177.582 175.510 -0.071 0.000 1.021 33 N CA 0.986 53.976 53.050 -0.101 0.000 0.854 33 N CB -0.113 38.293 38.487 -0.136 0.000 0.994 33 N HN 0.242 nan 8.380 nan 0.000 0.426 34 L N 1.001 122.197 121.223 -0.044 0.000 2.141 34 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 34 L C 2.235 179.060 176.870 -0.076 0.000 1.094 34 L CA 0.737 55.545 54.840 -0.053 0.000 0.763 34 L CB -0.316 41.726 42.059 -0.029 0.000 0.908 34 L HN 0.097 nan 8.230 nan 0.000 0.437 35 I N -0.195 120.323 120.570 -0.087 0.000 2.315 35 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 35 I C 2.592 178.644 176.117 -0.109 0.000 1.117 35 I CA 1.287 62.521 61.300 -0.110 0.000 1.404 35 I CB -0.703 37.206 38.000 -0.151 0.000 1.071 35 I HN 0.249 nan 8.210 nan 0.000 0.419 36 G N 0.509 109.245 108.800 -0.107 0.000 2.422 36 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.218 36 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.218 36 G C 1.854 176.710 174.900 -0.072 0.000 1.140 36 G CA 0.754 45.802 45.100 -0.086 0.000 0.775 36 G HN 0.477 nan 8.290 nan 0.000 0.545 37 A N 0.597 123.373 122.820 -0.074 0.000 1.972 37 A HA 0.137 4.457 4.320 -0.000 0.000 0.219 37 A C 2.345 179.881 177.584 -0.079 0.000 1.169 37 A CA 0.959 52.954 52.037 -0.071 0.000 0.635 37 A CB -0.302 18.653 19.000 -0.075 0.000 0.810 37 A HN 0.353 nan 8.150 nan 0.000 0.446 38 L N -0.678 120.491 121.223 -0.091 0.000 2.275 38 L HA -0.112 4.228 4.340 -0.000 0.000 0.215 38 L C 2.390 179.212 176.870 -0.080 0.000 1.119 38 L CA 0.595 55.377 54.840 -0.097 0.000 0.790 38 L CB -0.516 41.479 42.059 -0.106 0.000 0.919 38 L HN 0.400 nan 8.230 nan 0.000 0.443 39 L N -0.225 120.955 121.223 -0.072 0.000 2.027 39 L HA -0.208 4.132 4.340 -0.000 0.000 0.206 39 L C 2.622 179.463 176.870 -0.049 0.000 1.074 39 L CA 1.434 56.239 54.840 -0.059 0.000 0.745 39 L CB -0.364 41.663 42.059 -0.053 0.000 0.898 39 L HN 0.223 nan 8.230 nan 0.000 0.433 40 K N -0.923 119.449 120.400 -0.047 0.000 2.057 40 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 40 K C 2.125 178.699 176.600 -0.042 0.000 1.050 40 K CA 1.603 57.867 56.287 -0.038 0.000 0.935 40 K CB -0.322 32.158 32.500 -0.034 0.000 0.715 40 K HN 0.146 nan 8.250 nan 0.000 0.439 41 T N -0.397 114.124 114.554 -0.055 0.000 2.720 41 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 41 T C 1.314 175.981 174.700 -0.056 0.000 1.037 41 T CA 1.671 63.734 62.100 -0.061 0.000 1.144 41 T CB -0.446 68.371 68.868 -0.086 0.000 0.864 41 T HN 0.624 nan 8.240 nan 0.000 0.444 42 G N 0.421 109.186 108.800 -0.058 0.000 2.162 42 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 42 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 42 G C 0.423 175.289 174.900 -0.056 0.000 0.976 42 G CA 0.403 45.472 45.100 -0.051 0.000 0.655 42 G HN 0.769 nan 8.290 nan 0.000 0.533 43 V N 1.153 121.025 119.914 -0.071 0.000 2.720 43 V HA 0.488 4.608 4.120 -0.000 0.000 0.307 43 V C 0.742 176.797 176.094 -0.066 0.000 1.071 43 V CA 1.317 63.573 62.300 -0.074 0.000 1.199 43 V CB 0.677 32.438 31.823 -0.104 0.000 0.900 43 V HN 0.822 nan 8.190 nan 0.000 0.494 44 K N 3.702 124.069 120.400 -0.054 0.000 2.372 44 K HA 0.604 4.924 4.320 -0.000 0.000 0.251 44 K C -0.095 176.478 176.600 -0.044 0.000 1.055 44 K CA -0.566 55.691 56.287 -0.050 0.000 0.879 44 K CB 1.353 33.828 32.500 -0.042 0.000 1.384 44 K HN 0.553 nan 8.250 nan 0.000 0.465 45 E N 0.433 120.607 120.200 -0.045 0.000 2.513 45 E HA -0.183 4.167 4.350 -0.000 0.000 0.257 45 E C -0.742 175.834 176.600 -0.040 0.000 1.098 45 E CA 0.344 56.720 56.400 -0.039 0.000 0.752 45 E CB -1.492 28.191 29.700 -0.028 0.000 1.324 45 E HN 0.383 nan 8.360 nan 0.000 0.403 46 L N 0.286 121.479 121.223 -0.051 0.000 2.417 46 L HA 0.244 4.584 4.340 -0.000 0.000 0.268 46 L C 1.066 177.906 176.870 -0.051 0.000 1.158 46 L CA 0.219 55.030 54.840 -0.047 0.000 0.819 46 L CB 0.986 43.009 42.059 -0.059 0.000 1.112 46 L HN 0.013 nan 8.230 nan 0.000 0.458 47 T N 1.991 116.524 114.554 -0.035 0.000 2.947 47 T HA 0.577 4.927 4.350 -0.000 0.000 0.337 47 T C -0.209 174.469 174.700 -0.037 0.000 1.139 47 T CA -0.631 61.445 62.100 -0.039 0.000 0.992 47 T CB 0.332 69.186 68.868 -0.024 0.000 1.043 47 T HN 0.646 nan 8.240 nan 0.000 0.498 48 A N 4.672 127.457 122.820 -0.059 0.000 2.310 48 A HA 0.582 4.902 4.320 -0.000 0.000 0.300 48 A C 0.501 178.051 177.584 -0.058 0.000 1.269 48 A CA -0.697 51.306 52.037 -0.057 0.000 0.909 48 A CB 0.198 19.150 19.000 -0.080 0.000 1.144 48 A HN 1.214 nan 8.150 nan 0.000 0.540 49 V N 3.053 122.942 119.914 -0.041 0.000 2.368 49 V HA 0.712 4.832 4.120 -0.000 0.000 0.266 49 V C -0.116 175.929 176.094 -0.081 0.000 1.045 49 V CA 0.448 62.717 62.300 -0.052 0.000 0.899 49 V CB 0.552 32.362 31.823 -0.023 0.000 1.006 49 V HN 0.982 nan 8.190 nan 0.000 0.470 50 S N 4.030 119.656 115.700 -0.124 0.000 2.541 50 S HA 0.393 4.863 4.470 -0.000 0.000 0.271 50 S C 0.540 174.981 174.600 -0.266 0.000 1.133 50 S CA -0.307 57.785 58.200 -0.179 0.000 0.876 50 S CB 1.994 65.127 63.200 -0.111 0.000 1.105 50 S HN 0.970 nan 8.310 nan 0.000 0.470 51 N N 3.176 121.602 118.700 -0.457 0.000 2.120 51 N HA 0.013 4.753 4.740 -0.000 0.000 0.188 51 N C 0.117 175.515 175.510 -0.188 0.000 1.024 51 N CA 1.718 54.483 53.050 -0.476 0.000 0.852 51 N CB -0.073 38.031 38.487 -0.638 0.000 1.003 51 N HN 0.710 nan 8.380 nan 0.000 0.424 52 N N -2.390 116.228 118.700 -0.138 0.000 2.629 52 N HA 0.555 5.295 4.740 -0.000 0.000 0.279 52 N C -1.224 174.287 175.510 0.002 0.000 1.344 52 N CA -0.452 52.565 53.050 -0.055 0.000 0.789 52 N CB 1.539 39.979 38.487 -0.078 0.000 1.508 52 N HN 0.028 nan 8.380 nan 0.000 0.516 53 A N 0.294 123.160 122.820 0.077 0.000 2.640 53 A HA 0.588 4.908 4.320 -0.000 0.000 0.282 53 A C 1.160 178.794 177.584 0.084 0.000 1.357 53 A CA 0.310 52.436 52.037 0.148 0.000 0.946 53 A CB -1.392 17.913 19.000 0.509 0.000 1.065 53 A HN 0.926 nan 8.150 nan 0.000 0.541 54 G N -0.583 108.241 108.800 0.040 0.000 2.627 54 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.312 54 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.312 54 G C 0.250 175.202 174.900 0.087 0.000 1.299 54 G CA 0.577 45.712 45.100 0.058 0.000 0.989 54 G HN 1.109 nan 8.290 nan 0.000 0.547 55 V N 0.403 120.388 119.914 0.118 0.000 3.155 55 V HA 0.437 4.557 4.120 -0.000 0.000 0.313 55 V C 1.191 177.350 176.094 0.109 0.000 1.162 55 V CA 0.151 62.519 62.300 0.114 0.000 1.048 55 V CB 1.734 33.634 31.823 0.129 0.000 1.092 55 V HN 0.752 nan 8.190 nan 0.000 0.447 56 D N 0.868 121.323 120.400 0.092 0.000 2.116 56 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 56 D C 1.279 177.628 176.300 0.081 0.000 0.998 56 D CA 2.030 56.076 54.000 0.078 0.000 0.836 56 D CB 0.151 40.989 40.800 0.063 0.000 0.951 56 D HN 0.672 nan 8.370 nan 0.000 0.449 57 N N -1.362 117.401 118.700 0.106 0.000 2.268 57 N HA 0.022 4.762 4.740 -0.000 0.000 0.204 57 N C -0.747 174.913 175.510 0.250 0.000 1.124 57 N CA -0.167 52.960 53.050 0.128 0.000 0.838 57 N CB 0.490 39.035 38.487 0.097 0.000 0.994 57 N HN -0.050 nan 8.380 nan 0.000 0.489 58 F N -1.149 118.809 119.950 0.012 0.000 2.719 58 F HA 0.430 4.957 4.527 -0.000 0.000 0.309 58 F C 0.369 176.178 175.800 0.014 0.000 1.138 58 F CA 0.568 58.576 58.000 0.013 0.000 0.943 58 F CB 0.798 39.810 39.000 0.020 0.000 1.304 58 F HN 0.073 nan 8.300 nan 0.000 0.445 59 G N 2.485 110.923 108.800 -0.603 0.000 2.512 59 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.254 59 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.254 59 G C 0.254 175.035 174.900 -0.197 0.000 1.199 59 G CA 0.115 45.007 45.100 -0.347 0.000 0.941 59 G HN 1.285 nan 8.290 nan 0.000 0.569 60 L N 2.405 123.564 121.223 -0.107 0.000 2.362 60 L HA 0.244 4.584 4.340 -0.000 0.000 0.219 60 L C 2.950 179.772 176.870 -0.080 0.000 1.134 60 L CA 2.851 57.635 54.840 -0.094 0.000 0.807 60 L CB -0.757 41.258 42.059 -0.074 0.000 0.927 60 L HN 0.992 nan 8.230 nan 0.000 0.447 61 G N -0.536 108.240 108.800 -0.040 0.000 2.442 61 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 61 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 61 G C 1.554 176.432 174.900 -0.036 0.000 1.141 61 G CA 1.038 46.130 45.100 -0.013 0.000 0.763 61 G HN 0.416 nan 8.290 nan 0.000 0.554 62 L N -0.479 120.713 121.223 -0.051 0.000 2.043 62 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 62 L C 2.675 179.505 176.870 -0.066 0.000 1.075 62 L CA 0.502 55.309 54.840 -0.054 0.000 0.752 62 L CB -0.438 41.571 42.059 -0.084 0.000 0.891 62 L HN 0.140 nan 8.230 nan 0.000 0.432 63 L N -0.856 120.314 121.223 -0.088 0.000 2.376 63 L HA -0.112 4.228 4.340 -0.000 0.000 0.219 63 L C 2.167 178.977 176.870 -0.100 0.000 1.133 63 L CA 1.373 56.158 54.840 -0.093 0.000 0.816 63 L CB -0.423 41.574 42.059 -0.104 0.000 0.933 63 L HN 0.181 nan 8.230 nan 0.000 0.449 64 L N -1.991 119.168 121.223 -0.106 0.000 2.127 64 L HA -0.107 4.233 4.340 -0.000 0.000 0.203 64 L C 2.438 179.262 176.870 -0.077 0.000 1.080 64 L CA 0.616 55.381 54.840 -0.126 0.000 0.768 64 L CB -0.334 41.625 42.059 -0.167 0.000 0.924 64 L HN 0.255 nan 8.230 nan 0.000 0.444 65 Q N 0.001 119.771 119.800 -0.050 0.000 2.096 65 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 65 Q C 2.122 178.102 176.000 -0.032 0.000 0.982 65 Q CA 1.984 57.770 55.803 -0.028 0.000 0.850 65 Q CB -0.099 28.631 28.738 -0.013 0.000 0.901 65 Q HN 0.544 nan 8.270 nan 0.000 0.422 66 S N -0.465 115.210 115.700 -0.042 0.000 2.650 66 S HA 0.093 4.563 4.470 -0.000 0.000 0.219 66 S C 0.367 174.939 174.600 -0.046 0.000 0.960 66 S CA 0.031 58.207 58.200 -0.040 0.000 0.925 66 S CB 0.242 63.416 63.200 -0.044 0.000 0.775 66 S HN 0.145 nan 8.310 nan 0.000 0.525 67 K N 0.799 121.166 120.400 -0.055 0.000 3.020 67 K HA -0.213 4.106 4.320 -0.000 0.000 0.266 67 K C 0.652 177.214 176.600 -0.063 0.000 1.067 67 K CA 1.134 57.386 56.287 -0.059 0.000 0.780 67 K CB -2.337 30.138 32.500 -0.041 0.000 1.220 67 K HN 0.714 nan 8.250 nan 0.000 0.483 68 Q N -0.606 119.152 119.800 -0.071 0.000 2.444 68 Q HA 0.135 4.475 4.340 -0.000 0.000 0.206 68 Q C 0.254 176.206 176.000 -0.080 0.000 0.948 68 Q CA 0.530 56.291 55.803 -0.070 0.000 0.946 68 Q CB 0.292 28.987 28.738 -0.072 0.000 1.027 68 Q HN 0.447 nan 8.270 nan 0.000 0.513 69 I N 0.794 121.306 120.570 -0.097 0.000 2.474 69 I HA 0.114 4.284 4.170 -0.000 0.000 0.294 69 I C 0.738 176.790 176.117 -0.108 0.000 1.005 69 I CA -0.419 60.815 61.300 -0.110 0.000 1.113 69 I CB 1.799 39.708 38.000 -0.152 0.000 1.289 69 I HN -0.004 nan 8.210 nan 0.000 0.436 70 K N 4.527 124.874 120.400 -0.088 0.000 2.399 70 K HA 0.373 4.693 4.320 -0.000 0.000 0.196 70 K C 0.835 177.386 176.600 -0.082 0.000 1.117 70 K CA -0.156 56.087 56.287 -0.074 0.000 0.965 70 K CB 0.854 33.326 32.500 -0.047 0.000 0.983 70 K HN 0.373 nan 8.250 nan 0.000 0.531 74 S N 1.417 117.086 115.700 -0.050 0.000 2.697 74 S HA 0.521 4.991 4.470 -0.000 0.000 0.289 74 S C 0.551 175.124 174.600 -0.045 0.000 1.149 74 S CA -0.208 57.952 58.200 -0.067 0.000 0.850 74 S CB 2.017 65.200 63.200 -0.029 0.000 1.151 74 S HN 0.652 nan 8.310 nan 0.000 0.491 75 S N -0.506 115.176 115.700 -0.031 0.000 2.499 75 S HA 0.239 4.709 4.470 -0.000 0.000 0.225 75 S C -0.166 174.510 174.600 0.127 0.000 1.050 75 S CA 0.033 58.251 58.200 0.029 0.000 0.928 75 S CB -0.173 63.055 63.200 0.047 0.000 0.803 75 S HN 0.743 nan 8.310 nan 0.000 0.506 76 Y N 1.751 122.027 120.300 -0.041 0.000 2.330 76 Y HA 0.506 5.056 4.550 -0.000 0.000 0.324 76 Y C -0.312 175.533 175.900 -0.092 0.000 1.093 76 Y CA -1.164 56.913 58.100 -0.039 0.000 1.103 76 Y CB 2.051 40.503 38.460 -0.014 0.000 1.183 76 Y HN 0.087 nan 8.280 nan 0.000 0.433 77 V N 3.186 122.678 119.914 -0.704 0.000 3.043 77 V HA 0.634 4.754 4.120 -0.000 0.000 0.357 77 V C 0.793 176.399 176.094 -0.814 0.000 1.372 77 V CA 0.343 62.212 62.300 -0.718 0.000 1.214 77 V CB -0.340 30.840 31.823 -1.071 0.000 1.224 77 V HN 0.849 nan 8.190 nan 0.000 0.507 78 G N 0.098 108.199 108.800 -1.166 0.000 2.621 78 G HA2 0.479 4.438 3.960 -0.000 0.000 0.271 78 G HA3 0.479 4.438 3.960 -0.000 0.000 0.271 78 G C 0.237 175.027 174.900 -0.184 0.000 1.236 78 G CA -0.033 44.701 45.100 -0.611 0.000 0.958 78 G HN 0.520 nan 8.290 nan 0.000 0.512 79 E N -1.394 118.781 120.200 -0.043 0.000 2.722 79 E HA -0.176 4.174 4.350 -0.000 0.000 0.265 79 E C -0.001 176.613 176.600 0.023 0.000 1.081 79 E CA 1.136 57.549 56.400 0.022 0.000 0.781 79 E CB -1.309 28.433 29.700 0.070 0.000 1.372 79 E HN 0.440 nan 8.360 nan 0.000 0.423 80 N N -1.142 117.562 118.700 0.007 0.000 2.640 80 N HA 0.459 5.199 4.740 -0.000 0.000 0.262 80 N C 0.607 176.171 175.510 0.091 0.000 1.174 80 N CA 0.570 53.664 53.050 0.075 0.000 0.791 80 N CB 0.779 39.359 38.487 0.154 0.000 1.279 80 N HN 0.065 nan 8.380 nan 0.000 0.535 81 A N 2.189 125.050 122.820 0.068 0.000 1.865 81 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 81 A C 1.796 179.439 177.584 0.097 0.000 1.191 81 A CA 1.860 53.935 52.037 0.063 0.000 0.623 81 A CB -0.427 18.598 19.000 0.041 0.000 0.826 81 A HN 0.664 nan 8.150 nan 0.000 0.444 82 E N -0.987 119.272 120.200 0.098 0.000 2.160 82 E HA -0.178 4.171 4.350 -0.000 0.000 0.195 82 E C 1.498 178.192 176.600 0.156 0.000 0.991 82 E CA 1.247 57.702 56.400 0.093 0.000 0.810 82 E CB -0.395 29.339 29.700 0.056 0.000 0.742 82 E HN 0.517 nan 8.360 nan 0.000 0.466 83 F N 2.102 122.061 119.950 0.014 0.000 2.016 83 F HA -0.040 4.487 4.527 -0.000 0.000 0.290 83 F C 1.959 177.806 175.800 0.078 0.000 1.166 83 F CA 2.031 60.045 58.000 0.023 0.000 1.156 83 F CB -1.246 37.748 39.000 -0.010 0.000 0.995 83 F HN 0.200 nan 8.300 nan 0.000 0.477 84 E N 0.202 120.627 120.200 0.375 0.000 2.233 84 E HA -0.292 4.058 4.350 -0.000 0.000 0.199 84 E C 2.348 179.073 176.600 0.209 0.000 1.004 84 E CA 1.383 57.908 56.400 0.207 0.000 0.819 84 E CB -0.632 29.068 29.700 -0.000 0.000 0.738 84 E HN 0.452 nan 8.360 nan 0.000 0.478 85 R N 0.875 121.486 120.500 0.185 0.000 2.082 85 R HA -0.144 4.196 4.340 -0.000 0.000 0.228 85 R C 2.548 178.935 176.300 0.146 0.000 1.140 85 R CA 2.154 58.322 56.100 0.114 0.000 0.920 85 R CB -0.175 30.177 30.300 0.086 0.000 0.828 85 R HN 0.309 nan 8.270 nan 0.000 0.430 86 Q N -0.822 