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 2jj2_1_J DATA FIRST_RESID 16 DATA SEQUENCE ILGADTSVDL EETGRVLSIG DGIARVHGLR NVQAEEMVEF SSGLKGMSLN DATA SEQUENCE LEPDNVGVVV FGNDKLIKEG DIVKRTGAIV DVPVGEELLG RVVDALGNAI DATA SEQUENCE DGKGPIGSKA RRRVGLKAPG IIPRISVREP MQTGIKAVDS LVPIGRGQRE DATA SEQUENCE LIIGDRQTGK TSIAIDTIIN QKRFNDGTDE KKKLYCIYVA IGQKRSTVAQ DATA SEQUENCE LVKRLTDADA MKYTIVVSAT ASDAAPLQYL APYSGCSMGE YFRDNGKHAL DATA SEQUENCE IIYDDLSKQA VAYRQMSLLL RRPPGREAYP GDVFYLHSRL LERAAKMNDA DATA SEQUENCE FGGGSLTALP VIETQAGDVS AYIPTNVISI TDGQIFLETE LFYKGIRPAI DATA SEQUENCE NVGLSVSRVG SAAQTRAMKQ VAGTMKLELA QYREVAAFAQ FGSDLDAATQ DATA SEQUENCE QLLSRGVRLT ELLKQGQYSP MAIEEQVAVI YAGVRGYLDK LEPSKITKFE DATA SEQUENCE NAFLSHVISQ HQALLSKIRT DGKISEESDA KLKEIVTNFL AGFEA 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 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.118 176.117 0.001 0.000 1.063 16 I CA 0.000 61.301 61.300 0.001 0.000 1.566 16 I CB 0.000 38.001 38.000 0.001 0.000 1.214 17 L N 2.994 124.217 121.223 0.001 0.000 2.375 17 L HA 0.888 5.228 4.340 0.001 0.000 0.271 17 L C 0.785 177.655 176.870 0.001 0.000 1.107 17 L CA 0.030 54.871 54.840 0.001 0.000 0.806 17 L CB 0.332 42.392 42.059 0.002 0.000 1.146 17 L HN 0.620 nan 8.230 nan 0.000 0.447 18 G N 1.191 109.992 108.800 0.001 0.000 2.340 18 G HA2 0.446 4.406 3.960 0.001 0.000 0.245 18 G HA3 0.446 4.406 3.960 0.001 0.000 0.245 18 G C 0.177 175.078 174.900 0.001 0.000 1.294 18 G CA -0.061 45.039 45.100 0.001 0.000 0.896 18 G HN 1.151 nan 8.290 nan 0.000 0.522 19 A N 2.755 125.576 122.820 0.001 0.000 2.445 19 A HA 0.316 4.636 4.320 0.001 0.000 0.242 19 A C 0.662 178.247 177.584 0.002 0.000 1.075 19 A CA -0.350 51.688 52.037 0.002 0.000 0.777 19 A CB 0.364 19.365 19.000 0.002 0.000 1.013 19 A HN 0.681 nan 8.150 nan 0.000 0.493 20 D N 1.629 122.030 120.400 0.002 0.000 2.382 20 D HA 0.104 4.744 4.640 0.001 0.000 0.259 20 D C 1.085 177.386 176.300 0.002 0.000 1.224 20 D CA 1.043 55.044 54.000 0.002 0.000 0.894 20 D CB 0.540 41.342 40.800 0.003 0.000 1.127 20 D HN 0.545 nan 8.370 nan 0.000 0.487 21 T N -0.574 113.980 114.554 -0.000 0.000 3.214 21 T HA 0.040 4.391 4.350 0.001 0.000 0.264 21 T C 1.447 176.145 174.700 -0.004 0.000 1.012 21 T CA -0.018 62.081 62.100 -0.002 0.000 0.901 21 T CB -0.117 68.749 68.868 -0.003 0.000 1.070 21 T HN 0.209 nan 8.240 nan 0.000 0.561 22 S N 0.464 116.162 115.700 -0.002 0.000 2.527 22 S HA 0.105 4.575 4.470 0.001 0.000 0.222 22 S C 0.938 175.534 174.600 -0.006 0.000 0.985 22 S CA -0.098 58.099 58.200 -0.004 0.000 0.921 22 S CB -0.258 62.941 63.200 -0.002 0.000 0.772 22 S HN 0.342 nan 8.310 nan 0.000 0.529 23 V N 3.766 123.677 119.914 -0.004 0.000 2.759 23 V HA 0.209 4.329 4.120 0.001 0.000 0.342 23 V C -0.202 175.888 176.094 -0.007 0.000 1.228 23 V CA -0.779 61.518 62.300 -0.006 0.000 1.302 23 V CB -0.282 31.542 31.823 0.002 0.000 1.496 23 V HN 0.575 nan 8.190 nan 0.000 0.628 24 D N 0.667 121.060 120.400 -0.012 0.000 2.414 24 D HA 0.020 4.661 4.640 0.001 0.000 0.242 24 D C 0.687 176.969 176.300 -0.030 0.000 1.129 24 D CA -0.248 53.742 54.000 -0.016 0.000 0.885 24 D CB 1.847 42.638 40.800 -0.016 0.000 1.198 24 D HN 0.293 nan 8.370 nan 0.000 0.437 25 L N 1.176 122.376 121.223 -0.039 0.000 2.801 25 L HA 0.038 4.379 4.340 0.001 0.000 0.250 25 L C 1.470 178.287 176.870 -0.088 0.000 1.222 25 L CA 0.285 55.080 54.840 -0.076 0.000 1.054 25 L CB -0.548 41.445 42.059 -0.110 0.000 1.330 25 L HN 0.471 nan 8.230 nan 0.000 0.426 26 E N -0.746 119.418 120.200 -0.061 0.000 2.354 26 E HA 0.005 4.355 4.350 0.001 0.000 0.203 26 E C 1.277 177.847 176.600 -0.051 0.000 0.841 26 E CA 0.028 56.395 56.400 -0.055 0.000 1.046 26 E CB 0.558 30.234 29.700 -0.040 0.000 1.040 26 E HN 0.274 nan 8.360 nan 0.000 0.504 27 E N 0.539 120.712 120.200 -0.045 0.000 2.481 27 E HA 0.055 4.405 4.350 0.001 0.000 0.198 27 E C 0.383 176.951 176.600 -0.052 0.000 1.027 27 E CA 0.468 56.843 56.400 -0.043 0.000 0.900 27 E CB 1.174 30.855 29.700 -0.032 0.000 0.993 27 E HN 0.225 nan 8.360 nan 0.000 0.482 28 T N -2.684 111.835 114.554 -0.058 0.000 2.864 28 T HA 0.761 5.111 4.350 0.001 0.000 0.299 28 T C 0.115 174.770 174.700 -0.074 0.000 1.166 28 T CA -0.598 61.463 62.100 -0.065 0.000 1.007 28 T CB 2.535 71.375 68.868 -0.046 0.000 1.219 28 T HN -0.023 nan 8.240 nan 0.000 0.506 29 G N 0.299 109.053 108.800 -0.077 0.000 2.725 29 G HA2 0.714 4.674 3.960 0.001 0.000 0.288 29 G HA3 0.714 4.674 3.960 0.001 0.000 0.288 29 G C -1.703 173.186 174.900 -0.019 0.000 1.399 29 G CA -1.190 43.873 45.100 -0.062 0.000 0.859 29 G HN 0.811 nan 8.290 nan 0.000 0.479 30 R N -0.482 120.044 120.500 0.043 0.000 2.561 30 R HA 0.505 4.846 4.340 0.001 0.000 0.297 30 R C -0.616 175.738 176.300 0.091 0.000 0.969 30 R CA -0.700 55.442 56.100 0.070 0.000 0.879 30 R CB 2.547 32.903 30.300 0.094 0.000 1.178 30 