119.085 119.800 0.178 0.000 2.135 86 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 86 Q C 1.935 178.099 176.000 0.272 0.000 0.981 86 Q CA 1.585 57.480 55.803 0.155 0.000 0.856 86 Q CB -0.308 28.468 28.738 0.064 0.000 0.902 86 Q HN 0.386 nan 8.270 nan 0.000 0.425 87 Y N 1.551 121.998 120.300 0.244 0.000 2.070 87 Y HA -0.205 4.345 4.550 0.000 0.000 0.279 87 Y C 1.913 177.963 175.900 0.250 0.000 1.134 87 Y CA 1.288 59.570 58.100 0.303 0.000 1.113 87 Y CB -0.716 37.990 38.460 0.411 0.000 0.981 87 Y HN 0.011 nan 8.280 nan 0.000 0.487 88 L N 0.013 121.285 121.223 0.081 0.000 2.013 88 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 88 L C 2.620 179.440 176.870 -0.084 0.000 1.073 88 L CA 1.519 56.241 54.840 -0.197 0.000 0.753 88 L CB -1.022 40.909 42.059 -0.213 0.000 0.890 88 L HN 0.282 nan 8.230 nan 0.000 0.432 89 A N -0.493 122.339 122.820 0.020 0.000 2.209 89 A HA 0.152 4.472 4.320 -0.000 0.000 0.212 89 A C 1.763 179.392 177.584 0.074 0.000 1.158 89 A CA 0.928 52.982 52.037 0.028 0.000 0.742 89 A CB -0.674 18.346 19.000 0.033 0.000 0.790 89 A HN 0.612 nan 8.150 nan 0.000 0.472 90 G N -0.810 108.079 108.800 0.149 0.000 2.136 90 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.242 90 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.242 90 G C 0.273 175.247 174.900 0.123 0.000 0.989 90 G CA 0.516 45.718 45.100 0.171 0.000 0.682 90 G HN 0.641 nan 8.290 nan 0.000 0.522 91 E N -1.228 119.040 120.200 0.113 0.000 2.479 91 E HA 0.421 4.771 4.350 -0.000 0.000 0.193 91 E C 0.358 176.984 176.600 0.044 0.000 1.049 91 E CA 0.129 56.567 56.400 0.063 0.000 0.870 91 E CB 0.625 30.352 29.700 0.045 0.000 0.944 91 E HN 0.443 nan 8.360 nan 0.000 0.492 92 L N 0.727 122.000 121.223 0.083 0.000 2.513 92 L HA 0.284 4.624 4.340 -0.000 0.000 0.261 92 L C -1.598 175.303 176.870 0.053 0.000 0.945 92 L CA -0.547 54.303 54.840 0.017 0.000 0.848 92 L CB 2.099 44.118 42.059 -0.067 0.000 1.334 92 L HN -0.221 nan 8.230 nan 0.000 0.407 93 E N 3.368 123.557 120.200 -0.017 0.000 2.227 93 E HA 0.640 4.990 4.350 -0.000 0.000 0.282 93 E C -1.251 175.288 176.600 -0.102 0.000 1.015 93 E CA -0.653 55.734 56.400 -0.021 0.000 0.823 93 E CB 2.147 31.832 29.700 -0.024 0.000 1.081 93 E HN 0.412 nan 8.360 nan 0.000 0.396 94 V N 2.786 122.607 119.914 -0.155 0.000 2.709 94 V HA 0.203 4.323 4.120 -0.000 0.000 0.308 94 V C -0.461 175.552 176.094 -0.136 0.000 1.062 94 V CA -0.746 61.414 62.300 -0.233 0.000 0.901 94 V CB 1.992 33.442 31.823 -0.622 0.000 1.003 94 V HN 0.693 nan 8.190 nan 0.000 0.425 95 E N 4.016 124.166 120.200 -0.083 0.000 2.267 95 E HA 0.406 4.756 4.350 -0.000 0.000 0.241 95 E C -0.833 175.750 176.600 -0.028 0.000 0.950 95 E CA -0.419 55.957 56.400 -0.040 0.000 0.776 95 E CB 1.034 30.714 29.700 -0.033 0.000 1.207 95 E HN 0.569 nan 8.360 nan 0.000 0.436 96 L N 3.143 124.366 121.223 0.000 0.000 2.654 96 L HA 0.055 4.395 4.340 -0.000 0.000 0.271 96 L C 0.108 176.963 176.870 -0.025 0.000 1.169 96 L CA 0.636 55.486 54.840 0.018 0.000 0.947 96 L CB -0.177 41.961 42.059 0.132 0.000 1.232 96 L HN 0.320 nan 8.230 nan 0.000 0.486 97 T N 4.833 119.362 114.554 -0.042 0.000 2.792 97 T HA 0.355 4.705 4.350 -0.000 0.000 0.280 97 T C -2.411 172.242 174.700 -0.078 0.000 0.990 97 T CA -1.415 60.649 62.100 -0.059 0.000 0.960 97 T CB 1.760 70.606 68.868 -0.036 0.000 0.939 97 T HN 0.330 nan 8.240 nan 0.000 0.439 98 P HA 0.003 nan 4.420 nan 0.000 0.262 98 P C 0.714 177.929 177.300 -0.142 0.000 1.182 98 P CA 0.166 63.186 63.100 -0.134 0.000 0.761 98 P CB 0.925 32.541 31.700 -0.139 0.000 0.795 99 Q N 3.421 123.119 119.800 -0.169 0.000 2.062 99 Q HA -0.213 4.127 4.340 -0.000 0.000 0.209 99 Q C 2.219 177.858 176.000 -0.602 0.000 0.996 99 Q CA 2.631 58.301 55.803 -0.223 0.000 0.859 99 Q CB -0.870 27.795 28.738 -0.122 0.000 0.920 99 Q HN 0.694 nan 8.270 nan 0.000 0.415 100 G N -0.841 107.244 108.800 -1.193 0.000 2.446 100 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 100 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 100 G C 1.368 176.114 174.900 -0.258 0.000 1.168 100 G CA 1.317 45.778 45.100 -1.064 0.000 0.771 100 G HN 0.395 nan 8.290 nan 0.000 0.551 101 T N 0.970 115.457 114.554 -0.111 0.000 2.788 101 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 101 T C 2.250 177.010 174.700 0.101 0.000 1.044 101 T CA 1.153 63.299 62.100 0.075 0.000 1.139 101 T CB -0.215 68.682 68.868 0.048 0.000 0.867 101 T HN 0.129 nan 8.240 nan 0.000 0.454 102 L N 1.386 122.639 121.223 0.049 0.000 2.042 102 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 102 L C 2.577 179.579 176.870 0.219 0.000 1.076 102 L CA 1.956 56.874 54.840 0.130 0.000 0.749 102 L CB -0.988 41.150 42.059 0.131 0.000 0.893 102 L HN 0.221 nan 8.230 nan 0.000 0.432 103 A N -1.128 121.800 122.820 0.180 0.000 1.877 103 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 103 A C 2.230 179.797 177.584 -0.029 0.000 1.186 103 A CA 1.573 53.624 52.037 0.025 0.000 0.620 103 A CB -0.630 18.245 19.000 -0.208 0.000 0.822 103 A HN 0.482 nan 8.150 nan 0.000 0.443 104 E N 0.060 120.232 120.200 -0.047 0.000 2.051 104 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 104 E C 2.270 178.770 176.600 -0.166 0.000 0.991 104 E CA 1.086 57.356 56.400 -0.215 0.000 0.799 104 E CB -0.348 29.142 29.700 -0.351 0.000 0.748 104 E HN 0.598 nan 8.360 nan 0.000 0.449 105 R N 0.154 120.742 120.500 0.147 0.000 2.096 105 R HA -0.114 4.226 4.340 -0.000 0.000 0.240 105 R C 2.615 178.975 176.300 0.099 0.000 1.139 105 R CA 1.456 57.708 56.100 0.255 0.000 0.952 105 R CB -0.456 29.981 30.300 0.228 0.000 0.854 105 R HN 0.215 nan 8.270 nan 0.000 0.436 106 I N 0.241 120.853 120.570 0.071 0.000 2.179 106 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 106 I C 2.834 178.944 176.117 -0.013 0.000 1.088 106 I CA 1.278 62.605 61.300 0.046 0.000 1.357 106 I CB -0.335 37.718 38.000 0.088 0.000 1.051 106 I HN 0.202 nan 8.210 nan 0.000 0.409 107 R N 1.442 121.905 120.500 -0.061 0.000 2.081 107 R HA -0.194 4.146 4.340 -0.000 0.000 0.235 107 R C 2.357 178.600 176.300 -0.095 0.000 1.131 107 R CA 1.680 57.716 56.100 -0.106 0.000 0.960 107 R CB -0.292 29.915 30.300 -0.154 0.000 0.856 107 R HN 0.344 nan 8.270 nan 0.000 0.436 108 A N 0.379 123.137 122.820 -0.103 0.000 1.978 108 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 108 A C 2.338 179.920 177.584 -0.003 0.000 1.170 108 A CA 1.676 53.678 52.037 -0.058 0.000 0.636 108 A CB -1.155 17.852 19.000 0.012 0.000 0.810 108 A HN 0.609 nan 8.150 nan 0.000 0.448 109 G N -1.073 107.732 108.800 0.008 0.000 2.470 109 G HA2 0.110 4.070 3.960 -0.000 0.000 0.220 109 G HA3 0.110 4.070 3.960 -0.000 0.000 0.220 109 G C 1.213 176.118 174.900 0.008 0.000 1.121 109 G CA 1.167 46.278 45.100 0.017 0.000 0.766 109 G HN 0.776 nan 8.290 nan 0.000 0.553 110 G N -0.646 108.146 108.800 -0.013 0.000 3.159 110 G HA2 0.397 4.357 3.960 -0.000 0.000 0.232 110 G HA3 0.397 4.357 3.960 -0.000 0.000 0.232 110 G C 1.101 176.009 174.900 0.014 0.000 1.116 110 G CA 0.931 46.027 45.100 -0.008 0.000 0.767 110 G HN 0.529 nan 8.290 nan 0.000 0.547 111 A N -0.220 122.598 122.820 -0.003 0.000 2.465 111 A HA 0.542 4.862 4.320 -0.000 0.000 0.255 111 A C 1.657 179.249 177.584 0.012 0.000 1.274 111 A CA 0.846 52.887 52.037 0.006 0.000 0.920 111 A CB -0.254 18.730 19.000 -0.026 0.000 1.033 111 A HN 1.383 nan 8.150 nan 0.000 0.516 112 G N -0.926 107.885 108.800 0.019 0.000 2.176 112 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.252 112 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.252 112 G C -0.061 174.849 174.900 0.017 0.000 1.024 112 G CA 0.277 45.389 45.100 0.020 0.000 0.755 112 G HN 0.911 nan 8.290 nan 0.000 0.507 113 V N 1.527 121.451 119.914 0.017 0.000 2.350 113 V HA 0.372 4.492 4.120 -0.000 0.000 0.285 113 V C -0.234 175.892 176.094 0.053 0.000 1.014 113 V CA -0.718 61.600 62.300 0.030 0.000 0.831 113 V CB 1.825 33.658 31.823 0.018 0.000 1.000 113 V HN 0.158 nan 8.190 nan 0.000 0.433 114 P HA 0.066 nan 4.420 nan 0.000 0.219 114 P C 0.294 177.619 177.300 0.042 0.000 1.150 114 P CA 0.967 64.089 63.100 0.036 0.000 0.814 114 P CB 0.837 32.547 31.700 0.017 0.000 0.787 115 A N -1.039 121.810 122.820 0.048 0.000 2.612 115 A HA 0.661 4.981 4.320 -0.000 0.000 0.293 115 A C -1.428 176.179 177.584 0.038 0.000 1.075 115 A CA -0.636 51.391 52.037 -0.017 0.000 0.680 115 A CB 0.704 19.609 19.000 -0.158 0.000 1.279 115 A HN 0.114 nan 8.150 nan 0.000 0.411 116 F N -1.734 118.084 119.950 -0.220 0.000 2.711 116 F HA 0.834 5.361 4.527 0.000 0.000 0.313 116 F C -1.751 173.853 175.800 -0.327 0.000 1.141 116 F CA -1.479 56.384 58.000 -0.228 0.000 0.941 116 F CB 0.743 39.669 39.000 -0.123 0.000 1.349 116 F HN 0.473 nan 8.300 nan 0.000 0.464 117 Y N 0.303 120.562 120.300 -0.069 0.000 2.361 117 Y HA 0.649 5.198 4.550 -0.000 0.000 0.332 117 Y C 0.390 176.295 175.900 0.008 0.000 1.101 117 Y CA -0.482 57.535 58.100 -0.139 0.000 1.137 117 Y CB 1.994 40.286 38.460 -0.281 0.000 1.207 117 Y HN 0.908 nan 8.280 nan 0.000 0.463 118 T N -0.091 114.645 114.554 0.304 0.000 2.894 118 T HA 0.303 4.653 4.350 -0.000 0.000 0.309 118 T C 0.400 175.426 174.700 0.543 0.000 1.208 118 T CA -0.210 62.136 62.100 0.410 0.000 1.016 118 T CB 0.925 69.990 68.868 0.327 0.000 1.192 118 T HN 0.622 nan 8.240 nan 0.000 0.491 119 S N 1.448 117.462 115.700 0.523 0.000 2.524 119 S HA 0.157 4.627 4.470 -0.000 0.000 0.216 119 S C 0.813 175.519 174.600 0.178 0.000 0.987 119 S CA -0.104 58.225 58.200 0.215 0.000 0.909 119 S CB -0.285 62.885 63.200 -0.050 0.000 0.781 119 S HN 0.719 nan 8.310 nan 0.000 0.521 120 T N 2.678 117.343 114.554 0.185 0.000 2.829 120 T HA 0.465 4.815 4.350 -0.000 0.000 0.293 120 T C 1.343 176.094 174.700 0.086 0.000 0.970 120 T CA 0.933 63.104 62.100 0.117 0.000 1.168 120 T CB 0.354 69.282 68.868 0.100 0.000 0.911 120 T HN 0.868 nan 8.240 nan 0.000 0.535 121 G N 2.847 111.675 108.800 0.047 0.000 2.213 121 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.236 121 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.236 121 G C 0.072 175.003 174.900 0.053 0.000 0.991 121 G CA -0.069 45.035 45.100 0.007 0.000 0.629 121 G HN 0.802 nan 8.290 nan 0.000 0.517 122 Y N 1.476 121.782 120.300 0.010 0.000 2.702 122 Y HA 0.329 4.879 4.550 -0.000 0.000 0.336 122 Y C 1.584 177.485 175.900 0.001 0.000 1.235 122 Y CA 1.339 59.447 58.100 0.015 0.000 1.492 122 Y CB 0.653 39.114 38.460 0.003 0.000 1.308 122 Y HN 1.505 nan 8.280 nan 0.000 0.589 123 G N 3.029 111.220 108.800 -1.014 0.000 2.166 123 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 123 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 123 G C 0.258 175.004 174.900 -0.255 0.000 0.986 123 G CA 0.631 45.308 45.100 -0.705 0.000 0.683 123 G HN 0.894 nan 8.290 nan 0.000 0.527 124 T N -0.983 113.479 114.554 -0.153 0.000 2.927 124 T HA 0.573 4.923 4.350 -0.000 0.000 0.286 124 T C 1.882 176.596 174.700 0.023 0.000 1.040 124 T CA -0.336 61.755 62.100 -0.016 0.000 1.010 124 T CB 1.257 70.105 68.868 -0.032 0.000 1.177 124 T HN 0.063 nan 8.240 nan 0.000 0.546 125 L N 1.432 122.735 121.223 0.133 0.000 2.127 125 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 125 L C 2.552 179.465 176.870 0.072 0.000 1.089 125 L CA 1.066 55.989 54.840 0.140 0.000 0.757 125 L CB -0.522 41.711 42.059 0.291 0.000 0.899 125 L HN 0.483 nan 8.230 nan 0.000 0.434 126 V N -0.362 119.565 119.914 0.022 0.000 2.287 126 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 126 V C 2.491 178.588 176.094 0.005 0.000 1.053 126 V CA 2.167 64.459 62.300 -0.014 0.000 1.027 126 V CB -0.591 31.189 31.823 -0.072 0.000 0.646 126 V HN 0.573 nan 8.190 nan 0.000 0.447 127 Q N -0.497 119.307 119.800 0.006 0.000 2.137 127 Q HA -0.164 4.176 4.340 -0.000 0.000 0.198 127 Q C 2.083 178.097 176.000 0.024 0.000 0.960 127 Q CA 1.307 57.128 55.803 0.031 0.000 0.847 127 Q CB 0.011 28.772 28.738 0.038 0.000 0.915 127 Q HN 0.616 nan 8.270 nan 0.000 0.448 128 E N -0.020 120.181 120.200 0.002 0.000 2.299 128 E HA 0.127 4.476 4.350 -0.000 0.000 0.193 128 E C 0.712 177.324 176.600 0.020 0.000 0.998 128 E CA 0.773 57.177 56.400 0.006 0.000 0.851 128 E CB 0.303 29.996 29.700 -0.011 0.000 0.795 128 E HN 0.473 nan 8.360 nan 0.000 0.492 129 G N -0.662 108.155 108.800 0.028 0.000 2.746 129 G HA2 0.019 3.979 3.960 -0.000 0.000 0.685 129 G HA3 0.019 3.979 3.960 -0.000 0.000 0.685 129 G C 0.589 175.511 174.900 0.037 0.000 1.350 129 G CA -0.143 44.974 45.100 0.029 0.000 0.837 129 G HN 0.583 nan 8.290 nan 0.000 0.564 130 G N -1.670 107.150 108.800 0.034 0.000 2.184 130 G HA2 0.137 4.097 3.960 -0.000 0.000 0.206 130 G HA3 0.137 4.097 3.960 -0.000 0.000 0.206 130 G C 0.844 175.771 174.900 0.046 0.000 0.995 130 G CA 1.385 46.505 45.100 0.033 0.000 0.651 130 G HN 2.347 nan 8.290 nan 0.000 0.511 131 S N 2.780 118.523 115.700 0.073 0.000 2.533 131 S HA 0.502 4.972 4.470 -0.000 0.000 0.282 131 S C -1.783 172.840 174.600 0.038 0.000 1.304 131 S CA -0.431 57.836 58.200 0.112 0.000 1.063 131 S CB 0.869 64.164 63.200 0.158 0.000 0.881 131 S HN 0.308 nan 8.310 nan 0.000 0.493 132 P HA 0.130 nan 4.420 nan 0.000 0.269 132 P C 0.323 177.576 177.300 -0.077 0.000 1.252 132 P CA 0.091 63.077 63.100 -0.191 0.000 0.780 132 P CB 0.329 31.722 31.700 -0.512 0.000 0.829 133 I N 2.497 123.022 120.570 -0.076 0.000 2.731 133 I HA 0.079 4.249 4.170 -0.000 0.000 0.260 133 I C 1.282 177.405 176.117 0.010 0.000 1.138 133 I CA 0.912 62.201 61.300 -0.018 0.000 1.461 133 I CB 0.183 38.170 38.000 -0.021 0.000 1.128 133 I HN 0.307 nan 8.210 nan 0.000 0.438 134 K N 0.339 120.707 120.400 -0.053 0.000 2.581 134 K HA 0.322 4.642 4.320 -0.000 0.000 0.249 134 K C -1.636 174.935 176.600 -0.049 0.000 0.966 134 K CA -0.532 55.763 56.287 0.014 0.000 0.811 134 K CB 1.553 34.074 32.500 0.035 0.000 1.223 134 K HN -0.222 nan 8.250 nan 0.000 0.438 135 Y N 1.382 121.744 120.300 0.102 0.000 2.392 135 Y HA 0.239 4.789 4.550 -0.001 0.000 0.323 135 Y C 0.674 176.590 175.900 0.026 0.000 1.291 135 Y CA -0.270 57.847 58.100 0.028 0.000 1.345 135 Y CB 1.126 39.564 38.460 -0.036 0.000 1.320 135 Y HN 0.567 nan 8.280 nan 0.000 0.518 136 N N 0.305 119.121 118.700 0.194 0.000 2.790 136 N HA 0.281 5.021 4.740 -0.000 0.000 0.256 136 N C -0.760 174.789 175.510 0.065 0.000 1.409 136 N CA -0.661 52.451 53.050 0.104 0.000 0.799 136 N CB 0.838 39.368 38.487 0.071 0.000 1.170 136 N HN 0.462 nan 8.380 nan 0.000 0.507 137 K N -0.316 120.115 120.400 0.051 0.000 3.363 137 K HA -0.226 4.094 4.320 -0.000 0.000 0.313 137 K C -1.289 175.303 176.600 -0.013 0.000 1.259 137 K CA 1.586 57.880 56.287 0.011 0.000 0.942 137 K CB -1.110 31.396 32.500 0.011 0.000 1.229 137 K HN 0.761 nan 8.250 nan 0.000 0.440 138 D N -3.527 116.870 120.400 -0.005 0.000 2.610 138 D HA 0.484 5.124 4.640 -0.000 0.000 0.271 138 D C 1.206 177.473 176.300 -0.056 0.000 1.174 138 D CA -0.127 53.855 54.000 -0.030 0.000 0.949 138 D CB 0.879 41.680 40.800 0.001 0.000 1.430 138 D HN -0.076 nan 8.370 nan 0.000 0.467 139 G N -0.457 108.295 108.800 -0.080 0.000 2.471 139 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.219 139 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.219 139 G C 0.505 175.462 174.900 0.095 0.000 1.125 139 G CA 0.641 45.681 45.100 -0.100 0.000 0.775 139 G HN 0.450 nan 8.290 nan 0.000 0.548 140 S N -0.105 115.644 115.700 0.082 0.000 2.563 140 S HA 0.319 4.789 4.470 -0.000 0.000 0.284 140 S C 0.023 174.730 174.600 0.178 0.000 1.331 140 S CA -0.382 57.879 58.200 0.102 0.000 1.047 140 S CB 1.030 64.264 63.200 0.057 0.000 0.859 140 S HN 0.162 nan 8.310 nan 0.000 0.514 141 I N 2.311 122.946 120.570 0.109 0.000 2.321 141 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 141 I C 1.125 177.255 176.117 0.022 0.000 0.998 141 I CA -0.672 60.653 61.300 0.042 0.000 1.227 141 I CB 1.349 39.334 38.000 -0.024 0.000 1.368 141 I HN 0.896 nan 8.210 nan 0.000 0.466 142 A N 7.423 130.253 122.820 0.017 0.000 1.878 142 A HA 0.301 4.621 4.320 -0.000 0.000 0.213 142 A C 0.917 178.501 177.584 0.000 0.000 1.192 142 A CA 0.965 53.014 52.037 0.019 0.000 0.619 142 A CB 0.102 19.123 19.000 0.036 0.000 0.837 142 A HN 0.629 nan 8.150 nan 0.000 0.446 143 I N -0.033 120.525 120.570 -0.020 0.000 2.439 143 I HA 0.523 4.693 4.170 -0.000 0.000 0.285 143 I C -0.300 175.793 176.117 -0.039 0.000 1.021 143 I CA -0.535 60.753 61.300 -0.021 0.000 1.091 143 I CB 1.876 39.869 38.000 -0.013 0.000 1.242 143 I HN 0.196 nan 8.210 nan 0.000 0.439 144 A N 4.541 127.347 122.820 -0.024 0.000 2.317 144 A HA 0.691 5.011 4.320 -0.000 0.000 0.327 144 A C 0.327 177.908 177.584 -0.005 0.000 1.178 144 A CA -0.520 51.505 52.037 -0.020 0.000 0.817 144 A CB 1.064 20.058 19.000 -0.010 0.000 1.189 144 A HN 0.782 nan 8.150 nan 0.000 0.489 145 S N 2.171 117.873 115.700 0.003 0.000 2.566 145 S HA 0.225 4.695 4.470 -0.000 0.000 0.280 145 S C -0.065 174.542 174.600 0.011 0.000 1.343 145 S CA 0.169 58.374 58.200 0.009 0.000 1.036 145 S CB 0.212 63.425 63.200 0.022 0.000 0.866 145 S HN 0.637 nan 8.310 nan 0.000 0.526 146 K N 1.803 122.207 120.400 0.007 0.000 2.118 146 K HA 0.494 4.814 4.320 -0.000 0.000 0.254 146 K C -2.445 174.162 176.600 0.012 0.000 0.961 146 K CA -2.413 53.880 56.287 0.009 0.000 0.876 146 K CB 0.926 33.429 32.500 0.005 0.000 1.077 146 K HN 0.549 nan 8.250 nan 0.000 0.440 147 P HA 0.009 nan 4.420 nan 0.000 0.266 147 P C -0.869 176.447 177.300 0.025 0.000 1.195 147 P CA 0.003 63.118 63.100 0.025 0.000 0.768 147 P CB 0.636 32.354 31.700 0.030 0.000 0.838 148 R N 2.010 122.531 120.500 0.036 0.000 2.428 148 R HA 0.310 4.650 4.340 -0.000 0.000 0.294 148 R C 0.524 176.871 176.300 0.078 0.000 1.000 148 R CA -0.776 55.345 56.100 0.034 0.000 0.960 148 R CB 0.585 30.901 30.300 0.027 0.000 1.076 148 R HN 0.541 nan 8.270 nan 0.000 0.475 149 E N 0.896 121.143 120.200 0.079 0.000 2.392 149 E HA 0.132 4.482 4.350 -0.000 0.000 0.264 149 E C -0.389 176.348 176.600 0.227 0.000 1.024 149 E CA -0.113 56.367 56.400 0.134 0.000 0.903 149 E CB 0.933 30.710 29.700 0.128 0.000 0.963 149 E HN 0.108 nan 8.360 nan 0.000 0.432 150 V N 3.312 123.361 119.914 0.225 0.000 2.459 150 V HA 0.486 4.606 4.120 -0.000 0.000 0.295 150 V C -0.055 176.137 176.094 0.162 0.000 1.029 150 V CA -0.578 61.877 62.300 0.257 0.000 0.874 150 V CB 1.546 33.549 31.823 0.301 0.000 0.985 150 V HN 0.609 nan 8.190 nan 0.000 0.438 151 R N 3.075 123.634 120.500 0.098 0.000 2.626 151 R HA 0.511 4.851 4.340 -0.000 0.000 0.274 151 R C -1.001 175.159 176.300 -0.232 0.000 1.031 151 R CA -0.615 55.397 56.100 -0.148 0.000 0.898 151 R CB 2.281 32.413 30.300 -0.280 0.000 1.222 151 R HN 0.937 nan 8.270 nan 0.000 0.455 152 E N 3.709 123.628 120.200 -0.469 0.000 2.191 152 E HA 0.394 4.743 4.350 -0.000 0.000 0.274 152 E C -1.481 174.828 176.600 -0.486 0.000 0.948 152 E CA -0.599 55.547 56.400 -0.423 0.000 0.802 152 E CB 1.300 30.597 29.700 -0.670 0.000 1.137 152 E HN 0.292 nan 8.360 nan 0.000 0.397 153 F N 1.553 121.516 119.950 0.021 0.000 2.539 153 F HA 0.285 4.812 4.527 -0.000 0.000 0.318 153 F C -0.349 175.497 175.800 0.077 0.000 1.135 153 F CA -1.094 56.908 58.000 0.003 0.000 0.915 153 F CB 1.737 40.675 39.000 -0.103 0.000 1.176 153 F HN 0.665 nan 8.300 nan 0.000 0.440 154 N N 1.381 120.167 118.700 0.144 0.000 2.725 154 N HA -0.154 4.586 4.740 -0.000 0.000 0.251 154 N C 0.919 176.471 175.510 0.069 0.000 1.031 154 N CA 0.838 53.947 53.050 0.098 0.000 0.720 154 N CB -1.118 37.446 38.487 0.128 0.000 0.930 154 N HN 1.239 nan 8.380 nan 0.000 0.543 155 G N -1.500 107.306 108.800 0.010 0.000 2.184 155 G HA2 -0.411 3.548 3.960 -0.000 0.000 0.264 155 G HA3 -0.411 3.548 3.960 -0.000 0.000 0.264 155 G C -0.063 174.826 174.900 -0.019 0.000 0.975 155 G CA 0.820 45.912 45.100 -0.013 0.000 0.642 155 G HN 0.714 nan 8.290 nan 0.000 0.536 156 Q N -0.442 119.344 119.800 -0.023 0.000 2.297 156 Q HA 0.613 4.953 4.340 -0.000 0.000 0.268 156 Q C -0.779 174.995 176.000 -0.375 0.000 1.045 156 Q CA -0.924 54.782 55.803 -0.161 0.000 0.861 156 Q CB 1.041 29.634 28.738 -0.241 0.000 1.344 156 Q HN 0.477 nan 8.270 nan 0.000 0.452 157 H N 1.065 119.721 119.070 -0.691 0.000 2.473 157 H HA 0.444 5.000 4.556 -0.000 0.000 0.327 157 H C -1.230 173.537 175.328 -0.935 0.000 1.105 157 H CA 0.208 55.777 56.048 -0.798 0.000 1.280 157 H CB 0.573 29.512 29.762 -1.371 0.000 1.450 157 H HN 0.358 nan 8.280 nan 0.000 0.492 158 F N 1.853 121.752 119.950 -0.084 0.000 2.603 158 F HA 0.465 4.992 4.527 0.000 0.000 0.317 158 F C -0.077 175.865 175.800 0.237 0.000 1.066 158 F CA -1.176 56.883 58.000 0.100 0.000 0.941 158 F CB 1.499 40.591 39.000 0.153 0.000 1.291 158 F HN 0.370 nan 8.300 nan 0.000 0.472 159 I N 0.505 121.365 120.570 0.484 0.000 2.646 159 I HA 0.670 4.840 4.170 -0.000 0.000 0.299 159 I C -1.514 174.727 176.117 0.207 0.000 1.036 159 I CA -1.219 60.297 61.300 0.359 0.000 1.074 159 I CB 2.039 40.177 38.000 0.230 0.000 1.258 159 I HN 0.436 nan 8.210 nan 0.000 0.430 160 L N 4.484 125.714 121.223 0.011 0.000 2.290 160 L HA 0.451 4.791 4.340 -0.000 0.000 0.284 160 L C -0.368 176.268 176.870 -0.390 0.000 1.078 160 L CA 0.626 55.199 54.840 -0.445 0.000 0.815 160 L CB 0.352 42.149 42.059 -0.437 0.000 1.162 160 L HN 0.581 nan 8.230 nan 0.000 0.435 161 E N 4.547 124.356 120.200 -0.652 0.000 2.222 161 E HA 0.371 4.721 4.350 -0.000 0.000 0.267 161 E C -0.977 175.315 176.600 -0.513 0.000 0.884 161 E CA -0.533 55.523 56.400 -0.573 0.000 0.764 161 E CB 1.773 31.034 29.700 -0.732 0.000 1.169 161 E HN 0.597 nan 8.360 nan 0.000 0.413 162 E N 0.730 120.797 120.200 -0.221 0.000 2.248 162 E HA 0.538 4.888 4.350 -0.000 0.000 0.272 162 E C -0.373 176.246 176.600 0.032 0.000 1.008 162 E CA -0.860 55.487 56.400 -0.088 0.000 0.856 162 E CB 1.566 31.229 29.700 -0.061 0.000 1.120 162 E HN 0.511 nan 8.360 nan 0.000 0.397 163 A N 2.697 125.569 122.820 0.087 0.000 2.483 163 A HA 0.206 4.526 4.320 -0.000 0.000 0.238 163 A C -0.092 177.531 177.584 0.066 0.000 1.070 163 A CA 0.200 52.305 52.037 0.113 0.000 0.770 163 A CB 0.026 19.078 19.000 0.086 0.000 1.008 163 A HN 0.542 nan 8.150 nan 0.000 0.497 164 I N 1.852 122.463 120.570 0.068 0.000 2.433 164 I HA 0.536 4.706 4.170 -0.000 0.000 0.292 164 I C 0.219 176.359 176.117 0.038 0.000 1.001 164 I CA -0.446 60.882 61.300 0.047 0.000 1.119 164 I CB 1.600 39.632 38.000 0.052 0.000 1.289 164 I HN 0.903 nan 8.210 nan 0.000 0.438 165 R N 4.524 125.042 120.500 0.029 0.000 2.535 165 R HA 0.688 5.028 4.340 -0.000 0.000 0.274 165 R C -1.036 175.279 176.300 0.024 0.000 1.090 165 R CA -0.730 55.385 56.100 0.025 0.000 0.930 165 R CB 1.450 31.763 30.300 0.021 0.000 1.223 165 R HN 0.631 nan 8.270 nan 0.000 0.441 166 G N 0.568 109.386 108.800 0.030 0.000 2.531 166 G HA2 0.195 4.155 3.960 -0.000 0.000 0.313 166 G HA3 0.195 4.155 3.960 -0.000 0.000 0.313 166 G C -0.146 174.767 174.900 0.023 0.000 1.238 166 G CA -0.613 44.511 45.100 0.040 0.000 0.994 166 G HN 0.714 nan 8.290 nan 0.000 0.493 167 D N -1.025 119.408 120.400 0.054 0.000 2.194 167 D HA 0.059 4.699 4.640 -0.000 0.000 0.204 167 D C -0.142 176.029 176.300 -0.214 0.000 0.964 167 D CA 1.216 55.206 54.000 -0.017 0.000 0.846 167 D CB 0.286 41.180 40.800 0.156 0.000 0.962 167 D HN 0.143 nan 8.370 nan 0.000 0.490 168 F N -0.480 119.484 119.950 0.023 0.000 2.643 168 F HA 0.551 5.078 4.527 -0.000 0.000 0.314 168 F C -0.645 175.168 175.800 0.021 0.000 1.096 168 F CA -1.159 56.856 58.000 0.027 0.000 0.953 168 F CB 2.024 41.029 39.000 0.007 0.000 1.345 168 F HN -0.307 nan 8.300 nan 0.000 0.468 169 A N 2.193 125.147 122.820 0.223 0.000 2.398 169 A HA 0.817 5.137 4.320 -0.000 0.000 0.301 169 A C -1.801 175.856 177.584 0.122 0.000 1.041 169 A CA -0.555 51.559 52.037 0.129 0.000 0.711 169 A CB 1.064 20.109 19.000 0.075 0.000 1.240 169 A HN 0.712 nan 8.150 nan 0.000 0.420 170 L N 3.820 125.095 121.223 0.086 0.000 2.313 170 L HA 0.547 4.886 4.340 -0.000 0.000 0.273 170 L C -0.107 176.807 176.870 0.073 0.000 1.028 170 L CA -0.855 54.024 54.840 0.065 0.000 0.871 170 L CB 1.104 43.181 42.059 0.028 0.000 1.242 170 L HN 0.615 nan 8.230 nan 0.000 0.434 171 V N 0.714 120.684 119.914 0.094 0.000 2.667 171 V HA 0.699 4.819 4.120 -0.000 0.000 0.308 171 V C -0.444 175.750 176.094 0.167 0.000 1.048 171 V CA -0.719 61.662 62.300 0.134 0.000 0.928 171 V CB 2.101 34.023 31.823 0.166 0.000 1.004 171 V HN 0.639 nan 8.190 nan 0.000 0.444 172 K N 3.657 124.182 120.400 0.208 0.000 2.182 172 K HA 0.917 5.237 4.320 -0.000 0.000 0.262 172 K C -0.514 176.287 176.600 0.335 0.000 0.957 172 K CA 0.308 56.730 56.287 0.225 0.000 0.842 172 K CB 1.292 33.907 32.500 0.192 0.000 1.099 172 K HN 1.413 nan 8.250 nan 0.000 0.438 173 A N 3.044 126.009 122.820 0.241 0.000 2.564 173 A HA 0.527 4.847 4.320 -0.000 0.000 0.288 173 A C -0.668 177.005 177.584 0.149 0.000 1.164 173 A CA -0.735 51.407 52.037 0.174 0.000 0.712 173 A CB 0.182 19.074 19.000 -0.180 0.000 1.303 173 A HN 0.872 nan 8.150 nan 0.000 0.418 174 W N 0.751 121.980 121.300 -0.120 0.000 2.539 174 W HA 0.323 4.983 4.660 -0.000 0.000 0.315 174 W C 0.195 176.680 176.519 -0.057 0.000 1.148 174 W CA 1.209 58.502 57.345 -0.086 0.000 1.403 174 W CB -0.074 29.351 29.460 -0.057 0.000 1.168 174 W HN 0.569 nan 8.180 nan 0.000 0.489 175 K N -0.491 119.823 120.400 -0.143 0.000 2.400 175 K HA 0.669 4.989 4.320 -0.000 0.000 0.246 175 K C -1.348 175.260 176.600 0.014 0.000 0.995 175 K CA -0.819 55.365 56.287 -0.171 0.000 0.840 175 K CB 2.152 34.466 32.500 -0.309 0.000 1.293 175 K HN -0.141 nan 8.250 nan 0.000 0.445 176 A N 1.645 124.539 122.820 0.124 0.000 2.459 176 A HA 0.402 4.722 4.320 -0.000 0.000 0.296 176 A C -1.523 176.162 177.584 0.169 0.000 1.039 176 A CA -0.911 51.234 52.037 0.181 0.000 0.698 176 A CB 0.912 19.954 19.000 0.071 0.000 1.261 176 A HN 0.799 nan 8.150 nan 0.000 0.405 177 D N 1.112 121.637 120.400 0.209 0.000 2.383 177 D HA 0.229 4.869 4.640 -0.000 0.000 0.248 177 D C 0.665 177.047 176.300 0.136 0.000 1.170 177 D CA -0.380 53.594 54.000 -0.042 0.000 0.977 177 D CB 0.451 41.138 40.800 -0.189 0.000 1.120 177 D HN 0.487 nan 8.370 nan 0.000 0.481 178 Q N -0.518 119.308 119.800 0.044 0.000 2.541 178 Q HA -0.009 4.331 4.340 -0.000 0.000 0.215 178 Q C 1.330 177.405 176.000 0.125 0.000 0.977 178 Q CA 0.898 56.720 55.803 0.031 0.000 0.934 178 Q CB -0.087 28.558 28.738 -0.155 0.000 0.988 178 Q HN 0.622 nan 8.270 nan 0.000 0.521 179 A N -0.366 122.552 122.820 0.162 0.000 2.147 179 A HA 0.326 4.646 4.320 -0.000 0.000 0.211 179 A C 1.575 179.307 177.584 0.246 0.000 1.160 179 A CA 0.913 53.048 52.037 0.162 0.000 0.781 179 A CB 0.249 19.302 19.000 0.087 0.000 0.842 179 A HN 0.418 nan 8.150 nan 0.000 0.475 180 G N -0.916 108.052 108.800 0.279 0.000 2.192 180 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.193 180 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.193 180 G C -0.220 174.734 174.900 0.090 0.000 0.999 180 G CA -0.119 45.067 45.100 0.145 0.000 0.659 180 G HN 0.373 nan 8.290 nan 0.000 0.503 181 N N 0.664 119.448 118.700 0.141 0.000 2.483 181 N HA 0.386 5.126 4.740 -0.000 0.000 0.264 181 N C -0.048 175.495 175.510 0.054 0.000 1.197 181 N CA 0.452 53.568 53.050 0.110 0.000 0.927 181 N CB 1.960 40.564 38.487 0.195 0.000 1.065 181 N HN 0.169 nan 8.380 nan 0.000 0.461 182 V N 1.315 121.141 119.914 -0.148 0.000 2.628 182 V HA 0.531 4.651 4.120 -0.000 0.000 0.306 182 V C 0.367 176.071 176.094 -0.650 0.000 1.045 182 V CA -0.649 61.446 62.300 -0.341 0.000 0.905 182 V CB 1.997 33.644 31.823 -0.293 0.000 0.997 182 V HN 0.847 nan 8.190 nan 0.000 0.436 183 T N 0.755 114.830 114.554 -0.798 0.000 2.906 183 T HA 0.816 5.166 4.350 -0.000 0.000 0.295 183 T C -1.069 173.342 174.700 -0.483 0.000 1.075 183 T CA -0.547 61.083 62.100 -0.784 0.000 1.005 183 T CB 1.753 70.020 68.868 -1.003 0.000 1.136 183 T HN 0.161 nan 8.240 nan 0.000 0.498 184 F N 0.110 120.361 119.950 0.501 0.000 2.538 184 F HA 0.689 5.216 4.527 -0.000 0.000 0.325 184 F C 0.607 176.556 175.800 0.249 0.000 1.066 184 F CA -1.233 56.952 58.000 0.308 0.000 0.946 184 F CB 1.997 41.077 39.000 0.133 0.000 1.199 184 F HN 0.544 nan 8.300 nan 0.000 0.473 185 R N 2.489 123.084 120.500 0.157 0.000 2.460 185 R HA 0.358 4.698 4.340 -0.000 0.000 0.303 185 R C -0.048 175.994 176.300 -0.430 0.000 0.968 185 R CA -0.406 55.512 56.100 -0.302 0.000 0.889 185 R CB 0.752 30.504 30.300 -0.914 0.000 