R HN 0.342 nan 8.270 nan 0.000 0.445 31 V N 5.440 125.409 119.914 0.092 0.000 2.509 31 V HA -0.072 4.049 4.120 0.001 0.000 0.297 31 V C 1.388 177.527 176.094 0.076 0.000 1.014 31 V CA 0.632 62.998 62.300 0.110 0.000 1.127 31 V CB 0.211 32.127 31.823 0.155 0.000 0.925 31 V HN 0.740 nan 8.190 nan 0.000 0.480 32 L N 3.977 125.240 121.223 0.068 0.000 2.202 32 L HA 0.123 4.464 4.340 0.001 0.000 0.205 32 L C 0.941 177.826 176.870 0.025 0.000 1.083 32 L CA 0.944 55.805 54.840 0.035 0.000 0.790 32 L CB 0.055 42.134 42.059 0.033 0.000 0.942 32 L HN 0.857 nan 8.230 nan 0.000 0.452 33 S N -1.071 114.649 115.700 0.034 0.000 2.547 33 S HA 0.638 5.108 4.470 0.001 0.000 0.270 33 S C -1.114 173.499 174.600 0.021 0.000 1.150 33 S CA -0.778 57.433 58.200 0.019 0.000 0.850 33 S CB 2.577 65.782 63.200 0.009 0.000 1.118 33 S HN -0.008 nan 8.310 nan 0.000 0.461 34 I N 0.659 121.231 120.570 0.003 0.000 2.610 34 I HA 0.850 5.020 4.170 0.001 0.000 0.289 34 I C -0.466 175.634 176.117 -0.028 0.000 1.163 34 I CA 0.290 61.581 61.300 -0.015 0.000 1.044 34 I CB 1.542 39.525 38.000 -0.029 0.000 1.251 34 I HN 1.306 nan 8.210 nan 0.000 0.424 35 G N 4.613 113.391 108.800 -0.036 0.000 2.733 35 G HA2 0.407 4.367 3.960 0.001 0.000 0.297 35 G HA3 0.407 4.367 3.960 0.001 0.000 0.297 35 G C -1.239 173.636 174.900 -0.042 0.000 1.452 35 G CA -0.587 44.492 45.100 -0.036 0.000 0.940 35 G HN 0.650 nan 8.290 nan 0.000 0.547 36 D N 0.123 120.499 120.400 -0.041 0.000 2.702 36 D HA -0.200 4.440 4.640 0.001 0.000 0.233 36 D C 1.623 177.894 176.300 -0.050 0.000 1.164 36 D CA 2.594 56.570 54.000 -0.040 0.000 0.638 36 D CB -1.061 39.718 40.800 -0.035 0.000 1.041 36 D HN 2.173 nan 8.370 nan 0.000 0.422 37 G N -0.795 107.967 108.800 -0.064 0.000 2.155 37 G HA2 -0.298 3.662 3.960 0.001 0.000 0.257 37 G HA3 -0.298 3.662 3.960 0.001 0.000 0.257 37 G C 0.195 175.042 174.900 -0.088 0.000 0.983 37 G CA 0.308 45.358 45.100 -0.083 0.000 0.676 37 G HN 0.499 nan 8.290 nan 0.000 0.528 38 I N 0.887 121.417 120.570 -0.067 0.000 2.382 38 I HA 0.649 4.820 4.170 0.001 0.000 0.285 38 I C 0.506 176.611 176.117 -0.020 0.000 1.007 38 I CA -1.192 60.080 61.300 -0.047 0.000 1.142 38 I CB 1.021 38.996 38.000 -0.041 0.000 1.289 38 I HN 0.298 nan 8.210 nan 0.000 0.453 39 A N 7.810 130.643 122.820 0.021 0.000 2.260 39 A HA 0.654 4.974 4.320 0.001 0.000 0.308 39 A C 0.077 177.708 177.584 0.079 0.000 1.254 39 A CA -0.692 51.397 52.037 0.087 