1.123 185 R HN 0.687 nan 8.270 nan 0.000 0.455 186 K N 0.541 120.525 120.400 -0.693 0.000 2.004 186 K HA -0.268 4.052 4.320 -0.000 0.000 0.116 186 K C 0.847 176.731 176.600 -1.194 0.000 1.340 186 K CA 1.985 57.430 56.287 -1.405 0.000 0.509 186 K CB -1.708 30.318 32.500 -0.791 0.000 0.538 186 K HN 0.817 nan 8.250 nan 0.000 0.955 187 S N 0.513 115.766 115.700 -0.745 0.000 2.671 187 S HA 0.293 4.763 4.470 -0.000 0.000 0.220 187 S C 1.480 175.949 174.600 -0.219 0.000 0.951 187 S CA 0.694 58.670 58.200 -0.373 0.000 0.932 187 S CB 0.207 63.287 63.200 -0.201 0.000 0.777 187 S HN 0.645 nan 8.310 nan 0.000 0.508 188 A N 1.656 124.355 122.820 -0.202 0.000 2.209 188 A HA 0.141 4.461 4.320 -0.000 0.000 0.212 188 A C 2.172 179.720 177.584 -0.059 0.000 1.158 188 A CA 0.559 52.556 52.037 -0.066 0.000 0.742 188 A CB -0.508 18.465 19.000 -0.044 0.000 0.790 188 A HN 0.569 nan 8.150 nan 0.000 0.472 189 R N 0.656 121.055 120.500 -0.169 0.000 2.064 189 R HA -0.194 4.146 4.340 -0.000 0.000 0.228 189 R C 1.719 177.805 176.300 -0.357 0.000 1.144 189 R CA 1.783 57.644 56.100 -0.400 0.000 0.932 189 R CB -0.479 29.600 30.300 -0.368 0.000 0.833 189 R HN 0.732 nan 8.270 nan 0.000 0.429 190 N N -0.883 117.675 118.700 -0.237 0.000 1.109 190 N HA -0.356 4.384 4.740 -0.000 0.000 0.142 190 N C 0.957 176.346 175.510 -0.201 0.000 0.434 190 N CA 2.612 55.570 53.050 -0.153 0.000 0.976 190 N CB -1.495 37.053 38.487 0.101 0.000 1.494 190 N HN 0.218 nan 8.380 nan 0.000 0.474 191 F N 0.162 120.078 119.950 -0.057 0.000 2.615 191 F HA 0.218 4.745 4.527 -0.000 0.000 0.297 191 F C 2.203 177.928 175.800 -0.125 0.000 1.124 191 F CA 0.236 58.203 58.000 -0.055 0.000 1.451 191 F CB -0.372 38.639 39.000 0.017 0.000 1.103 191 F HN 0.258 nan 8.300 nan 0.000 0.569 192 N N 0.713 119.382 118.700 -0.052 0.000 2.094 192 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 192 N C 2.106 177.476 175.510 -0.234 0.000 1.023 192 N CA 1.272 54.245 53.050 -0.129 0.000 0.857 192 N CB -0.607 37.773 38.487 -0.177 0.000 1.013 192 N HN 0.338 nan 8.380 nan 0.000 0.426 193 L N 1.810 122.715 121.223 -0.531 0.000 1.976 193 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 193 L C -1.371 175.400 176.870 -0.164 0.000 1.071 193 L CA 0.999 55.638 54.840 -0.334 0.000 0.746 193 L CB -1.172 40.655 42.059 -0.387 0.000 0.890 193 L HN 0.102 nan 8.230 nan 0.000 0.432 197 K N 0.512 120.757 120.400 -0.257 0.000 2.402 197 K HA 0.460 4.780 4.320 -0.000 0.000 0.203 197 K C 0.827 177.353 176.600 -0.124 0.000 1.077 197 K CA 0.784 56.852 56.287 -0.365 0.000 1.051 197 K CB 0.832 32.941 32.500 -0.651 0.000 0.907 197 K HN 0.249 nan 8.250 nan 0.000 0.554 198 A N 1.383 124.162 122.820 -0.067 0.000 2.827 198 A HA 0.633 4.953 4.320 -0.000 0.000 0.300 198 A C -0.194 177.397 177.584 0.013 0.000 1.237 198 A CA -0.323 51.705 52.037 -0.014 0.000 0.964 198 A CB 0.210 19.204 19.000 -0.011 0.000 1.143 198 A HN 0.155 nan 8.150 nan 0.000 0.554 199 A N -0.882 121.953 122.820 0.025 0.000 2.475 199 A HA 0.639 4.959 4.320 -0.000 0.000 0.301 199 A C 0.743 178.345 177.584 0.030 0.000 1.059 199 A CA -0.313 51.736 52.037 0.019 0.000 0.710 199 A CB 0.823 19.837 19.000 0.024 0.000 1.288 199 A HN 0.068 nan 8.150 nan 0.000 0.408 200 E N 0.648 120.813 120.200 -0.059 0.000 2.070 200 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 200 E C 0.001 176.515 176.600 -0.144 0.000 1.004 200 E CA 1.718 58.049 56.400 -0.114 0.000 0.805 200 E CB 0.085 29.663 29.700 -0.202 0.000 0.744 200 E HN 0.663 nan 8.360 nan 0.000 0.451 201 T N 0.815 115.210 114.554 -0.265 0.000 2.847 201 T HA 0.301 4.651 4.350 -0.000 0.000 0.291 201 T C -0.614 174.137 174.700 0.085 0.000 0.998 201 T CA -0.418 61.596 62.100 -0.144 0.000 0.967 201 T CB 1.911 70.385 68.868 -0.658 0.000 0.954 201 T HN -0.185 nan 8.240 nan 0.000 0.441 202 T N 3.151 117.907 114.554 0.337 0.000 2.767 202 T HA 0.535 4.885 4.350 -0.000 0.000 0.284 202 T C -0.172 174.577 174.700 0.081 0.000 0.973 202 T CA -0.503 61.637 62.100 0.067 0.000 0.996 202 T CB 0.878 69.620 68.868 -0.212 0.000 0.927 202 T HN 0.336 nan 8.240 nan 0.000 0.456 203 V N 4.394 124.361 119.914 0.088 0.000 2.407 203 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 203 V C -0.232 175.882 176.094 0.034 0.000 1.018 203 V CA -0.791 61.537 62.300 0.047 0.000 0.842 203 V CB 1.624 33.474 31.823 0.046 0.000 0.996 203 V HN 0.677 nan 8.190 nan 0.000 0.426 204 V N 5.090 125.011 119.914 0.011 0.000 2.459 204 V HA 0.515 4.635 4.120 -0.000 0.000 0.295 204 V C -0.061 176.055 176.094 0.037 0.000 1.029 204 V CA -0.607 61.714 62.300 0.034 0.000 0.874 204 V CB 1.936 33.767 31.823 0.013 0.000 0.985 204 V HN 1.059 nan 8.190 nan 0.000 0.438 205 E N 4.492 124.746 120.200 0.089 0.000 2.158 205 E HA 0.725 5.075 4.350 -0.000 0.000 0.271 205 E C -0.944 175.763 176.600 0.178 0.000 0.911 205 E CA -0.750 55.729 56.400 0.132 0.000 0.767 205 E CB 2.181 31.977 29.700 0.159 0.000 1.120 205 E HN 0.485 nan 8.360 nan 0.000 0.405 206 V N 0.306 120.325 119.914 0.175 0.000 2.919 206 V HA 0.372 4.492 4.120 -0.000 0.000 0.316 206 V C 0.631 176.855 176.094 0.216 0.000 1.077 206 V CA -0.785 61.605 62.300 0.150 0.000 0.977 206 V CB 1.681 33.550 31.823 0.076 0.000 1.039 206 V HN 0.869 nan 8.190 nan 0.000 0.441 207 E N 0.554 120.820 120.200 0.109 0.000 2.216 207 E HA 0.111 4.461 4.350 -0.000 0.000 0.192 207 E C 0.422 177.121 176.600 0.164 0.000 0.988 207 E CA 0.929 57.394 56.400 0.108 0.000 0.834 207 E CB 0.429 30.123 29.700 -0.011 0.000 0.772 207 E HN 0.821 nan 8.360 nan 0.000 0.479 208 E N 0.075 120.331 120.200 0.094 0.000 2.372 208 E HA 0.343 4.693 4.350 -0.000 0.000 0.279 208 E C -1.518 175.093 176.600 0.017 0.000 0.946 208 E CA -0.429 55.998 56.400 0.045 0.000 0.769 208 E CB 1.725 31.415 29.700 -0.017 0.000 1.230 208 E HN -0.068 nan 8.360 nan 0.000 0.442 209 I N 3.673 124.262 120.570 0.032 0.000 2.382 209 I HA 0.310 4.479 4.170 -0.000 0.000 0.285 209 I C -0.247 175.850 176.117 -0.034 0.000 1.007 209 I CA -0.741 60.586 61.300 0.045 0.000 1.142 209 I CB 1.649 39.728 38.000 0.132 0.000 1.289 209 I HN 0.224 nan 8.210 nan 0.000 0.453 210 V N 6.219 126.064 119.914 -0.115 0.000 2.975 210 V HA 0.423 4.543 4.120 -0.000 0.000 0.318 210 V C -0.755 175.208 176.094 -0.217 0.000 1.077 210 V CA -0.479 61.698 62.300 -0.206 0.000 1.000 210 V CB 2.297 33.909 31.823 -0.352 0.000 1.066 210 V HN 0.784 nan 8.190 nan 0.000 0.452 211 D N 3.267 123.541 120.400 -0.210 0.000 2.312 211 D HA 0.283 4.922 4.640 -0.000 0.000 0.248 211 D C 0.267 176.430 176.300 -0.228 0.000 1.086 211 D CA -0.467 53.424 54.000 -0.181 0.000 0.948 211 D CB 0.552 41.271 40.800 -0.135 0.000 1.162 211 D HN 0.484 nan 8.370 nan 0.000 0.446 212 I N 0.485 120.957 120.570 -0.162 0.000 2.906 212 I HA 0.129 4.299 4.170 -0.000 0.000 0.302 212 I C 1.737 177.765 176.117 -0.147 0.000 1.220 212 I CA 1.338 62.554 61.300 -0.140 0.000 1.441 212 I CB -0.223 37.733 38.000 -0.075 0.000 1.336 212 I HN 0.848 nan 8.210 nan 0.000 0.565 213 G N 3.483 112.193 108.800 -0.150 0.000 2.195 213 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.224 213 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.224 213 G C 0.899 175.701 174.900 -0.163 0.000 0.990 213 G CA 0.315 45.346 45.100 -0.114 0.000 0.639 213 G HN 0.571 nan 8.290 nan 0.000 0.514 214 S N -0.179 115.324 115.700 -0.328 0.000 2.428 214 S HA 0.318 4.787 4.470 -0.000 0.000 0.230 214 S C 0.642 175.070 174.600 -0.286 0.000 1.014 214 S CA 0.663 58.624 58.200 -0.399 0.000 0.957 214 S CB -0.076 62.725 63.200 -0.666 0.000 0.784 214 S HN 0.384 nan 8.310 nan 0.000 0.499 215 F N 1.293 121.187 119.950 -0.093 0.000 2.425 215 F HA 0.655 5.182 4.527 -0.000 0.000 0.331 215 F C 0.474 176.239 175.800 -0.058 0.000 1.085 215 F CA -2.345 55.597 58.000 -0.095 0.000 1.028 215 F CB 0.414 39.340 39.000 -0.123 0.000 1.177 215 F HN -0.105 nan 8.300 nan 0.000 0.487 216 A N 4.871 127.790 122.820 0.165 0.000 2.409 216 A HA 0.371 4.691 4.320 -0.000 0.000 0.267 216 A C -1.394 176.240 177.584 0.083 0.000 1.127 216 A CA -1.228 50.862 52.037 0.089 0.000 0.795 216 A CB -0.132 18.910 19.000 0.070 0.000 1.061 216 A HN 0.583 nan 8.150 nan 0.000 0.502 217 P HA -0.239 nan 4.420 nan 0.000 0.218 217 P C 0.866 178.191 177.300 0.042 0.000 1.152 217 P CA 1.387 64.519 63.100 0.054 0.000 0.857 217 P CB 0.244 31.967 31.700 0.039 0.000 0.787 218 E N -0.615 119.610 120.200 0.042 0.000 2.418 218 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 218 E C 0.482 177.114 176.600 0.053 0.000 1.026 218 E CA 0.678 57.104 56.400 0.043 0.000 0.862 218 E CB -0.153 29.570 29.700 0.039 0.000 0.799 218 E HN 0.380 nan 8.360 nan 0.000 0.518 219 D N 0.179 120.604 120.400 0.042 0.000 2.501 219 D HA 0.149 4.789 4.640 -0.000 0.000 0.226 219 D C 0.155 176.381 176.300 -0.123 0.000 1.198 219 D CA -0.051 53.969 54.000 0.033 0.000 0.830 219 D CB 0.614 41.443 40.800 0.048 0.000 1.014 219 D HN 0.122 nan 8.370 nan 0.000 0.496 220 I N 1.001 121.505 120.570 -0.110 0.000 2.352 220 I HA 0.056 4.226 4.170 -0.000 0.000 0.290 220 I C 1.510 177.590 176.117 -0.061 0.000 1.036 220 I CA -0.236 60.910 61.300 -0.257 0.000 1.336 220 I CB 0.845 38.775 38.000 -0.118 0.000 1.407 220 I HN -0.019 nan 8.210 nan 0.000 0.497 221 H N 6.190 125.196 119.070 -0.106 0.000 2.395 221 H HA 0.160 4.716 4.556 -0.000 0.000 0.299 221 H C -0.015 175.390 175.328 0.129 0.000 1.070 221 H CA 0.452 56.535 56.048 0.058 0.000 1.356 221 H CB 0.535 30.405 29.762 0.180 0.000 1.401 221 H HN 0.317 nan 8.280 nan 0.000 0.524 222 I N 1.467 122.137 120.570 0.167 0.000 2.542 222 I HA 0.225 4.395 4.170 -0.000 0.000 0.278 222 I C -2.578 173.625 176.117 0.144 0.000 1.069 222 I CA -2.642 58.787 61.300 0.216 0.000 1.100 222 I CB 1.652 39.793 38.000 0.236 0.000 1.204 222 I HN -0.191 nan 8.210 nan 0.000 0.470 223 P HA 0.038 nan 4.420 nan 0.000 0.267 223 P C 0.930 178.256 177.300 0.043 0.000 1.201 223 P CA -0.065 63.071 63.100 0.061 0.000 0.775 223 P CB 0.643 32.344 31.700 0.002 0.000 0.854 224 K N 3.151 123.564 120.400 0.021 0.000 2.173 224 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 224 K C 1.731 178.327 176.600 -0.006 0.000 1.046 224 K CA 1.638 57.941 56.287 0.026 0.000 0.929 224 K CB -0.981 31.548 32.500 0.049 0.000 0.720 224 K HN 0.349 nan 8.250 nan 0.000 0.453 225 I N 0.535 121.047 120.570 -0.096 0.000 2.502 225 I HA -0.274 3.896 4.170 -0.000 0.000 0.258 225 I C 1.106 177.139 176.117 -0.139 0.000 1.172 225 I CA 1.295 62.500 61.300 -0.159 0.000 1.430 225 I CB 0.060 37.873 38.000 -0.311 0.000 1.086 225 I HN 0.164 nan 8.210 nan 0.000 0.440 226 Y N -0.517 119.764 120.300 -0.031 0.000 2.497 226 Y HA 0.199 4.749 4.550 -0.000 0.000 0.265 226 Y C 0.927 176.628 175.900 -0.331 0.000 1.111 226 Y CA -0.158 57.859 58.100 -0.138 0.000 1.288 226 Y CB -0.065 38.351 38.460 -0.073 0.000 1.082 226 Y HN -0.208 nan 8.280 nan 0.000 0.536 227 V N 2.552 122.443 119.914 -0.038 0.000 2.299 227 V HA 0.038 4.158 4.120 -0.000 0.000 0.255 227 V C 0.783 176.856 176.094 -0.035 0.000 1.100 227 V CA -0.334 61.913 62.300 -0.089 0.000 0.938 227 V CB -0.142 31.659 31.823 -0.037 0.000 1.139 227 V HN 0.378 nan 8.190 nan 0.000 0.490 228 H N 3.684 122.786 119.070 0.053 0.000 2.307 228 H HA 0.153 4.709 4.556 -0.000 0.000 0.303 228 H C 0.876 176.245 175.328 0.069 0.000 1.073 228 H CA 0.961 57.041 56.048 0.053 0.000 1.338 228 H CB 0.285 30.072 29.762 0.043 0.000 1.389 228 H HN 0.446 nan 8.280 nan 0.000 0.503 229 R N 0.359 120.957 120.500 0.164 0.000 2.561 229 R HA 0.467 4.807 4.340 -0.000 0.000 0.297 229 R C -1.255 175.040 176.300 -0.008 0.000 0.969 229 R CA -0.775 55.407 56.100 0.138 0.000 0.879 229 R CB 2.522 32.849 30.300 0.044 0.000 1.178 229 R HN -0.032 nan 8.270 nan 0.000 0.445 230 L N 2.653 123.841 121.223 -0.059 0.000 2.354 230 L HA 0.742 5.082 4.340 -0.000 0.000 0.269 230 L C -1.378 175.477 176.870 -0.026 0.000 1.005 230 L CA -0.836 53.895 54.840 -0.180 0.000 0.819 230 L CB 2.287 44.011 42.059 -0.559 0.000 1.311 230 L HN 0.446 nan 8.230 nan 0.000 0.423 231 V N 4.027 123.949 119.914 0.014 0.000 2.969 231 V HA 0.431 4.550 4.120 -0.000 0.000 0.304 231 V C -1.237 174.923 176.094 0.110 0.000 1.192 231 V CA -0.832 61.529 62.300 0.103 0.000 0.962 231 V CB 2.121 33.996 31.823 0.086 0.000 1.045 231 V HN 0.893 nan 8.190 nan 0.000 0.428 232 K N 4.532 125.016 120.400 0.142 0.000 2.297 232 K HA 0.598 4.918 4.320 -0.000 0.000 0.286 232 K C 0.368 177.055 176.600 0.144 0.000 1.053 232 K CA 0.227 56.611 56.287 0.162 0.000 0.940 232 K CB 0.988 33.582 32.500 0.157 0.000 1.019 232 K HN 1.061 nan 8.250 nan 0.000 0.475 233 G N 3.348 112.278 108.800 0.215 0.000 2.380 233 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.242 233 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.242 233 G C 0.170 175.004 174.900 -0.110 0.000 1.298 233 G CA -0.287 44.804 45.100 -0.014 0.000 0.878 233 G HN 0.892 nan 8.290 nan 0.000 0.542 234 E N 0.658 120.753 120.200 -0.175 0.000 2.170 234 E HA 0.015 4.365 4.350 -0.000 0.000 0.191 234 E C 0.926 177.435 176.600 -0.152 0.000 0.981 234 E CA 0.630 56.969 56.400 -0.102 0.000 0.830 234 E CB 0.307 29.973 29.700 -0.058 0.000 0.775 234 E HN 0.486 nan 8.360 nan 0.000 0.470 235 K N 0.317 120.528 120.400 -0.316 0.000 2.541 235 K HA 0.248 4.568 4.320 -0.000 0.000 0.250 235 K C -1.993 174.372 176.600 -0.392 0.000 0.950 235 K CA -0.458 55.691 56.287 -0.230 0.000 0.805 235 K CB 1.072 33.514 32.500 -0.096 0.000 1.166 235 K HN -0.175 nan 8.250 nan 0.000 0.430 236 Y N 2.653 123.009 120.300 0.095 0.000 2.332 236 Y HA 0.160 4.709 4.550 -0.000 0.000 0.326 236 Y C 0.397 176.352 175.900 0.092 0.000 0.978 236 Y CA -0.810 57.358 58.100 0.112 0.000 1.205 236 Y CB 1.880 40.403 38.460 0.104 0.000 1.131 236 Y HN 0.640 nan 8.280 nan 0.000 0.462 237 E N 1.732 122.075 120.200 0.238 0.000 2.444 237 E HA 0.074 4.424 4.350 -0.000 0.000 0.191 237 E C -0.101 176.529 176.600 0.049 0.000 1.041 237 E CA -0.241 56.221 56.400 0.104 0.000 0.883 237 E CB 0.124 29.839 29.700 0.025 0.000 1.024 237 E HN 0.264 nan 8.360 nan 0.000 0.470 238 K N 1.463 121.933 120.400 0.117 0.000 3.139 238 K HA -0.230 4.090 4.320 -0.000 0.000 0.261 238 K C -0.041 176.547 176.600 -0.020 0.000 0.895 238 K CA 0.661 56.982 56.287 0.058 0.000 0.664 238 K CB -1.557 30.965 32.500 0.036 0.000 1.388 238 K HN 0.277 nan 8.250 nan 0.000 0.472 239 R N 0.973 121.411 120.500 -0.103 0.000 2.502 239 R HA 0.116 4.456 4.340 -0.000 0.000 0.292 239 R C 0.160 176.399 176.300 -0.101 0.000 0.998 239 R CA 0.448 56.400 56.100 -0.246 0.000 1.056 239 R CB 0.175 30.037 30.300 -0.730 0.000 0.939 239 R HN 0.297 nan 8.270 nan 0.000 0.411 240 I N 4.608 125.127 120.570 -0.085 0.000 2.355 240 I HA 0.118 4.288 4.170 -0.000 0.000 0.288 240 I C 1.158 177.256 176.117 -0.031 0.000 0.999 240 I CA -0.372 60.908 61.300 -0.034 0.000 1.163 240 I CB 1.814 39.799 38.000 -0.026 0.000 1.316 240 I HN 0.812 nan 8.210 nan 0.000 0.454 241 E N 6.375 126.574 120.200 -0.001 0.000 2.047 241 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 241 E C 0.183 176.784 176.600 0.001 0.000 0.987 241 E CA 1.102 57.507 56.400 0.008 0.000 0.799 241 E CB 0.479 30.200 29.700 0.034 0.000 0.752 241 E HN 0.494 nan 8.360 nan 0.000 0.449 242 R N 0.652 121.154 120.500 0.002 0.000 2.502 242 R HA 0.295 4.634 4.340 -0.000 0.000 0.298 242 R C -1.508 174.773 176.300 -0.032 0.000 1.018 242 R CA -0.776 55.315 56.100 -0.014 0.000 0.899 242 R CB 1.654 31.951 30.300 -0.006 0.000 1.181 242 R HN 0.041 nan 8.270 nan 0.000 0.444 243 L N 2.143 123.337 121.223 -0.049 0.000 2.260 243 L HA 0.333 4.673 4.340 -0.000 0.000 0.289 243 L C -0.655 176.146 176.870 -0.114 0.000 1.057 243 L CA 0.386 55.189 54.840 -0.061 0.000 0.811 243 L CB 1.486 43.516 42.059 -0.048 0.000 1.184 243 L HN 0.494 nan 8.230 nan 0.000 0.429 244 S N 4.326 119.932 115.700 -0.156 0.000 2.718 244 S HA 0.628 5.098 4.470 -0.000 0.000 0.294 244 S C -0.532 173.943 174.600 -0.209 0.000 1.157 244 S CA -0.540 57.460 58.200 -0.334 0.000 1.121 244 S CB 1.063 63.835 63.200 -0.713 0.000 1.015 244 S HN 0.382 nan 8.310 nan 0.000 0.479 245 V N 3.733 123.570 119.914 -0.128 0.000 2.994 245 V HA 0.703 4.823 4.120 -0.000 0.000 0.318 245 V C 0.074 176.174 176.094 0.009 0.000 1.085 245 V CA -1.160 61.126 62.300 -0.023 0.000 0.998 245 V CB 2.019 33.832 31.823 -0.016 0.000 1.063 245 V HN 0.849 nan 8.190 nan 0.000 0.447 246 R N 1.068 121.603 120.500 0.057 0.000 2.795 246 R HA 0.713 5.053 4.340 -0.000 0.000 0.275 246 R C -1.301 175.020 176.300 0.035 0.000 0.981 246 R CA -1.016 55.123 56.100 0.065 0.000 0.917 246 R CB 2.081 32.448 30.300 0.112 0.000 1.202 246 R HN 0.567 nan 8.270 nan 0.000 0.469 247 K N 1.072 121.487 120.400 0.024 0.000 2.130 247 K HA 0.112 4.432 4.320 -0.000 0.000 0.268 247 K C -0.559 176.047 176.600 0.010 0.000 0.983 247 K CA -0.605 55.690 56.287 0.013 0.000 0.893 247 K CB 1.797 34.302 32.500 0.008 0.000 1.066 247 K HN 0.608 nan 8.250 nan 0.000 0.450 248 E N 3.284 123.488 120.200 0.005 0.000 2.346 248 E HA -0.056 4.294 4.350 -0.000 0.000 0.317 248 E C -0.487 176.111 176.600 -0.003 0.000 1.404 248 E CA 0.144 56.544 56.400 0.000 0.000 1.534 248 E CB -0.186 29.514 29.700 -0.000 0.000 1.309 248 E HN 0.662 nan 8.360 nan 0.000 0.499 249 E N 0.841 121.039 120.200 -0.004 0.000 2.524 249 E HA 0.062 4.412 4.350 -0.000 0.000 0.136 249 E C -0.634 175.962 176.600 -0.007 0.000 0.846 249 E CA -0.443 55.954 56.400 -0.005 0.000 1.374 249 E CB 0.024 29.722 29.700 -0.002 0.000 1.087 249 E HN 0.070 nan 8.360 nan 0.000 0.513 261 N N -0.123 118.554 118.700 -0.038 0.000 2.511 261 N HA 0.009 4.749 4.740 -0.000 0.000 0.190 261 N C 2.252 177.691 175.510 -0.119 0.000 1.037 261 N CA 1.235 54.248 53.050 -0.061 0.000 0.895 261 N CB 0.819 39.273 38.487 -0.055 0.000 1.149 261 N HN 0.241 nan 8.380 nan 0.000 0.437 262 V N 0.315 120.149 119.914 -0.134 0.000 2.469 262 V HA -0.159 3.961 4.120 -0.000 0.000 0.251 262 V C 2.279 178.291 176.094 -0.137 0.000 1.064 262 V CA 1.700 63.893 62.300 -0.179 0.000 1.066 262 V CB -0.848 30.890 31.823 -0.141 0.000 0.667 262 V HN 0.299 nan 8.190 nan 0.000 0.461 263 R N 0.540 120.989 120.500 -0.086 0.000 2.093 263 R HA -0.091 4.249 4.340 -0.000 0.000 0.224 263 R C 2.455 178.715 176.300 -0.068 0.000 1.101 263 R CA 1.421 57.486 56.100 -0.060 0.000 0.979 263 R CB -0.435 29.850 30.300 -0.025 0.000 0.877 263 R HN 0.719 nan 8.270 nan 0.000 0.441 264 E N 0.590 120.750 120.200 -0.067 0.000 2.077 264 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 264 E C 1.997 178.521 176.600 -0.128 0.000 0.989 264 E CA 1.149 57.504 56.400 -0.077 0.000 0.800 264 E CB 0.090 29.764 29.700 -0.043 0.000 0.746 264 E HN 0.316 nan 8.360 nan 0.000 0.452 265 R N 0.158 120.576 120.500 -0.137 0.000 2.070 265 R HA -0.101 4.239 4.340 -0.000 0.000 0.233 265 R C 2.532 178.747 176.300 -0.143 0.000 1.137 265 R CA 1.744 57.751 56.100 -0.156 0.000 0.945 265 R CB -0.251 29.880 30.300 -0.283 0.000 0.845 265 R HN 0.264 nan 8.270 nan 0.000 0.430 266 I N 0.376 120.866 120.570 -0.135 0.000 2.179 266 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 266 I C 2.183 178.241 176.117 -0.098 0.000 1.088 266 I CA 1.390 62.630 61.300 -0.101 0.000 1.357 266 I CB -0.334 37.621 38.000 -0.075 0.000 1.051 266 I HN 0.181 nan 8.210 nan 0.000 0.409 267 I N 0.784 121.289 120.570 -0.108 0.000 2.163 267 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 267 I C 2.457 178.439 176.117 -0.225 0.000 1.085 267 I CA 1.623 62.851 61.300 -0.120 0.000 1.347 267 I CB -0.404 37.533 38.000 -0.105 0.000 1.044 267 I HN 0.183 nan 8.210 nan 0.000 0.408 268 K N 0.096 120.306 120.400 -0.317 0.000 2.211 268 K HA -0.183 4.137 4.320 -0.000 0.000 0.203 268 K C 2.195 178.691 176.600 -0.173 0.000 1.050 268 K CA 0.846 56.913 56.287 -0.366 0.000 0.945 268 K CB -0.075 32.224 32.500 -0.335 0.000 0.732 268 K HN 0.101 nan 8.250 nan 0.000 0.451 269 R N 1.283 121.711 120.500 -0.120 0.000 2.080 269 R HA 0.073 4.413 4.340 -0.000 0.000 0.222 269 R C 1.870 178.119 176.300 -0.085 0.000 1.107 269 R CA 1.453 57.509 56.100 -0.074 0.000 0.980 269 R CB -0.610 29.657 30.300 -0.054 0.000 0.879 269 R HN 0.068 nan 8.270 nan 0.000 0.439 270 A N 0.610 123.371 122.820 -0.098 0.000 2.019 270 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 270 A C 2.272 179.747 177.584 -0.180 0.000 1.164 270 A CA 1.471 53.428 52.037 -0.132 0.000 0.644 270 A CB -0.875 18.064 19.000 -0.102 0.000 0.805 270 A HN 0.477 nan 8.150 nan 0.000 0.449 271 A N -0.490 122.297 122.820 -0.055 0.000 2.070 271 A HA 0.055 4.375 4.320 -0.000 0.000 0.220 271 A C 1.876 179.520 177.584 0.100 0.000 1.159 271 A CA 1.117 53.233 52.037 0.132 0.000 0.656 271 A CB -0.463 18.640 19.000 0.172 0.000 0.800 271 A HN 0.474 nan 8.150 nan 0.000 0.453 272 L N -0.431 120.780 121.223 -0.020 0.000 2.599 272 L HA 0.002 4.342 4.340 -0.000 0.000 0.230 272 L C 1.670 178.501 176.870 -0.064 0.000 1.141 272 L CA 0.204 55.039 54.840 -0.008 0.000 0.877 272 L CB -0.094 41.955 42.059 -0.017 0.000 1.009 272 L HN 0.297 nan 8.230 nan 0.000 0.447 273 E N -0.137 119.938 120.200 -0.209 0.000 2.435 273 E HA 0.033 4.383 4.350 -0.000 0.000 0.195 273 E C 0.104 176.561 176.600 -0.237 0.000 1.029 273 E CA 0.210 56.458 56.400 -0.254 0.000 0.865 273 E CB 0.132 29.617 29.700 -0.359 0.000 0.833 273 E HN 0.191 nan 8.360 nan 0.000 0.510 274 F N 1.815 121.763 119.950 -0.003 0.000 2.443 274 F HA 0.164 4.691 4.527 0.000 0.000 0.353 274 F C 1.007 176.793 175.800 -0.024 0.000 1.101 274 F CA 0.006 57.997 58.000 -0.016 0.000 1.226 274 F CB 0.611 39.600 39.000 -0.017 0.000 1.140 274 F HN -0.254 nan 8.300 nan 0.000 0.557 275 E N 0.350 120.651 120.200 0.168 0.000 2.336 275 E HA 0.202 4.552 4.350 -0.000 0.000 0.267 275 E C -1.548 175.063 176.600 0.017 0.000 0.906 275 E CA -1.194 55.248 56.400 0.069 0.000 0.781 275 E CB 1.820 31.546 29.700 0.043 0.000 1.261 275 E HN 0.411 nan 8.360 nan 0.000 0.436 276 D N 0.579 120.971 120.400 -0.014 0.000 2.425 276 D HA 0.336 4.975 4.640 -0.000 0.000 0.247 276 D C 0.346 176.592 176.300 -0.091 0.000 1.147 276 D CA 1.786 55.747 54.000 -0.064 0.000 0.879 276 D CB 0.430 41.201 40.800 -0.047 0.000 1.179 276 D HN 0.651 nan 8.370 nan 0.000 0.456 280 A N 2.691 125.645 122.820 0.223 0.000 2.454 280 A HA 0.762 5.082 4.320 -0.000 0.000 0.302 280 A C -1.476 176.204 177.584 0.161 0.000 1.079 280 A CA -0.853 51.301 52.037 0.194 0.000 0.731 280 A CB 1.904 21.059 19.000 0.259 0.000 1.299 280 A HN 0.599 nan 8.150 nan 0.000 0.413 281 N N 1.820 120.597 118.700 0.128 0.000 2.442 281 N HA 0.456 5.196 4.740 -0.000 0.000 0.274 281 N C -1.662 173.909 175.510 0.102 0.000 1.002 281 N CA -0.212 52.896 53.050 0.097 0.000 0.910 281 N CB 0.867 39.393 38.487 0.066 0.000 1.244 281 N HN 0.595 nan 8.380 nan 0.000 0.492 282 L N 2.483 123.771 121.223 0.108 0.000 2.272 282 L HA 0.492 4.832 4.340 -0.000 0.000 0.289 282 L C 1.450 178.374 176.870 0.090 0.000 1.032 282 L CA -1.000 53.907 54.840 0.113 0.000 0.810 282 L CB 1.454 43.604 42.059 0.152 0.000 1.205 282 L HN 0.446 nan 8.230 nan 0.000 0.422 283 G N 3.205 112.054 108.800 0.082 0.000 2.667 283 G HA2 0.338 4.298 3.960 -0.000 0.000 0.250 283 G HA3 0.338 4.298 3.960 -0.000 0.000 0.250 283 G C 0.231 175.177 174.900 0.077 0.000 1.212 283 G CA -0.736 44.410 45.100 0.076 0.000 0.874 283 G HN 0.701 nan 8.290 nan 0.000 0.561 284 I N -0.822 119.791 120.570 0.070 0.000 2.813 284 I HA 0.481 4.651 4.170 -0.000 0.000 0.287 284 I C 1.049 177.210 176.117 0.073 0.000 1.196 284 I CA 0.330 61.674 61.300 0.074 0.000 1.421 284 I CB 0.136 38.171 38.000 0.060 0.000 1.365 284 I HN 1.173 nan 8.210 nan 0.000 0.591 285 G N 4.464 113.314 108.800 0.084 0.000 2.669 285 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.250 285 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.250 285 G C 0.418 175.367 174.900 0.082 0.000 1.247 285 G CA 0.120 45.266 45.100 0.077 0.000 0.958 285 G HN 0.692 nan 8.290 nan 0.000 0.559 286 I N 3.391 123.999 120.570 0.064 0.000 2.099 286 I HA -0.128 4.042 4.170 -0.000 0.000 0.239 286 I C 0.626 176.789 176.117 0.077 0.000 1.066 286 I CA 2.444 63.779 61.300 0.058 0.000 1.324 286 I CB -1.164 36.853 38.000 0.027 0.000 1.037 286 I HN 0.449 nan 8.210 nan 0.000 0.401 287 P HA -0.210 nan 4.420 nan 0.000 0.216 287 P C 1.869 179.261 177.300 0.154 0.000 1.150 287 P CA 1.529 64.682 63.100 0.090 0.000 0.843 287 P CB -0.089 31.651 31.700 0.067 0.000 0.787 288 L N -0.555 120.745 121.223 0.128 0.000 2.072 288 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 288 L C 2.588 179.535 176.870 0.128 0.000 1.079 288 L CA 1.481 56.394 54.840 0.121 0.000 0.752 288 L CB -1.538 40.578 42.059 0.095 0.000 0.906 288 L HN -0.188 nan 8.230 nan 0.000 0.436 289 L N -0.528 120.781 121.223 0.143 0.000 2.131 289 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 289 L C 2.630 179.665 176.870 0.274 0.000 1.092 289 L CA 1.027 55.974 54.840 0.178 0.000 0.759 289 L CB -0.891 41.273 42.059 0.175 0.000 0.903 289 L HN 0.375 nan 8.230 nan 0.000 0.435 290 A N 0.225 123.205 122.820 0.268 0.000 1.978 290 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 290 A C 2.506 180.386 177.584 0.494 0.000 1.170 290 A CA 1.935 54.189 52.037 0.362 0.000 0.636 290 A CB -0.673 18.488 19.000 0.270 0.000 0.810 290 A HN 0.542 nan 8.150 nan 0.000 0.448 291 S N 0.319 116.212 115.700 0.322 0.000 2.469 291 S HA -0.163 4.307 4.470 -0.000 0.000 0.238 291 S C 1.534 176.086 174.600 -0.081 0.000 0.998 291 S CA 1.188 59.350 58.200 -0.063 0.000 0.957 291 S CB -0.672 62.442 63.200 -0.143 0.000 0.764 291 S HN 0.605 nan 8.310 nan 0.000 0.514 292 N N 0.878 119.600 118.700 0.036 0.000 2.381 292 N HA 0.038 4.778 4.740 -0.000 0.000 0.182 292 N C 0.363 175.719 175.510 -0.255 0.000 1.025 292 N CA 0.968 53.937 53.050 -0.135 0.000 0.888 292 N CB -0.355 38.023 38.487 -0.182 0.000 0.965 292 N HN 0.535 nan 8.380 nan 0.000 0.438 293 F N 0.867 120.815 119.950 -0.005 0.000 2.693 293 F HA 0.329 4.856 4.527 -0.000 0.000 0.303 293 F C 0.871 176.669 175.800 -0.004 0.000 1.097 293 F CA -0.422 57.585 58.000 0.012 0.000 1.330 293 F CB -0.087 38.945 39.000 0.053 0.000 1.067 293 F HN -0.179 nan 8.300 nan 0.000 0.565 294 I N 0.578 121.171 120.570 0.038 0.000 2.662 294 I HA -0.091 4.079 4.170 -0.000 0.000 0.285 294 I C 1.107 177.195 176.117 -0.049 0.000 1.161 294 I CA -0.061 61.205 61.300 -0.058 0.000 1.415 294 I CB 0.319 38.130 38.000 -0.315 0.000 1.385 294 I HN -0.022 nan 8.210 nan 0.000 0.552 295 S N 9.315 125.012 115.700 -0.005 0.000 2.593 295 S HA 0.030 4.499 4.470 -0.000 0.000 0.300 295 S C -0.602 173.966 174.600 -0.054 0.000 1.267 295 S CA -1.015 57.176 58.200 -0.015 0.000 1.065 295 S CB 0.561 63.762 63.200 0.001 0.000 0.807 295 S HN 0.538 nan 8.310 nan 0.000 0.499 296 P HA -0.098 nan 4.420 nan 0.000 0.225 296 P C 0.469 177.734 177.300 -0.058 0.000 1.148 296 P CA 0.600 63.661 63.100 -0.065 0.000 0.779 296 P CB -0.176 31.491 31.700 -0.055 0.000 0.780 300 V N 3.308 122.953 119.914 -0.449 0.000 2.680 300 V HA 0.770 4.890 4.120 -0.000 0.000 0.309 300 V C -0.801 174.995 176.094 -0.496 0.000 1.052 300 V CA -0.758 61.259 62.300 -0.472 0.000 0.908 300 V CB 1.827 33.455 31.823 -0.326 0.000 1.001 300 V HN 0.915 nan 8.190 nan 0.000 0.431 301 H N 4.992 123.913 119.070 -0.249 0.000 2.519 301 H HA 0.547 5.103 4.556 -0.000 0.000 0.316 301 H C -0.543 174.762 175.328 -0.037 0.000 1.065 301 H CA -0.500 55.448 56.048 -0.166 0.000 1.264 301 H CB 1.723 31.335 29.762 -0.251 0.000 1.413 301 H HN 0.627 nan 8.280 nan 0.000 0.465 302 L N 3.139 124.416 121.223 0.089 0.000 2.264 302 L HA 0.219 4.559 4.340 -0.000 0.000 0.289 302 L C 0.691 177.619 176.870 0.096 0.000 1.044 302 L CA -0.393 54.492 54.840 0.075 0.000 0.807 302 L CB 1.191 43.254 42.059 0.007 0.000 1.192 302 L HN 0.400 nan 8.230 nan 0.000 0.425 303 Q N 2.312 122.181 119.800 0.115 0.000 2.241 303 Q HA 0.318 4.658 4.340 -0.000 0.000 0.254 303 Q C -1.136 174.884 176.000 0.033 0.000 0.917 303 Q CA -0.145 55.718 55.803 0.100 0.000 0.919 303 Q CB 2.104 30.912 28.738 0.115 0.000 1.237 303 Q HN 0.567 nan 8.270 nan 0.000 0.434 304 S N 2.615 118.305 115.700 -0.016 0.000 2.498 304 S HA 0.164 4.634 4.470 -0.000 0.000 0.317 304 S C 0.622 175.126 174.600 -0.160 0.000 1.090 304 S CA -0.498 57.655 58.200 -0.079 0.000 1.089 304 S CB 0.754 63.893 63.200 -0.101 0.000 0.997 304 S HN 0.651 nan 8.310 nan 0.000 0.470 305 E N 3.084 123.182 120.200 -0.169 0.000 2.169 305 E HA -0.258 4.092 4.350 -0.000 0.000 0.202 