0.000 0.874 39 A CB 0.583 19.735 19.000 0.253 0.000 1.153 39 A HN 0.545 nan 8.150 nan 0.000 0.527 40 R N 2.072 122.607 120.500 0.058 0.000 2.221 40 R HA 0.426 4.766 4.340 0.001 0.000 0.327 40 R C -1.028 175.312 176.300 0.066 0.000 1.033 40 R CA -0.321 55.808 56.100 0.048 0.000 0.887 40 R CB 1.069 31.388 30.300 0.032 0.000 1.057 40 R HN 0.421 nan 8.270 nan 0.000 0.455 41 V N 3.650 123.597 119.914 0.055 0.000 2.448 41 V HA 0.129 4.249 4.120 0.001 0.000 0.295 41 V C 0.016 176.151 176.094 0.068 0.000 1.025 41 V CA -0.970 61.363 62.300 0.055 0.000 0.859 41 V CB 1.351 33.174 31.823 0.001 0.000 0.988 41 V HN 0.686 nan 8.190 nan 0.000 0.431 42 H N 3.540 122.606 119.070 -0.006 0.000 2.683 42 H HA 0.587 5.143 4.556 0.000 0.000 0.339 42 H C 0.668 175.986 175.328 -0.017 0.000 1.081 42 H CA 1.542 57.584 56.048 -0.009 0.000 1.432 42 H CB 0.869 30.629 29.762 -0.004 0.000 1.462 42 H HN 1.065 nan 8.280 nan 0.000 0.557 43 G N 3.221 111.695 108.800 -0.543 0.000 2.520 43 G HA2 -0.238 3.722 3.960 0.001 0.000 0.248 43 G HA3 -0.238 3.722 3.960 0.001 0.000 0.248 43 G C -0.117 174.669 174.900 -0.190 0.000 1.161 43 G CA -0.386 44.476 45.100 -0.397 0.000 0.946 43 G HN 1.177 nan 8.290 nan 0.000 0.565 44 L N -0.146 120.995 121.223 -0.137 0.000 3.879 44 L HA -0.208 4.132 4.340 0.001 0.000 0.481 44 L C 2.091 178.910 176.870 -0.085 0.000 1.232 44 L CA 0.703 55.484 54.840 -0.097 0.000 0.736 44 L CB -0.635 41.369 42.059 -0.090 0.000 1.511 44 L HN 0.622 nan 8.230 nan 0.000 0.830 45 R N -0.045 120.403 120.500 -0.087 0.000 2.189 45 R HA -0.004 4.337 4.340 0.001 0.000 0.218 45 R C 1.405 177.677 176.300 -0.048 0.000 1.074 45 R CA 0.997 57.055 56.100 -0.070 0.000 0.991 45 R CB -0.245 30.012 30.300 -0.071 0.000 0.883 45 R HN 0.545 nan 8.270 nan 0.000 0.457 46 N N 0.239 118.912 118.700 -0.045 0.000 2.280 46 N HA 0.001 4.741 4.740 0.001 0.000 0.192 46 N C 0.080 175.572 175.510 -0.030 0.000 1.109 46 N CA 0.031 53.061 53.050 -0.033 0.000 0.855 46 N CB 0.376 38.845 38.487 -0.030 0.000 0.974 46 N HN -0.001 nan 8.380 nan 0.000 0.482 47 V N -0.120 119.772 119.914 -0.036 0.000 2.788 47 V HA 0.021 4.142 4.120 0.001 0.000 0.307 47 V C 0.453 176.535 176.094 -0.020 0.000 1.069 47 V CA -0.464 61.817 62.300 -0.031 0.000 1.173 47 V CB 0.193 31.993 31.823 -0.038 0.000 0.925 47 V HN 0.094 nan 8.190 nan 0.000 0.492 48 Q N 2.547 122.340 119.800 -0.012 0.000 2.259 48 Q HA 0.646 4.986 4.340 0.001 0.000 0.246 48 Q C 