305 E C 1.044 177.452 176.600 -0.321 0.000 1.016 305 E CA 1.437 57.675 56.400 -0.270 0.000 0.817 305 E CB -0.429 29.247 29.700 -0.039 0.000 0.736 305 E HN 0.751 nan 8.360 nan 0.000 0.462 306 N N 0.764 119.150 118.700 -0.524 0.000 2.501 306 N HA -0.014 4.726 4.740 -0.000 0.000 0.195 306 N C 0.721 175.938 175.510 -0.489 0.000 1.213 306 N CA 0.943 53.511 53.050 -0.804 0.000 0.864 306 N CB 0.584 38.090 38.487 -1.635 0.000 0.999 306 N HN 0.295 nan 8.380 nan 0.000 0.454 307 G N 0.242 108.786 108.800 -0.427 0.000 2.392 307 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.215 307 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.215 307 G C -0.610 173.649 174.900 -1.068 0.000 1.097 307 G CA -0.263 44.428 45.100 -0.681 0.000 0.840 307 G HN 0.378 nan 8.290 nan 0.000 0.492 308 I N -0.670 119.413 120.570 -0.812 0.000 2.802 308 I HA 0.671 4.841 4.170 -0.000 0.000 0.298 308 I C -0.868 175.114 176.117 -0.226 0.000 1.176 308 I CA -1.363 59.595 61.300 -0.570 0.000 1.025 308 I CB 2.226 40.097 38.000 -0.215 0.000 1.243 308 I HN 0.076 nan 8.210 nan 0.000 0.424 309 L N 4.452 125.601 121.223 -0.124 0.000 2.406 309 L HA 0.798 5.138 4.340 -0.000 0.000 0.270 309 L C 0.134 176.985 176.870 -0.032 0.000 0.982 309 L CA 0.161 55.048 54.840 0.078 0.000 0.843 309 L CB 1.376 43.582 42.059 0.245 0.000 1.225 309 L HN 0.837 nan 8.230 nan 0.000 0.412 310 G N 4.567 113.373 108.800 0.009 0.000 2.327 310 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.159 310 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.159 310 G C -0.367 174.509 174.900 -0.040 0.000 1.056 310 G CA -0.149 44.952 45.100 0.001 0.000 0.751 310 G HN 0.838 nan 8.290 nan 0.000 0.488 311 L N -0.404 120.796 121.223 -0.038 0.000 2.456 311 L HA 0.713 5.053 4.340 -0.000 0.000 0.272 311 L C 1.156 177.986 176.870 -0.067 0.000 1.189 311 L CA -0.082 54.727 54.840 -0.051 0.000 0.846 311 L CB 0.309 42.343 42.059 -0.042 0.000 1.111 311 L HN 0.228 nan 8.230 nan 0.000 0.475 312 G N 1.885 110.642 108.800 -0.070 0.000 2.736 312 G HA2 0.652 4.612 3.960 -0.000 0.000 0.229 312 G HA3 0.652 4.612 3.960 -0.000 0.000 0.229 312 G C -2.504 172.313 174.900 -0.138 0.000 1.380 312 G CA -0.943 44.102 45.100 -0.090 0.000 1.040 312 G HN 0.607 nan 8.290 nan 0.000 0.568 313 P HA 0.230 nan 4.420 nan 0.000 0.279 313 P C -1.000 176.213 177.300 -0.144 0.000 1.282 313 P CA -0.497 62.478 63.100 -0.208 0.000 0.788 313 P CB 0.574 32.197 31.700 -0.129 0.000 1.139 314 Y N 0.109 120.402 120.300 -0.012 0.000 2.578 314 Y HA 0.110 4.660 4.550 -0.000 0.000 0.339 314 Y C -1.255 174.641 175.900 -0.007 0.000 1.231 314 Y CA -1.741 56.357 58.100 -0.004 0.000 1.461 314 Y CB -1.180 37.279 38.460 -0.002 0.000 1.323 314 Y HN 0.298 nan 8.280 nan 0.000 0.590 315 P HA 0.115 nan 4.420 nan 0.000 0.274 315 P C -0.474 176.867 177.300 0.067 0.000 1.231 315 P CA -0.127 63.026 63.100 0.088 0.000 0.790 315 P CB 1.107 32.847 31.700 0.068 0.000 0.951 316 L N 1.345 122.593 121.223 0.041 0.000 2.475 316 L HA 0.076 4.416 4.340 -0.000 0.000 0.253 316 L C 2.407 179.289 176.870 0.021 0.000 1.198 316 L CA -0.265 54.592 54.840 0.028 0.000 0.814 316 L CB -0.005 42.066 42.059 0.019 0.000 1.134 316 L HN 0.377 nan 8.230 nan 0.000 0.478 317 Q N 1.706 121.514 119.800 0.013 0.000 2.082 317 Q HA -0.257 4.083 4.340 -0.000 0.000 0.211 317 Q C 1.351 177.356 176.000 0.008 0.000 1.002 317 Q CA 2.426 58.233 55.803 0.007 0.000 0.868 317 Q CB -0.245 28.495 28.738 0.005 0.000 0.931 317 Q HN 0.719 nan 8.270 nan 0.000 0.414 318 N N -0.561 118.144 118.700 0.009 0.000 2.421 318 N HA -0.056 4.684 4.740 -0.000 0.000 0.201 318 N C 0.202 175.718 175.510 0.010 0.000 1.198 318 N CA 0.478 53.534 53.050 0.009 0.000 0.838 318 N CB 0.244 38.736 38.487 0.009 0.000 1.011 318 N HN 0.452 nan 8.380 nan 0.000 0.463 319 E N -0.154 120.053 120.200 0.013 0.000 2.514 319 E HA 0.082 4.432 4.350 -0.000 0.000 0.215 319 E C -0.070 176.539 176.600 0.015 0.000 0.946 319 E CA -0.258 56.151 56.400 0.015 0.000 1.038 319 E CB 1.192 30.904 29.700 0.021 0.000 1.069 319 E HN 0.090 nan 8.360 nan 0.000 0.503 320 V N 2.261 122.183 119.914 0.013 0.000 2.617 320 V HA -0.001 4.119 4.120 -0.000 0.000 0.304 320 V C -0.732 175.361 176.094 -0.000 0.000 1.040 320 V CA 0.729 63.035 62.300 0.011 0.000 1.149 320 V CB 0.854 32.680 31.823 0.005 0.000 0.914 320 V HN 0.092 nan 8.190 nan 0.000 0.487 321 D N 4.661 125.059 120.400 -0.004 0.000 2.763 321 D HA 0.482 5.122 4.640 -0.000 0.000 0.235 321 D C 0.462 176.748 176.300 -0.024 0.000 1.334 321 D CA 0.112 54.097 54.000 -0.025 0.000 0.950 321 D CB 2.038 42.813 40.800 -0.043 0.000 1.433 321 D HN 0.621 nan 8.370 nan 0.000 0.580 322 A N 3.307 126.113 122.820 -0.025 0.000 2.131 322 A HA -0.140 4.179 4.320 -0.000 0.000 0.220 322 A C 1.264 178.836 177.584 -0.019 0.000 1.158 322 A CA 1.180 53.211 52.037 -0.009 0.000 0.665 322 A CB -0.016 18.984 19.000 -0.000 0.000 0.795 322 A HN 0.546 nan 8.150 nan 0.000 0.460 323 D N -1.102 119.255 120.400 -0.072 0.000 2.340 323 D HA 0.128 4.768 4.640 -0.000 0.000 0.220 323 D C 0.107 176.329 176.300 -0.129 0.000 1.039 323 D CA 0.368 54.297 54.000 -0.119 0.000 0.866 323 D CB 0.243 40.910 40.800 -0.222 0.000 0.913 323 D HN 0.345 nan 8.370 nan 0.000 0.523 324 L N 2.059 123.242 121.223 -0.066 0.000 2.353 324 L HA 0.399 4.739 4.340 -0.000 0.000 0.270 324 L C -0.831 176.059 176.870 0.033 0.000 1.003 324 L CA -0.472 54.351 54.840 -0.028 0.000 0.862 324 L CB 0.754 42.814 42.059 0.001 0.000 1.221 324 L HN -0.148 nan 8.230 nan 0.000 0.430 325 I N 0.683 121.285 120.570 0.053 0.000 2.969 325 I HA 0.580 4.750 4.170 -0.000 0.000 0.307 325 I C -0.829 175.350 176.117 0.102 0.000 1.149 325 I CA -0.990 60.371 61.300 0.103 0.000 1.008 325 I CB 2.193 40.280 38.000 0.145 0.000 1.232 325 I HN 0.428 nan 8.210 nan 0.000 0.435 326 N N 2.850 121.629 118.700 0.131 0.000 2.418 326 N HA 0.457 5.197 4.740 -0.000 0.000 0.283 326 N C 0.884 176.503 175.510 0.182 0.000 1.267 326 N CA -0.097 53.017 53.050 0.106 0.000 0.975 326 N CB 0.535 39.087 38.487 0.109 0.000 1.167 326 N HN 0.806 nan 8.380 nan 0.000 0.581 327 A N -1.091 121.816 122.820 0.145 0.000 2.019 327 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 327 A C 1.807 179.569 177.584 0.297 0.000 1.164 327 A CA 1.527 53.728 52.037 0.273 0.000 0.644 327 A CB -1.550 17.549 19.000 0.165 0.000 0.805 327 A HN 0.804 nan 8.150 nan 0.000 0.449 328 G N -1.904 107.003 108.800 0.178 0.000 3.124 328 G HA2 0.270 4.230 3.960 -0.000 0.000 0.212 328 G HA3 0.270 4.230 3.960 -0.000 0.000 0.212 328 G C 0.601 175.567 174.900 0.111 0.000 1.181 328 G CA 0.411 45.577 45.100 0.110 0.000 0.803 328 G HN 0.349 nan 8.290 nan 0.000 0.529 329 K N -0.641 119.865 120.400 0.176 0.000 3.281 329 K HA -0.164 4.156 4.320 -0.000 0.000 0.295 329 K C 0.147 176.810 176.600 0.106 0.000 1.233 329 K CA 0.866 57.234 56.287 0.135 0.000 0.866 329 K CB -1.552 30.983 32.500 0.058 0.000 1.265 329 K HN 0.641 nan 8.250 nan 0.000 0.482 330 E N 0.152 120.428 120.200 0.125 0.000 2.214 330 E HA 0.284 4.634 4.350 -0.000 0.000 0.274 330 E C -0.016 176.656 176.600 0.120 0.000 0.977 330 E CA -0.443 56.015 56.400 0.096 0.000 0.827 330 E CB 1.036 30.815 29.700 0.131 0.000 1.130 330 E HN 0.263 nan 8.360 nan 0.000 0.394 331 T N -0.635 113.963 114.554 0.075 0.000 2.888 331 T HA 0.287 4.637 4.350 -0.000 0.000 0.301 331 T C 0.264 175.064 174.700 0.167 0.000 1.001 331 T CA -0.663 61.489 62.100 0.087 0.000 1.147 331 T CB 0.311 69.205 68.868 0.043 0.000 0.931 331 T HN 0.139 nan 8.240 nan 0.000 0.541 332 V N 1.810 121.806 119.914 0.138 0.000 3.145 332 V HA 0.756 4.875 4.120 -0.000 0.000 0.311 332 V C 0.503 176.648 176.094 0.084 0.000 1.238 332 V CA -1.081 61.305 62.300 0.143 0.000 1.066 332 V CB 2.117 34.000 31.823 0.100 0.000 1.144 332 V HN 1.077 nan 8.190 nan 0.000 0.465 333 T N -0.209 114.375 114.554 0.048 0.000 2.888 333 T HA 0.734 5.084 4.350 -0.000 0.000 0.288 333 T C -1.536 173.168 174.700 0.007 0.000 1.063 333 T CA -0.328 61.788 62.100 0.027 0.000 1.010 333 T CB 2.067 70.941 68.868 0.011 0.000 1.214 333 T HN 0.456 nan 8.240 nan 0.000 0.533 334 V N 2.242 122.156 119.914 0.001 0.000 2.760 334 V HA 0.566 4.686 4.120 -0.000 0.000 0.309 334 V C -0.709 175.362 176.094 -0.039 0.000 1.077 334 V CA -0.766 61.514 62.300 -0.032 0.000 0.910 334 V CB 1.839 33.636 31.823 -0.043 0.000 1.008 334 V HN 0.692 nan 8.190 nan 0.000 0.424 335 L N 6.594 127.788 121.223 -0.049 0.000 2.439 335 L HA 0.506 4.846 4.340 -0.000 0.000 0.259 335 L C -1.872 174.976 176.870 -0.038 0.000 1.129 335 L CA -1.727 53.091 54.840 -0.036 0.000 0.803 335 L CB 0.786 42.829 42.059 -0.027 0.000 1.161 335 L HN 0.468 nan 8.230 nan 0.000 0.462 336 P HA -0.014 nan 4.420 nan 0.000 0.268 336 P C 0.522 177.803 177.300 -0.031 0.000 1.208 336 P CA 0.391 63.477 63.100 -0.023 0.000 0.777 336 P CB 0.521 32.215 31.700 -0.011 0.000 0.875 337 G N 0.254 109.030 108.800 -0.040 0.000 2.179 337 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.257 337 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.257 337 G C 0.451 175.296 174.900 -0.092 0.000 1.010 337 G CA 0.219 45.287 45.100 -0.054 0.000 0.736 337 G HN 0.901 nan 8.290 nan 0.000 0.513 338 A N -0.636 122.111 122.820 -0.121 0.000 2.259 338 A HA 0.940 5.260 4.320 -0.000 0.000 0.278 338 A C 0.781 178.215 177.584 -0.249 0.000 1.107 338 A CA 0.789 52.711 52.037 -0.191 0.000 0.828 338 A CB 0.892 19.740 19.000 -0.253 0.000 1.111 338 A HN 2.092 nan 8.150 nan 0.000 0.498 339 S N -1.738 113.764 115.700 -0.330 0.000 2.570 339 S HA 0.717 5.187 4.470 -0.000 0.000 0.270 339 S C -1.542 172.755 174.600 -0.505 0.000 1.149 339 S CA -0.634 57.395 58.200 -0.285 0.000 0.837 339 S CB 0.807 64.007 63.200 0.000 0.000 1.124 339 S HN 0.554 nan 8.310 nan 0.000 0.465 340 Y N 0.859 121.085 120.300 -0.124 0.000 2.485 340 Y HA 0.831 5.381 4.550 -0.000 0.000 0.345 340 Y C -0.336 175.400 175.900 -0.273 0.000 0.998 340 Y CA -1.205 56.659 58.100 -0.394 0.000 1.059 340 Y CB 1.685 39.987 38.460 -0.263 0.000 1.234 340 Y HN 0.878 nan 8.280 nan 0.000 0.461 341 F N -1.871 118.074 119.950 -0.008 0.000 2.713 341 F HA 0.668 5.194 4.527 -0.000 0.000 0.311 341 F C -0.331 175.368 175.800 -0.167 0.000 1.141 341 F CA -1.707 56.224 58.000 -0.115 0.000 0.939 341 F CB 0.470 39.388 39.000 -0.137 0.000 1.325 341 F HN 0.363 nan 8.300 nan 0.000 0.453 342 S N 0.068 115.772 115.700 0.006 0.000 2.596 342 S HA 0.208 4.678 4.470 -0.000 0.000 0.260 342 S C 0.713 175.243 174.600 -0.116 0.000 1.336 342 S CA 0.080 58.195 58.200 -0.142 0.000 0.993 342 S CB 1.055 64.150 63.200 -0.176 0.000 0.923 342 S HN 0.707 nan 8.310 nan 0.000 0.567 343 S N 1.337 116.866 115.700 -0.286 0.000 2.383 343 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 343 S C 1.709 176.224 174.600 -0.141 0.000 1.026 343 S CA 1.171 59.178 58.200 -0.323 0.000 0.981 343 S CB -0.633 61.954 63.200 -1.021 0.000 0.818 343 S HN 0.921 nan 8.310 nan 0.000 0.472 344 D N 1.146 121.424 120.400 -0.204 0.000 2.144 344 D HA -0.132 4.508 4.640 -0.000 0.000 0.200 344 D C 1.680 177.948 176.300 -0.054 0.000 0.978 344 D CA 0.743 54.680 54.000 -0.106 0.000 0.833 344 D CB -0.317 40.395 40.800 -0.147 0.000 0.961 344 D HN 0.164 nan 8.370 nan 0.000 0.470 345 E N 0.989 121.144 120.200 -0.074 0.000 2.031 345 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 345 E C 2.131 178.642 176.600 -0.148 0.000 0.994 345 E CA 0.800 57.132 56.400 -0.115 0.000 0.800 345 E CB -0.568 29.078 29.700 -0.090 0.000 0.752 345 E HN 0.238 nan 8.360 nan 0.000 0.447 346 S N -0.560 115.130 115.700 -0.017 0.000 2.380 346 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 346 S C 1.770 176.174 174.600 -0.327 0.000 1.043 346 S CA 1.310 59.459 58.200 -0.085 0.000 1.038 346 S CB -0.325 62.840 63.200 -0.058 0.000 0.872 346 S HN 0.218 nan 8.310 nan 0.000 0.456 347 F N 1.541 121.463 119.950 -0.048 0.000 2.710 347 F HA 0.446 4.973 4.527 -0.000 0.000 0.298 347 F C 1.393 177.175 175.800 -0.030 0.000 1.137 347 F CA 0.104 58.089 58.000 -0.024 0.000 1.444 347 F CB -0.460 38.532 39.000 -0.013 0.000 1.111 347 F HN 0.209 nan 8.300 nan 0.000 0.580 351 R N 1.663 122.240 120.500 0.128 0.000 2.127 351 R HA -0.090 4.250 4.340 -0.000 0.000 0.238 351 R C 1.796 178.153 176.300 0.095 0.000 1.134 351 R CA 1.835 58.021 56.100 0.144 0.000 0.975 351 R CB -0.229 30.177 30.300 0.177 0.000 0.865 351 R HN 0.482 nan 8.270 nan 0.000 0.447 352 G N -1.114 107.741 108.800 0.091 0.000 2.848 352 G HA2 0.057 4.017 3.960 -0.000 0.000 0.208 352 G HA3 0.057 4.017 3.960 -0.000 0.000 0.208 352 G C 0.746 175.504 174.900 -0.238 0.000 1.152 352 G CA 0.394 45.492 45.100 -0.003 0.000 0.789 352 G HN 0.511 nan 8.290 nan 0.000 0.531 353 G N 0.013 108.749 108.800 -0.107 0.000 2.198 353 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 353 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 353 G C 0.819 175.592 174.900 -0.212 0.000 1.025 353 G CA 0.510 45.533 45.100 -0.128 0.000 0.769 353 G HN 0.602 nan 8.290 nan 0.000 0.507 354 H N -1.292 117.741 119.070 -0.062 0.000 2.529 354 H HA 0.143 4.699 4.556 -0.000 0.000 0.277 354 H C 1.501 176.771 175.328 -0.097 0.000 0.999 354 H CA 0.997 56.979 56.048 -0.111 0.000 1.256 354 H CB 0.437 30.087 29.762 -0.186 0.000 1.402 354 H HN 0.341 nan 8.280 nan 0.000 0.566 355 V N 2.234 122.178 119.914 0.050 0.000 2.583 355 V HA -0.018 4.102 4.120 -0.000 0.000 0.287 355 V C 0.853 177.006 176.094 0.098 0.000 1.051 355 V CA 0.030 62.382 62.300 0.087 0.000 1.010 355 V CB 1.426 33.293 31.823 0.074 0.000 0.988 355 V HN 0.390 nan 8.190 nan 0.000 0.478 356 N N 2.868 121.663 118.700 0.160 0.000 2.207 356 N HA 0.054 4.794 4.740 -0.000 0.000 0.182 356 N C -0.004 175.558 175.510 0.087 0.000 1.020 356 N CA 0.464 53.589 53.050 0.125 0.000 0.858 356 N CB 0.174 38.758 38.487 0.162 0.000 0.991 356 N HN 0.453 nan 8.380 nan 0.000 0.427 357 L N 0.348 121.630 121.223 0.098 0.000 2.410 357 L HA 0.457 4.797 4.340 -0.000 0.000 0.270 357 L C -0.824 176.087 176.870 0.067 0.000 0.983 357 L CA -0.221 54.657 54.840 0.063 0.000 0.822 357 L CB 2.183 44.266 42.059 0.039 0.000 1.285 357 L HN -0.176 nan 8.230 nan 0.000 0.409 361 G N -0.288 108.540 108.800 0.046 0.000 2.588 361 G HA2 0.841 4.800 3.960 -0.000 0.000 0.281 361 G HA3 0.841 4.800 3.960 -0.000 0.000 0.281 361 G C -0.464 174.462 174.900 0.043 0.000 1.236 361 G CA 0.059 45.182 45.100 0.038 0.000 0.969 361 G HN 1.475 nan 8.290 nan 0.000 0.504 365 V N 1.134 121.015 119.914 -0.055 0.000 2.638 365 V HA 0.535 4.655 4.120 -0.000 0.000 0.306 365 V C -0.102 175.941 176.094 -0.086 0.000 1.052 365 V CA -0.620 61.645 62.300 -0.060 0.000 0.885 365 V CB 1.814 33.588 31.823 -0.081 0.000 0.999 365 V HN 0.806 nan 8.190 nan 0.000 0.424 366 S N 3.304 118.970 115.700 -0.057 0.000 2.614 366 S HA 0.226 4.696 4.470 -0.000 0.000 0.265 366 S C 1.276 175.797 174.600 -0.133 0.000 1.303 366 S CA 0.015 58.176 58.200 -0.065 0.000 1.000 366 S CB 1.008 64.211 63.200 0.005 0.000 0.935 366 S HN 0.846 nan 8.310 nan 0.000 0.551 367 K N 1.191 121.469 120.400 -0.204 0.000 2.152 367 K HA -0.142 4.177 4.320 -0.000 0.000 0.206 367 K C 0.458 176.742 176.600 -0.526 0.000 1.048 367 K CA 1.733 57.769 56.287 -0.419 0.000 0.933 367 K CB -0.266 31.896 32.500 -0.563 0.000 0.721 367 K HN 0.812 nan 8.250 nan 0.000 0.447 368 Y N -0.962 119.314 120.300 -0.040 0.000 2.524 368 Y HA 0.270 4.820 4.550 -0.001 0.000 0.266 368 Y C 1.118 177.008 175.900 -0.017 0.000 1.180 368 Y CA 0.194 58.281 58.100 -0.022 0.000 1.244 368 Y CB 1.329 39.780 38.460 -0.015 0.000 1.125 368 Y HN 0.312 nan 8.280 nan 0.000 0.524 369 G N -0.593 108.239 108.800 0.053 0.000 2.168 369 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.197 369 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.197 369 G C -0.418 174.507 174.900 0.043 0.000 0.997 369 G CA -0.428 44.696 45.100 0.041 0.000 0.658 369 G HN 0.197 nan 8.290 nan 0.000 0.513 370 D N 0.170 120.598 120.400 0.047 0.000 2.414 370 D HA 0.487 5.126 4.640 -0.000 0.000 0.242 370 D C 0.324 176.644 176.300 0.034 0.000 1.129 370 D CA 0.208 54.234 54.000 0.043 0.000 0.885 370 D CB 1.757 42.581 40.800 0.040 0.000 1.198 370 D HN 0.323 nan 8.370 nan 0.000 0.437 371 L N 1.033 122.287 121.223 0.051 0.000 2.354 371 L HA 0.706 5.045 4.340 -0.000 0.000 0.269 371 L C -1.313 175.616 176.870 0.098 0.000 1.005 371 L CA -0.798 54.079 54.840 0.062 0.000 0.819 371 L CB 1.864 43.964 42.059 0.069 0.000 1.311 371 L HN 0.399 nan 8.230 nan 0.000 0.423 372 A N 3.419 126.296 122.820 0.094 0.000 2.446 372 A HA 0.653 4.973 4.320 -0.000 0.000 0.282 372 A C -0.673 176.978 177.584 0.112 0.000 1.102 372 A CA -0.244 51.864 52.037 0.118 0.000 0.737 372 A CB 0.451 19.479 19.000 0.047 0.000 1.212 372 A HN 0.816 nan 8.150 nan 0.000 0.434 373 N N 1.570 120.390 118.700 0.200 0.000 2.228 373 N HA 0.038 4.778 4.740 -0.000 0.000 0.237 373 N C -0.367 175.296 175.510 0.255 0.000 1.382 373 N CA -0.134 53.016 53.050 0.167 0.000 0.787 373 N CB -0.128 38.447 38.487 0.146 0.000 1.320 373 N HN 0.801 nan 8.380 nan 0.000 0.507 377 P HA 0.040 nan 4.420 nan 0.000 0.256 377 P C 1.001 178.237 177.300 -0.107 0.000 1.173 377 P CA 1.302 64.334 63.100 -0.113 0.000 0.768 377 P CB 0.345 31.992 31.700 -0.087 0.000 0.758 378 G N 2.541 111.264 108.800 -0.129 0.000 2.162 378 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 378 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 378 G C 0.928 175.734 174.900 -0.155 0.000 0.976 378 G CA 0.710 45.707 45.100 -0.171 0.000 0.655 378 G HN 0.527 nan 8.290 nan 0.000 0.533 379 K N -1.979 118.341 120.400 -0.133 0.000 2.658 379 K HA 0.457 4.776 4.320 -0.000 0.000 0.202 379 K C -0.053 176.489 176.600 -0.096 0.000 1.563 379 K CA 0.436 56.658 56.287 -0.109 0.000 1.129 379 K CB 0.551 32.999 32.500 -0.086 0.000 1.507 379 K HN 0.558 nan 8.250 nan 0.000 0.581 380 L N 1.350 122.512 121.223 -0.102 0.000 2.529 380 L HA 0.466 4.806 4.340 -0.000 0.000 0.258 380 L C -1.662 175.157 176.870 -0.085 0.000 1.032 380 L CA -0.407 54.386 54.840 -0.078 0.000 0.899 380 L CB 1.814 43.837 42.059 -0.060 0.000 1.174 380 L HN -0.133 nan 8.230 nan 0.000 0.458 381 V N 5.025 124.904 119.914 -0.058 0.000 2.468 381 V HA 0.347 4.467 4.120 -0.000 0.000 0.256 381 V C 0.622 176.750 176.094 0.058 0.000 0.998 381 V CA -0.456 61.850 62.300 0.010 0.000 1.114 381 V CB 0.357 32.190 31.823 0.017 0.000 1.378 381 V HN 0.579 nan 8.190 nan 0.000 0.573 382 K N 1.604 122.013 120.400 0.014 0.000 2.374 382 K HA 0.493 4.812 4.320 -0.000 0.000 0.196 382 K C 1.001 177.523 176.600 -0.130 0.000 1.023 382 K CA 0.648 56.841 56.287 -0.156 0.000 1.103 382 K CB 1.323 33.699 32.500 -0.207 0.000 0.848 382 K HN 0.802 nan 8.250 nan 0.000 0.528 386 G N 0.566 109.487 108.800 0.201 0.000 3.189 386 G HA2 0.595 4.555 3.960 -0.000 0.000 0.225 386 G HA3 0.595 4.555 3.960 -0.000 0.000 0.225 386 G C 0.900 175.933 174.900 0.222 0.000 1.159 386 G CA 1.591 46.853 45.100 0.271 0.000 0.763 386 G HN 1.265 nan 8.290 nan 0.000 0.549 390 L N 2.229 123.574 121.223 0.204 0.000 2.261 390 L HA -0.101 4.239 4.340 -0.000 0.000 0.216 390 L C 2.112 179.043 176.870 0.102 0.000 1.114 390 L CA 1.404 56.330 54.840 0.143 0.000 0.777 390 L CB -0.087 42.051 42.059 0.133 0.000 0.910 390 L HN 0.098 nan 8.230 nan 0.000 0.440 391 V N -4.972 114.998 119.914 0.095 0.000 3.214 391 V HA 0.182 4.302 4.120 -0.000 0.000 0.330 391 V C 1.629 177.766 176.094 0.073 0.000 1.403 391 V CA 0.414 62.758 62.300 0.074 0.000 1.143 391 V CB 0.213 32.076 31.823 0.067 0.000 1.098 391 V HN 0.331 nan 8.190 nan 0.000 0.463 392 S N 0.379 116.131 115.700 0.087 0.000 2.558 392 S HA 0.172 4.642 4.470 -0.000 0.000 0.217 392 S C 1.001 175.646 174.600 0.074 0.000 0.975 392 S CA 0.427 58.679 58.200 0.087 0.000 0.912 392 S CB -0.322 62.948 63.200 0.117 0.000 0.776 392 S HN 1.115 nan 8.310 nan 0.000 0.526 393 S N -0.262 115.478 115.700 0.066 0.000 2.532 393 S HA 0.820 5.290 4.470 -0.000 0.000 0.301 393 S C 0.772 175.392 174.600 0.033 0.000 1.083 393 S CA -0.346 57.884 58.200 0.050 0.000 1.025 393 S CB 1.687 64.913 63.200 0.043 0.000 1.056 393 S HN 0.339 nan 8.310 nan 0.000 0.494 394 A N 2.258 125.092 122.820 0.025 0.000 2.016 394 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 394 A C 1.726 179.318 177.584 0.014 0.000 1.162 394 A CA 0.611 52.659 52.037 0.019 0.000 0.662 394 A CB -0.491 18.520 19.000 0.017 0.000 0.812 394 A HN 0.871 nan 8.150 nan 0.000 0.450 395 K N 0.189 120.591 120.400 0.003 0.000 2.551 395 K HA 0.051 4.371 4.320 -0.000 0.000 0.192 395 K C -0.598 176.001 176.600 -0.003 0.000 1.027 395 K CA 0.415 56.696 56.287 -0.011 0.000 1.059 395 K CB 0.017 32.490 32.500 -0.046 0.000 0.831 395 K HN 0.266 nan 8.250 nan 0.000 0.508 396 T N 1.413 115.974 114.554 0.012 0.000 2.847 396 T HA 0.124 4.474 4.350 -0.000 0.000 0.291 396 T C -0.758 173.959 174.700 0.029 0.000 0.998 396 T CA -0.731 61.383 62.100 0.024 0.000 0.967 396 T CB 1.633 70.519 68.868 0.030 0.000 0.954 396 T HN 0.048 nan 8.240 nan 0.000 0.441 397 K N 3.278 123.695 120.400 0.028 0.000 2.383 397 K HA 0.379 4.699 4.320 -0.000 0.000 0.286 397 K C -0.228 176.385 176.600 0.022 0.000 1.051 397 K CA -0.417 55.884 56.287 0.023 0.000 0.974 397 K CB 0.349 32.859 32.500 0.016 0.000 0.968 397 K HN 0.431 nan 8.250 nan 0.000 0.475 398 V N 5.366 125.294 119.914 0.023 0.000 2.409 398 V HA 0.553 4.673 4.120 -0.000 0.000 0.291 398 V C -1.138 174.964 176.094 0.013 0.000 1.020 398 V CA -0.623 61.691 62.300 0.023 0.000 0.848 398 V CB 1.474 33.319 31.823 0.036 0.000 0.990 398 V HN 0.589 nan 8.190 nan 0.000 0.430 399 V N 7.669 127.583 119.914 0.000 0.000 2.540 399 V HA 0.851 4.971 4.120 -0.000 0.000 0.302 399 V C -0.376 175.715 176.094 -0.005 0.000 1.035 399 V CA 0.041 62.336 62.300 -0.008 0.000 0.873 399 V CB 1.940 33.742 31.823 -0.034 0.000 0.992 399 V HN 1.609 nan 8.190 nan 0.000 0.428 400 V N 3.939 123.855 119.914 0.002 0.000 2.539 400 V HA 0.940 5.060 4.120 -0.000 0.000 0.292 400 V C 0.249 176.341 176.094 -0.003 0.000 1.045 400 V CA 0.531 62.834 62.300 0.005 0.000 0.945 400 V CB 1.066 32.894 31.823 0.007 0.000 0.993 400 V HN 1.242 nan 8.190 nan 0.000 0.464 404 H N 1.189 120.252 119.070 -0.011 0.000 2.319 404 H HA -0.032 4.524 4.556 -0.000 0.000 0.297 404 H C 0.203 175.552 175.328 0.035 0.000 1.097 404 H CA 2.363 58.425 56.048 0.023 0.000 1.285 404 H CB 0.462 30.241 29.762 0.028 0.000 1.368 404 H HN 0.193 nan 8.280 nan 0.000 0.495 405 S N -1.423 114.361 115.700 0.139 0.000 2.599 405 S HA 0.715 5.185 4.470 -0.000 0.000 0.287 405 S C -0.816 173.803 174.600 0.033 0.000 1.105 405 S CA -0.510 57.742 58.200 0.086 0.000 0.899 405 S CB 2.143 65.416 63.200 0.123 0.000 1.100 405 S HN 0.559 nan 8.310 nan 0.000 0.482 406 A N 1.243 124.071 122.820 0.013 0.000 2.252 406 A HA 0.707 5.027 4.320 -0.000 0.000 0.305 406 A C -0.050 177.529 177.584 -0.009 0.000 1.097 406 A CA -0.558 51.478 52.037 -0.002 0.000 0.849 406 A CB -0.009 18.987 19.000 -0.006 0.000 1.142 406 A HN 0.691 nan 8.150 nan 0.000 0.499 407 K N 0.178 120.571 120.400 -0.012 0.000 2.464 407 K HA 0.142 4.462 4.320 -0.000 0.000 0.265 407 K C 1.026 177.614 176.600 -0.020 0.000 1.055 407 K CA 1.888 58.166 56.287 -0.015 0.000 1.161 407 K CB -0.913 31.578 32.500 -0.015 0.000 0.804 407 K HN 2.082 nan 8.250 nan 0.000 0.486 408 G N 3.766 112.554 108.800 -0.020 0.000 2.182 408 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.248 408 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.248 408 G C 0.191 175.069 174.900 -0.037 0.000 1.042 408 G CA 0.369 45.453 45.100 -0.026 0.000 0.775 408 G HN 1.099 nan 8.290 nan 0.000 0.501 409 N N -1.801 116.881 118.700 -0.030 0.000 2.705 409 N HA -0.067 4.673 4.740 -0.000 0.000 0.255 409 N C 0.566 176.022 175.510 -0.090 0.000 1.008 409 N CA 1.084 54.111 53.050 -0.038 0.000 0.742 409 N CB -0.855 37.609 38.487 -0.037 0.000 0.906 409 N HN 1.762 nan 8.380 nan 0.000 0.541 410 A N 0.998 123.775 122.820 -0.071 0.000 2.309 410 A HA 0.417 4.737 4.320 -0.000 0.000 0.298 410 A C -0.053 177.500 177.584 -0.053 0.000 1.165 410 A CA -0.463 51.514 52.037 -0.099 0.000 0.821 410 A CB 0.396 19.369 19.000 -0.046 0.000 1.102 410 A HN 0.465 nan 8.150 nan 0.000 0.500 411 H N 1.435 120.513 119.070 0.013 0.000 3.001 411 H HA 0.047 4.603 4.556 -0.001 0.000 0.334 411 H C 0.617 175.927 175.328 -0.029 0.000 1.034 411 H CA 0.796 56.845 56.048 0.003 0.000 1.420 411 H CB 0.893 30.656 29.762 0.001 0.000 1.405 411 H HN 0.750 nan 8.280 nan 0.000 0.593 412 K N 2.467 122.913 120.400 0.076 0.000 2.387 412 K HA 0.239 4.559 4.320 -0.000 0.000 0.197 412 K C 0.770 177.327 176.600 -0.071 0.000 1.127 412 K CA 0.217 56.494 56.287 -0.016 0.000 0.950 412 K CB 0.915 33.382 32.500 -0.055 0.000 1.017 412 K HN 0.380 nan 8.250 nan 0.000 0.519 416 K N 0.950 121.343 120.400 -0.012 0.000 2.464 416 K HA 0.503 4.822 4.320 -0.000 0.000 0.253 416 K C -0.296 176.300 176.600 -0.007 0.000 0.933 416 K CA -0.528 55.762 56.287 0.005 0.000 0.801 416 K CB 2.171 34.679 32.500 0.013 0.000 1.271 416 K HN 0.079 nan 8.250 nan 0.000 0.430 417 C N 1.140 120.438 119.300 -0.003 0.000 2.657 417 C HA 0.164 4.624 4.460 -0.000 0.000 0.404 417 C C 2.144 177.130 174.990 -0.007 0.000 1.291 417 C CA -0.078 58.936 59.018 -0.006 0.000 2.218 417 C CB 0.232 27.973 27.740 0.003 0.000 2.687 417 C HN 0.786 nan 8.230 nan 0.000 0.634 418 T N 1.296 115.843 114.554 -0.012 0.000 2.953 418 T HA 0.105 4.455 4.350 -0.000 0.000 0.247 418 T C 0.721 175.403 174.700 -0.030 0.000 1.029 418 T CA 0.534 62.624 62.100 -0.017 0.000 1.144 418 T CB -0.060 68.798 68.868 -0.016 0.000 0.870 418 T HN 0.435 nan 8.240 nan 0.000 0.446 419 L N 3.209 124.408 121.223 -0.041 0.000 2.464 419 L HA 0.267 4.607 4.340 -0.000 0.000 0.264 419 L C -1.909 174.923 176.870 -0.064 0.000 1.199 419 L CA -2.051 52.743 54.840 -0.076 0.000 0.818 419 L CB -0.209 41.794 42.059 -0.093 0.000 1.102 419 L HN 0.080 nan 8.230 nan 0.000 0.473 420 P HA 0.021 nan 4.420 nan 0.000 0.265 420 P C -0.576 176.795 177.300 0.118 0.000 1.193 420 P CA 0.066 63.148 63.100 -0.031 0.000 0.765 420 P CB 0.481 32.090 31.700 -0.151 0.000 0.823 421 L N 2.742 124.087 121.223 0.204 0.000 2.467 421 L HA 0.083 4.422 4.340 -0.000 0.000 0.270 421 L C 1.810 178.928 176.870 0.413 0.000 1.205 421 L CA 0.170 55.152 54.840 0.237 0.000 0.828 421 L CB -0.183 41.942 42.059 0.111 0.000 1.101 421 L HN 0.405 nan 8.230 nan 0.000 0.479 422 T N -0.108 114.613 114.554 0.277 0.000 3.015 422 T HA 0.263 4.613 4.350 -0.000 0.000 0.250 422 T C 0.402 175.130 174.700 0.047 0.000 1.057 422 T CA 0.440 62.631 62.100 0.151 0.000 1.066 422 T CB 0.608 69.587 68.868 0.186 0.000 0.959 422 T HN 0.844 nan 8.240 nan 0.000 0.488 423 G N 0.717 109.557 108.800 0.067 0.000 2.473 423 G HA2 0.442 4.402 3.960 -0.000 0.000 0.298 423 G HA3 0.442 4.402 3.960 -0.000 0.000 0.298 423 G C -1.882 173.043 174.900 0.043 0.000 1.575 423 G CA -0.949 44.178 45.100 0.045 0.000 0.846 423 G HN 0.018 nan 8.290 nan 0.000 0.585 424 K N 1.120 121.540 120.400 0.035 0.000 2.172 424 K HA 0.366 4.686 4.320 -0.000 0.000 0.276 424 K C 0.227 176.861 176.600 0.057 0.000 1.013 424 K CA -0.436 55.870 56.287 0.033 0.000 0.913 424 K CB 0.994 33.494 32.500 0.001 0.000 1.055 424 K HN 0.670 nan 8.250 nan 0.000 0.461 425 Q N 0.481 120.317 119.800 0.060 0.000 2.426 425 Q HA -0.245 4.095 4.340 -0.000 0.000 0.359 425 Q C 0.370 176.405 176.000 0.058 0.000 1.381 425 Q CA 0.453 56.298 55.803 0.070 0.000 1.060 425 Q CB -1.855 26.921 28.738 0.063 0.000 1.253 425 Q HN 0.872 nan 8.270 nan 0.000 0.363 426 C N -4.261 115.071 119.300 0.054 0.000 3.757 426 C HA 0.436 4.896 4.460 -0.000 0.000 0.358 426 C C 0.825 175.841 174.990 0.043 0.000 1.484 426 C CA -0.410 58.637 59.018 0.049 0.000 1.862 426 C CB -0.104 27.667 27.740 0.053 0.000 2.654 426 C HN 0.349 nan 8.230 nan 0.000 0.699 427 V N 3.694 123.632 119.914 0.039 0.000 2.498 427 V HA 0.236 4.356 4.120 -0.000 0.000 0.279 427 V C 0.427 176.539 176.094 0.030 0.000 1.048 427 V CA 0.607 62.925 62.300 0.030 0.000 0.967 427 V CB 0.886 32.719 31.823 0.017 0.000 0.988 427 V HN 0.479 nan 8.190 nan 0.000 0.473 428 N N 2.757 121.473 118.700 0.028 0.000 2.415 428 N HA 0.181 4.921 4.740 -0.000 0.000 0.174 428 N C 0.505 176.033 175.510 0.031 0.000 1.048 428 N CA -0.055 53.013 53.050 0.030 0.000 0.895 428 N CB 0.437 38.940 38.487 0.026 0.000 1.036 428 N HN 0.643 nan 8.380 nan 0.000 0.449 429 R N 0.472 120.988 120.500 0.026 0.000 2.604 429 R HA 0.459 4.799 4.340 -0.000 0.000 0.270 429 R C -2.158 174.163 176.300 0.035 0.000 1.052 429 R CA -0.419 55.702 56.100 0.035 0.000 0.902 429 R CB 1.137 31.447 30.300 0.017 0.000 1.233 429 R HN -0.099 nan 8.270 nan 0.000 0.455 430 I N 5.237 125.850 120.570 0.072 0.000 2.433 430 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 430 I C -0.411 175.757 176.117 0.085 0.000 1.001 430 I CA -0.834 60.509 61.300 0.073 0.000 1.119 430 I CB 2.001 40.054 38.000 0.089 0.000 1.289 430 I HN 0.483 nan 8.210 nan 0.000 0.438 431 I N 5.575 126.168 120.570 0.038 0.000 2.448 431 I HA 0.259 4.429 4.170 -0.000 0.000 0.281 431 I C 0.316 176.444 176.117 0.018 0.000 1.027 431 I CA -0.231 61.079 61.300 0.017 0.000 1.111 431 I CB 1.824 39.812 38.000 -0.021 0.000 1.236 431 I HN 0.645 nan 8.210 nan 0.000 0.452 432 T N 1.039 115.624 114.554 0.051 0.000 2.876 432 T HA 0.283 4.633 4.350 -0.000 0.000 0.277 432 T C 1.016 175.711 174.700 -0.009 0.000 0.997 432 T CA -0.513 61.621 62.100 0.058 0.000 0.966 432 T CB 1.525 70.519 68.868 0.210 0.000 1.312 432 T HN 0.590 nan 8.240 nan 0.000 0.598 433 E N 0.237 120.405 120.200 -0.053 0.000 2.435 433 E HA 0.010 4.360 4.350 -0.000 0.000 0.195 433 E C 1.241 177.674 176.600 -0.279 0.000 1.029 433 E CA 0.696 56.968 56.400 -0.213 0.000 0.865 433 E CB -0.079 29.461 29.700 -0.266 0.000 0.833 433 E HN 0.755 nan 8.360 nan 0.000 0.510 434 K N 0.165 120.500 120.400 -0.108 0.000 2.262 434 K HA 0.358 4.678 4.320 -0.000 0.000 0.200 434 K C 0.865 177.446 176.600 -0.031 0.000 1.058 434 K CA 0.778 57.014 56.287 -0.085 0.000 0.974 434 K CB 0.803 33.171 32.500 -0.219 0.000 0.910 434 K HN 0.134 nan 8.250 nan 0.000 0.484 435 A N 0.605 123.405 122.820 -0.033 0.000 2.564 435 A HA 0.659 4.978 4.320 -0.000 0.000 0.288 435 A C -1.516 175.967 177.584 -0.167 0.000 1.164 435 A CA -0.592 51.337 52.037 -0.181 0.000 0.712 435 A CB 1.848 20.570 19.000 -0.463 0.000 1.303 435 A HN -0.100 nan 8.150 nan 0.000 0.418 436 V N 0.615 120.341 119.914 -0.312 0.000 2.525 436 V HA 0.549 4.669 4.120 -0.000 0.000 0.299 436 V C -1.503 174.410 176.094 -0.302 0.000 1.034 436 V CA -0.155 62.037 62.300 -0.180 0.000 0.863 436 V CB 1.044 32.804 31.823 -0.105 0.000 0.999 436 V HN 0.670 nan 8.190 nan 0.000 0.423 437 F N 1.978 121.890 119.950 -0.063 0.000 2.480 437 F HA 0.585 5.112 4.527 0.000 0.000 0.329 437 F C 0.299 176.072 175.800 -0.045 0.000 1.091 437 F CA -0.622 57.335 58.000 -0.072 0.000 0.972 437 F CB 1.669 40.611 39.000 -0.097 0.000 1.150 437 F HN 0.354 nan 8.300 nan 0.000 0.467 438 D N 1.536 122.040 120.400 0.173 0.000 2.168 438 D HA 0.417 5.057 4.640 -0.000 0.000 0.246 438 D C -1.113 175.250 176.300 0.105 0.000 1.050 438 D CA -0.035 54.025 54.000 0.099 0.000 0.857 438 D CB 2.166 43.006 40.800 0.067 0.000 1.169 438 D HN 0.318 nan 8.370 nan 0.000 0.453 439 V N 1.747 121.701 119.914 0.067 0.000 2.604 439 V HA 0.563 4.683 4.120 -0.000 0.000 0.305 439 V C -1.338 174.788 176.094 0.054 0.000 1.043 439 V CA -0.623 61.701 62.300 0.041 0.000 0.888 439 V CB 2.162 33.987 31.823 0.003 0.000 0.995 439 V HN 0.476 nan 8.190 nan 0.000 0.429 440 D N 3.633 124.076 120.400 0.070 0.000 2.498 440 D HA 0.471 5.111 4.640 -0.000 0.000 0.247 440 D C 1.084 177.481 176.300 0.161 0.000 1.070 440 D CA -0.616 53.442 54.000 0.096 0.000 0.842 440 D CB 2.121 42.976 40.800 0.092 0.000 1.361 440 D HN 0.565 nan 8.370 nan 0.000 0.484 441 R N 2.055 122.634 120.500 0.132 0.000 2.119 441 R HA -0.160 4.180 4.340 -0.000 0.000 0.246 441 R C 1.247 177.643 176.300 0.160 0.000 1.146 441 R CA 1.139 57.324 56.100 0.141 0.000 0.962 441 R CB -0.131 30.204 30.300 0.059 0.000 0.863 441 R HN 0.383 nan 8.270 nan 0.000 0.442 442 K N 0.998 121.472 120.400 0.122 0.000 2.108 442 K HA -0.020 4.300 4.320 -0.000 0.000 0.204 442 K C 1.898 178.632 176.600 0.224 0.000 1.036 442 K CA 1.206 57.538 56.287 0.075 0.000 0.965 442 K CB -0.110 32.408 32.500 0.030 0.000 0.804 442 K HN 0.269 nan 8.250 nan 0.000 0.454 443 K N 0.489 121.008 120.400 0.198 0.000 2.525 443 K HA 0.127 4.447 4.320 -0.000 0.000 0.192 443 K C 0.851 177.564 176.600 0.189 0.000 1.029 443 K CA 0.678 57.079 56.287 0.190 0.000 1.029 443 K CB 0.052 32.618 32.500 0.109 0.000 0.814 443 K HN 0.170 nan 8.250 nan 0.000 0.503 444 G N 1.867 110.784 108.800 0.196 0.000 2.508 444 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 444 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 444 G C -0.693 174.167 174.900 -0.067 0.000 1.287 444 G CA -0.249 44.760 45.100 -0.152 0.000 0.916 444 G HN 0.399 nan 8.290 nan 0.000 0.574 445 L N -1.325 119.836 121.223 -0.103 0.000 2.325 445 L HA 0.949 5.289 4.340 -0.000 0.000 0.278 445 L C 0.404 177.379 176.870 0.176 0.000 1.023 445 L CA -0.186 54.655 54.840 0.001 0.000 0.811 445 L CB 2.132 44.084 42.059 -0.179 0.000 1.249 445 L HN 1.312 nan 8.230 nan 0.000 0.431 446 T N 0.459 115.166 114.554 0.256 0.000 2.893 446 T HA 0.589 4.939 4.350 -0.000 0.000 0.291 446 T C -0.726 174.136 174.700 0.270 0.000 1.028 446 T CA -0.766 61.505 62.100 0.285 0.000 0.995 446 T CB 1.884 70.849 68.868 0.163 0.000 1.051 446 T HN 0.661 nan 8.240 nan 0.000 0.470 447 L N 4.187 125.485 121.223 0.125 0.000 2.290 447 L HA 0.571 4.911 4.340 -0.000 0.000 0.284 447 L C 0.693 177.480 176.870 -0.139 0.000 1.078 447 L CA -0.451 54.228 54.840 -0.268 0.000 0.815 447 L CB 0.289 42.118 42.059 -0.384 0.000 1.162 447 L HN 0.849 nan 8.230 nan 0.000 0.435 448 I N -0.261 120.201 120.570 -0.179 0.000 4.403 448 I HA 0.466 4.636 4.170 -0.000 0.000 0.331 448 I C -0.312 175.743 176.117 -0.104 0.000 1.327 448 I CA -0.183 61.061 61.300 -0.093 0.000 1.175 448 I CB 0.364 38.334 38.000 -0.049 0.000 1.165 448 I HN 0.490 nan 8.210 nan 0.000 0.413 449 E N 2.268 122.371 120.200 -0.161 0.000 2.304 449 E HA 0.553 4.903 4.350 -0.000 0.000 0.277 449 E C -1.754 174.758 176.600 -0.146 0.000 0.898 449 E CA -0.607 55.722 56.400 -0.117 0.000 0.764 449 E CB 3.541 33.193 29.700 -0.080 0.000 1.216 449 E HN 0.135 nan 8.360 nan 0.000 0.419 450 L N 2.774 123.944 121.223 -0.088 0.000 2.386 450 L HA 0.488 4.828 4.340 -0.000 0.000 0.271 450 L C -1.153 175.730 176.870 0.022 0.000 0.993 450 L CA -0.939 53.864 54.840 -0.062 0.000 0.819 450 L CB 1.366 43.383 42.059 -0.071 0.000 1.294 450 L HN 0.666 nan 8.230 nan 0.000 0.414 451 W N 4.643 125.876 121.300 -0.111 0.000 2.216 451 W HA 0.152 4.812 4.660 -0.000 0.000 0.326 451 W C 0.345 176.825 176.519 -0.065 0.000 1.319 451 W CA -0.341 56.955 57.345 -0.082 0.000 1.213 451 W CB 0.552 29.965 29.460 -0.077 0.000 1.171 451 W HN 0.484 nan 8.180 nan 0.000 0.557 452 E N 4.390 124.060 120.200 -0.884 0.000 2.614 452 E HA 0.265 4.615 4.350 -0.000 0.000 0.245 452 E C 0.935 177.033 176.600 -0.836 0.000 1.039 452 E CA 0.856 56.790 56.400 -0.776 0.000 0.948 452 E CB -0.050 29.199 29.700 -0.752 0.000 0.937 452 E HN 0.840 nan 8.360 nan 0.000 0.498 453 G N 3.282 111.853 108.800 -0.382 0.000 2.352 453 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.204 453 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.204 453 G C 0.144 175.012 174.900 -0.053 0.000 1.004 453 G CA -0.149 44.819 45.100 -0.221 0.000 0.648 453 G HN 0.436 nan 8.290 nan 0.000 0.491 454 L N 1.679 122.904 121.223 0.005 0.000 2.431 454 L HA 0.749 5.089 4.340 -0.000 0.000 0.260 454 L C 1.044 177.920 176.870 0.010 0.000 1.098 454 L CA -0.158 54.712 54.840 0.051 0.000 0.800 454 L CB 1.603 43.728 42.059 0.110 0.000 1.210 454 L HN 0.424 nan 8.230 nan 0.000 0.465 455 T N -3.129 111.438 114.554 0.021 0.000 2.926 455 T HA 0.334 4.684 4.350 -0.000 0.000 0.289 455 T C 0.823 175.553 174.700 0.049 0.000 1.054 455 T CA -0.784 61.330 62.100 0.022 0.000 1.015 455 T CB 1.640 70.523 68.868 0.024 0.000 1.167 455 T HN 0.158 nan 8.240 nan 0.000 0.526 456 V N 1.146 121.102 119.914 0.071 0.000 2.568 456 V HA -0.142 3.978 4.120 -0.000 0.000 0.253 456 V C 2.311 178.518 176.094 0.188 0.000 1.072 456 V CA 2.062 64.453 62.300 0.152 0.000 1.084 456 V CB -0.777 31.143 31.823 0.161 0.000 0.676 456 V HN 0.875 nan 8.190 nan 0.000 0.469 457 D N -0.152 120.315 120.400 0.111 0.000 2.117 457 D HA -0.134 4.506 4.640 -0.000 0.000 0.198 457 D C 1.908 178.273 176.300 0.108 0.000 0.982 457 D CA 1.233 55.293 54.000 0.099 0.000 0.828 457 D CB -0.221 40.614 40.800 0.058 0.000 0.967 457 D HN 0.412 nan 8.370 nan 0.000 0.464 458 D N 0.566 121.013 120.400 0.079 0.000 2.133 458 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 458 D C 2.095 178.434 176.300 0.064 0.000 0.997 458 D CA 0.520 54.554 54.000 0.057 0.000 0.840 458 D CB -0.141 40.678 40.800 0.032 0.000 0.947 458 D HN 0.217 nan 8.370 nan 0.000 0.452 459 I N 0.632 121.253 120.570 0.085 0.000 2.439 459 I HA -0.167 4.003 4.170 -0.000 0.000 0.251 459 I C 2.227 178.558 176.117 0.357 0.000 1.139 459 I CA 0.734 62.094 61.300 0.099 0.000 1.438 459 I CB -0.863 37.144 38.000 0.013 0.000 1.085 459 I HN -0.017 nan 8.210 nan 0.000 0.427 460 K N 2.649 123.297 120.400 0.414 0.000 2.063 460 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 460 K C 1.752 178.511 176.600 0.266 0.000 1.048 460 K CA 1.662 58.169 56.287 0.366 0.000 0.928 460 K CB -0.182 32.415 32.500 0.161 0.000 0.713 460 K HN 0.441 nan 8.250 nan 0.000 0.442 461 K N -0.977 119.548 120.400 0.209 0.000 2.476 461 K HA 0.162 4.482 4.320 -0.000 0.000 0.196 461 K C 0.248 177.005 176.600 0.261 0.000 1.025 461 K CA 0.428 56.835 56.287 0.200 0.000 1.138 461 K CB 0.592 33.163 32.500 0.119 0.000 0.860 461 K HN -0.100 nan 8.250 nan 0.000 0.515 462 S N 0.467 116.360 115.700 0.321 0.000 2.846 462 S HA 0.120 4.590 4.470 -0.000 0.000 0.249 462 S C -0.701 174.251 174.600 0.587 0.000 1.028 462 S CA -0.433 57.996 58.200 0.382 0.000 1.043 462 S CB 1.126 64.445 63.200 0.198 0.000 0.990 462 S HN 0.253 nan 8.310 nan 0.000 0.564 463 T N 0.743 115.562 114.554 0.442 0.000 2.906 463 T HA 0.353 4.703 4.350 -0.000 0.000 0.302 463 T C 1.299 175.764 174.700 -0.390 0.000 1.002 463 T CA -0.528 61.662 62.100 0.150 0.000 0.988 463 T CB 1.526 70.584 68.868 0.317 0.000 0.972 463 T HN 0.191 nan 8.240 nan 0.000 0.447 464 G N 1.611 109.830 108.800 -0.968 0.000 2.532 464 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.222 464 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.222 464 G C 0.899 175.559 174.900 -0.399 0.000 1.102 464 G CA 1.039 45.506 45.100 -1.056 0.000 0.742 464 G HN 0.915 nan 8.290 nan 0.000 0.577 465 C N -0.859 118.298 119.300 -0.239 0.000 3.119 465 C HA 0.760 5.220 4.460 -0.000 0.000 0.359 465 C C -0.526 174.422 174.990 -0.070 0.000 1.486 465 C CA -0.925 58.009 59.018 -0.140 0.000 1.556 465 C CB 1.714 29.363 27.740 -0.152 0.000 2.063 465 C HN 0.347 nan 8.230 nan 0.000 0.454 466 D N 0.254 120.592 120.400 -0.104 0.000 2.294 466 D HA 0.691 5.330 4.640 -0.000 0.000 0.250 466 D C -0.613 175.631 176.300 -0.093 0.000 1.058 466 D CA -0.181 53.704 54.000 -0.192 0.000 0.950 466 D CB 0.794 41.484 40.800 -0.183 0.000 1.158 466 D HN 0.787 nan 8.370 nan 0.000 0.453 467 F N -2.398 117.551 119.950 -0.001 0.000 2.631 467 F HA 0.762 5.289 4.527 0.000 0.000 0.308 467 F C -0.811 175.034 175.800 0.075 0.000 1.097 467 F CA -1.726 56.298 58.000 0.040 0.000 0.952 467 F CB 0.836 39.928 39.000 0.154 0.000 1.307 467 F HN 0.517 nan 8.300 nan 0.000 0.450 468 A N 1.146 124.156 122.820 0.317 0.000 2.287 468 A HA 0.734 5.054 4.320 -0.000 0.000 0.273 468 A C -0.952 176.827 177.584 0.325 0.000 1.091 468 A CA -0.658 51.510 52.037 0.218 0.000 0.817 468 A CB 0.867 19.951 19.000 0.140 0.000 1.069 468 A HN 0.852 nan 8.150 nan 0.000 0.492 469 V N 1.626 121.662 119.914 0.203 0.000 2.378 469 V HA 0.337 4.457 4.120 -0.000 0.000 0.288 469 V C 0.644 176.792 176.094 0.092 0.000 1.016 469 V CA -0.452 61.950 62.300 0.170 0.000 0.840 469 V CB 1.249 33.163 31.823 0.152 0.000 0.994 469 V HN 0.993 nan 8.190 nan 0.000 0.431 470 S N 7.273 123.011 115.700 0.065 0.000 2.549 470 S HA 0.165 4.635 4.470 -0.000 0.000 0.286 470 S C -0.627 173.989 174.600 0.027 0.000 1.314 470 S CA -0.664 57.559 58.200 0.039 0.000 1.062 470 S CB 0.885 64.097 63.200 0.021 0.000 0.865 470 S HN 0.713 nan 8.310 nan 0.000 0.498 471 P HA 0.013 nan 4.420 nan 0.000 0.230 471 P C -0.003 177.301 177.300 0.007 0.000 1.158 471 P CA 0.749 63.858 63.100 0.016 0.000 0.769 471 P CB 0.149 31.858 31.700 0.015 0.000 0.807 472 K N 0.240 120.643 120.400 0.005 0.000 2.832 472 K HA 0.212 4.532 4.320 -0.000 0.000 0.211 472 K C 0.272 176.866 176.600 -0.011 0.000 1.112 472 K CA -1.063 55.222 56.287 -0.003 0.000 1.108 472 K CB -0.371 32.128 32.500 -0.001 0.000 0.899 472 K HN 0.127 nan 8.250 nan 0.000 0.464 473 L N 2.579 123.794 121.223 -0.012 0.000 2.534 473 L HA 0.148 4.488 4.340 -0.000 0.000 0.271 473 L C 0.047 176.897 176.870 -0.033 0.000 1.178 473 L CA 0.195 55.019 54.840 -0.027 0.000 0.907 473 L CB -0.132 41.913 42.059 -0.023 0.000 1.164 473 L HN 0.251 nan 8.230 nan 0.000 0.482 474 I N 4.080 124.626 120.570 -0.040 0.000 2.910 474 I HA 0.732 4.902 4.170 -0.000 0.000 0.310 474 I C -2.341 173.746 176.117 -0.051 0.000 1.043 474 I CA -2.348 58.927 61.300 -0.041 0.000 1.053 474 I CB 1.770 39.750 38.000 -0.034 0.000 1.242 474 I HN 0.435 nan 8.210 nan 0.000 0.452 478 Q N 0.322 120.134 119.800 0.019 0.000 2.553 478 Q HA 0.738 5.078 4.340 -0.000 0.000 0.293 478 Q C -1.256 174.741 176.000 -0.004 0.000 1.038 478 Q CA -0.756 55.047 55.803 0.002 0.000 0.777 478 Q CB 3.078 31.832 28.738 0.027 0.000 1.487 478 Q HN 0.584 nan 8.270 nan 0.000 0.426 479 V N -2.011 117.888 119.914 -0.025 0.000 2.757 479 V HA 0.361 4.481 4.120 -0.000 0.000 0.262 479 V C -0.024 176.105 176.094 0.059 0.000 0.971 479 V CA -0.533 61.778 62.300 0.019 0.000 0.906 479 V CB 0.923 32.772 31.823 0.043 0.000 1.056 479 V HN 0.758 nan 8.190 nan 0.000 0.489 480 T N 1.950 116.558 114.554 0.090 0.000 3.081 480 T HA 0.292 4.642 4.350 -0.000 0.000 0.250 480 T C 0.671 175.470 174.700 0.165 0.000 1.100 480 T CA 1.448 63.659 62.100 0.185 0.000 1.038 480 T CB 0.156 69.106 68.868 0.136 0.000 0.962 480 T HN 0.867 nan 8.240 nan 0.000 0.516 481 T N 0.000 114.620 114.554 0.110 0.000 3.816 481 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 481 T CA 0.000 62.148 62.100 0.080 0.000 1.349 481 T CB 0.000 68.902 68.868 0.056 0.000 0.612 481 T HN 0.000 nan 8.240 nan 0.000 0.658