0.342 176.343 176.000 0.001 0.000 0.920 48 Q CA -0.309 55.492 55.803 -0.004 0.000 0.895 48 Q CB 1.451 30.189 28.738 0.001 0.000 1.220 48 Q HN 1.124 nan 8.270 nan 0.000 0.439 49 A N 2.230 125.053 122.820 0.005 0.000 2.546 49 A HA 0.008 4.329 4.320 0.001 0.000 0.243 49 A C 0.121 177.717 177.584 0.019 0.000 1.063 49 A CA 0.333 52.377 52.037 0.011 0.000 0.757 49 A CB -0.286 18.723 19.000 0.015 0.000 0.991 49 A HN 0.972 nan 8.150 nan 0.000 0.503 50 E N -0.603 119.613 120.200 0.026 0.000 3.413 50 E HA -0.200 4.150 4.350 0.001 0.000 0.300 50 E C 0.097 176.728 176.600 0.050 0.000 0.891 50 E CA 1.172 57.598 56.400 0.044 0.000 1.050 50 E CB -1.428 28.294 29.700 0.038 0.000 1.534 50 E HN 0.939 nan 8.360 nan 0.000 0.436 51 E N 0.868 121.089 120.200 0.035 0.000 2.283 51 E HA 0.310 4.660 4.350 0.001 0.000 0.278 51 E C -0.098 176.534 176.600 0.052 0.000 1.027 51 E CA -0.585 55.835 56.400 0.034 0.000 0.843 51 E CB 0.755 30.461 29.700 0.011 0.000 1.062 51 E HN 0.069 nan 8.360 nan 0.000 0.401 52 M N 5.460 125.104 119.600 0.073 0.000 2.219 52 M HA 0.142 4.623 4.480 0.001 0.000 0.353 52 M C -1.011 175.316 176.300 0.046 0.000 1.304 52 M CA -0.177 55.186 55.300 0.106 0.000 1.115 52 M CB 0.820 33.497 32.600 0.128 0.000 1.664 52 M HN 0.380 nan 8.290 nan 0.000 0.459 53 V N 1.871 121.801 119.914 0.026 0.000 3.103 53 V HA 0.738 4.859 4.120 0.001 0.000 0.318 53 V C -0.785 175.275 176.094 -0.057 0.000 1.114 53 V CA -0.817 61.444 62.300 -0.064 0.000 1.020 53 V CB 2.105 33.827 31.823 -0.168 0.000 1.085 53 V HN 0.820 nan 8.190 nan 0.000 0.446 54 E N 1.047 121.168 120.200 -0.132 0.000 2.210 54 E HA 0.530 4.881 4.350 0.001 0.000 0.266 54 E C -1.758 174.733 176.600 -0.181 0.000 0.883 54 E CA -0.390 55.977 56.400 -0.055 0.000 0.761 54 E CB 2.386 32.086 29.700 0.001 0.000 1.156 54 E HN 0.638 nan 8.360 nan 0.000 0.412 55 F N 0.967 120.930 119.950 0.022 0.000 2.377 55 F HA 0.030 4.557 4.527 0.000 0.000 0.328 55 F C 2.030 177.840 175.800 0.017 0.000 1.094 55 F CA -0.165 57.844 58.000 0.015 0.000 1.093 55 F CB 1.349 40.356 39.000 0.013 0.000 1.214 55 F HN 0.502 nan 8.300 nan 0.000 0.518 56 S N -0.312 115.499 115.700 0.186 0.000 2.407 56 S HA -0.243 4.227 4.470 0.001 0.000 0.235 56 S C 1.712 176.376 174.600 0.107 0.000 1.036 56 S CA 1.607 59.873 58.200 0.110 0.000 1.013 56 S CB -0.983 62.271 63.200 0.089 0.000 0.820 56 S HN 0.659 nan 8.310 nan 0.000 0.476 57 S N 0.537 116.317 115.700 0.134 0.000 2.555 57 S HA 0.415 4.885 4.470 0.001 0.000 0.230 57 S C 1.736 176.389 174.600 0.088 0.000 0.978 57 S CA 0.496 58.750 58.200 0.090 0.000 0.934 57 S CB -0.618 62.618 63.200 0.060 0.000 0.766 57 S HN 1.443 nan 8.310 nan 0.000 0.533 58 G N 0.723 109.594 108.800 0.119 0.000 2.194 58 G HA2 -0.219 3.741 3.960 0.001 0.000 0.236 58 G HA3 -0.219 3.741 3.960 0.001 0.000 0.236 58 G C -0.004 174.976 174.900 0.133 0.000 0.987 58 G CA -0.076 45.087 45.100 0.105 0.000 0.635 58 G HN 0.475 nan 8.290 nan 0.000 0.520 59 L N 1.003 122.323 121.223 0.162 0.000 2.456 59 L HA 0.343 4.683 4.340 0.001 0.000 0.272 59 L C 0.859 177.921 176.870 0.320 0.000 1.189 59 L CA 0.228 55.175 54.840 0.177 0.000 0.846 59 L CB 0.616 42.699 42.059 0.041 0.000 1.111 59 L HN 0.098 nan 8.230 nan 0.000 0.475 60 K N 1.590 122.169 120.400 0.298 0.000 2.123 60 K HA 0.667 4.988 4.320 0.001 0.000 0.259 60 K C -0.071 176.751 176.600 0.370 0.000 0.960 60 K CA -0.524 55.973 56.287 0.350 0.000 0.872 60 K CB 1.957 34.658 32.500 0.336 0.000 1.079 60 K HN 0.736 nan 8.250 nan 0.000 0.440 61 G N 1.009 109.980 108.800 0.285 0.000 2.725 61 G HA2 0.634 4.594 3.960 0.001 0.000 0.288 61 G HA3 0.634 4.594 3.960 0.001 0.000 0.288 61 G C -1.680 173.200 174.900 -0.033 0.000 1.399 61 G CA -0.711 44.409 45.100 0.034 0.000 0.859 61 G HN 0.486 nan 8.290 nan 0.000 0.479 62 M N 1.214 120.697 119.600 -0.196 0.000 2.259 62 M HA 0.418 4.898 4.480 0.001 0.000 0.304 62 M C -0.582 175.691 176.300 -0.044 0.000 1.019 62 M CA -0.582 54.692 55.300 -0.045 0.000 0.922 62 M CB 1.805 34.409 32.600 0.007 0.000 1.600 62 M HN 0.408 nan 8.290 nan 0.000 0.433 63 S N 5.912 121.607 115.700 -0.008 0.000 2.443 63 S HA 0.266 4.736 4.470 0.001 0.000 0.284 63 S C 0.643 175.240 174.600 -0.004 0.000 1.206 63 S CA -0.417 57.774 58.200 -0.014 0.000 1.074 63 S CB 0.347 63.539 63.200 -0.014 0.000 0.963 63 S HN 0.764 nan 8.310 nan 0.000 0.501 64 L N 1.938 123.153 121.223 -0.013 0.000 2.624 64 L HA 0.269 4.609 4.340 0.001 0.000 0.222 64 L C -0.072 176.798 176.870 -0.000 0.000 1.046 64 L CA 0.242 55.079 54.840 -0.005 0.000 0.872 64 L CB 0.109 42.153 42.059 -0.025 0.000 1.190 64 L HN 0.396 nan 8.230 nan 0.000 0.487 65 N N 1.103 119.799 118.700 -0.007 0.000 2.437 65 N HA 0.415 5.156 4.740 0.001 0.000 0.259 65 N C -1.046 174.462 175.510 -0.003 0.000 0.983 65 N CA -0.019 53.029 53.050 -0.003 0.000 0.937 65 N CB 1.332 39.816 38.487 -0.006 0.000 1.122 65 N HN 0.014 nan 8.380 nan 0.000 0.499 66 L N 2.333 123.556 121.223 -0.000 0.000 2.277 66 L HA 0.435 4.775 4.340 0.001 0.000 0.284 66 L C 0.228 177.097 176.870 -0.001 0.000 1.028 66 L CA -0.425 54.412 54.840 -0.004 0.000 0.835 66 L CB 0.702 42.759 42.059 -0.004 0.000 1.215 66 L HN 0.380 nan 8.230 nan 0.000 0.425 67 E N 3.366 123.565 120.200 -0.001 0.000 2.281 67 E HA 0.346 4.696 4.350 0.001 0.000 0.262 67 E C -1.790 174.811 176.600 0.002 0.000 0.933 67 E CA -1.833 54.569 56.400 0.002 0.000 0.809 67 E CB 1.627 31.330 29.700 0.005 0.000 1.242 67 E HN 0.253 nan 8.360 nan 0.000 0.418 68 P HA -0.203 nan 4.420 nan 0.000 0.216 68 P C 0.469 177.776 177.300 0.011 0.000 1.150 68 P CA 1.497 64.600 63.100 0.005 0.000 0.843 68 P CB 0.139 31.843 31.700 0.008 0.000 0.787 69 D N -2.430 117.984 120.400 0.024 0.000 2.469 69 D HA 0.057 4.698 4.640 0.001 0.000 0.213 69 D C 0.114 176.456 176.300 0.069 0.000 1.135 69 D CA -0.176 53.855 54.000 0.052 0.000 0.834 69 D CB -0.685 40.149 40.800 0.056 0.000 1.009 69 D HN 0.355 nan 8.370 nan 0.000 0.507 70 N N -1.456 117.265 118.700 0.036 0.000 2.823 70 N HA 0.406 5.146 4.740 0.001 0.000 0.251 70 N C -1.972 173.543 175.510 0.008 0.000 1.392 70 N CA -0.972 52.098 53.050 0.034 0.000 0.864 70 N CB 1.775 40.288 38.487 0.043 0.000 1.481 70 N HN -0.216 nan 8.380 nan 0.000 0.508 71 V N 0.216 120.132 119.914 0.003 0.000 2.417 71 V HA 0.706 4.826 4.120 0.001 0.000 0.291 71 V C 0.640 176.736 176.094 0.003 0.000 1.024 71 V CA -0.617 61.680 62.300 -0.006 0.000 0.861 71 V CB 1.250 33.058 31.823 -0.024 0.000 0.985 71 V HN 0.880 nan 8.190 nan 0.000 0.436 72 G N 4.189 112.988 108.800 -0.001 0.000 2.444 72 G HA2 0.467 4.428 3.960 0.001 0.000 0.303 72 G HA3 0.467 4.428 3.960 0.001 0.000 0.303 72 G C -0.496 174.399 174.900 -0.009 0.000 1.032 72 G CA -0.106 44.992 45.100 -0.003 0.000 1.137 72 G HN 0.514 nan 8.290 nan 0.000 0.430 73 V N 3.244 123.165 119.914 0.012 0.000 2.472 73 V HA 0.331 4.451 4.120 0.001 0.000 0.290 73 V C 0.116 176.202 176.094 -0.014 0.000 1.037 73 V CA -0.765 61.545 62.300 0.017 0.000 0.908 73 V CB 1.803 33.681 31.823 0.091 0.000 0.985 73 V HN 0.396 nan 8.190 nan 0.000 0.454 74 V N 5.675 125.525 119.914 -0.106 0.000 2.398 74 V HA 0.382 4.503 4.120 0.001 0.000 0.286 74 V C -0.170 175.716 176.094 -0.347 0.000 1.026 74 V CA -0.353 61.827 62.300 -0.202 0.000 0.868 74 V CB 2.117 33.804 31.823 -0.227 0.000 0.982 74 V HN 0.657 nan 8.190 nan 0.000 0.443 75 V N 6.863 126.620 119.914 -0.262 0.000 2.406 75 V HA 0.311 4.431 4.120 0.001 0.000 0.272 75 V C 0.184 176.153 176.094 -0.208 0.000 1.043 75 V CA -0.175 61.979 62.300 -0.243 0.000 0.915 75 V CB 0.978 32.659 31.823 -0.236 0.000 0.988 75 V HN 0.763 nan 8.190 nan 0.000 0.466 76 F N 4.448 124.435 119.950 0.062 0.000 2.705 76 F HA 0.551 5.078 4.527 0.001 0.000 0.355 76 F C 1.232 177.053 175.800 0.036 0.000 1.172 76 F CA 0.364 58.402 58.000 0.064 0.000 1.332 76 F CB 0.119 39.170 39.000 0.085 0.000 1.621 76 F HN 0.753 nan 8.300 nan 0.000 0.605 77 G N 0.073 108.953 108.800 0.133 0.000 2.333 77 G HA2 -0.040 3.920 3.960 0.001 0.000 0.288 77 G HA3 -0.040 3.920 3.960 0.001 0.000 0.288 77 G C -1.749 173.154 174.900 0.005 0.000 1.286 77 G CA -1.162 43.982 45.100 0.073 0.000 0.865 77 G HN 0.033 nan 8.290 nan 0.000 0.506 78 N N 1.042 119.738 118.700 -0.007 0.000 2.468 78 N HA 0.169 4.909 4.740 0.001 0.000 0.265 78 N C 0.806 176.269 175.510 -0.079 0.000 1.199 78 N CA 0.400 53.432 53.050 -0.030 0.000 0.928 78 N CB 1.322 39.799 38.487 -0.016 0.000 1.059 78 N HN 0.565 nan 8.380 nan 0.000 0.467 79 D N 2.840 123.184 120.400 -0.093 0.000 2.340 79 D HA -0.104 4.536 4.640 0.001 0.000 0.220 79 D C 1.196 177.429 176.300 -0.113 0.000 1.039 79 D CA 0.410 54.323 54.000 -0.145 0.000 0.866 79 D CB -0.168 40.546 40.800 -0.144 0.000 0.913 79 D HN 0.759 nan 8.370 nan 0.000 0.523 80 K N 0.567 120.923 120.400 -0.073 0.000 2.281 80 K HA -0.116 4.205 4.320 0.001 0.000 0.203 80 K C 1.695 178.264 176.600 -0.052 0.000 1.046 80 K CA 0.882 57.139 56.287 -0.051 0.000 0.938 80 K CB -0.339 32.142 32.500 -0.032 0.000 0.737 80 K HN 0.192 nan 8.250 nan 0.000 0.458 81 L N 0.975 122.157 121.223 -0.068 0.000 2.270 81 L HA 0.177 4.517 4.340 0.001 0.000 0.210 81 L C 0.929 177.762 176.870 -0.061 0.000 1.104 81 L CA 0.048 54.856 54.840 -0.054 0.000 0.804 81 L CB 0.027 42.057 42.059 -0.048 0.000 0.937 81 L HN 0.122 nan 8.230 nan 0.000 0.450 82 I N 0.494 120.993 120.570 -0.118 0.000 2.441 82 I HA 0.075 4.245 4.170 0.001 0.000 0.287 82 I C 0.162 176.255 176.117 -0.041 0.000 1.049 82 I CA 0.282 61.517 61.300 -0.108 0.000 1.381 82 I CB 0.506 38.334 38.000 -0.286 0.000 1.409 82 I HN 0.021 nan 8.210 nan 0.000 0.523 83 K N 4.904 125.309 120.400 0.009 0.000 2.350 83 K HA 0.345 4.665 4.320 0.001 0.000 0.241 83 K C -0.478 176.144 176.600 0.036 0.000 0.994 83 K CA -0.981 55.315 56.287 0.015 0.000 0.839 83 K CB 1.936 34.445 32.500 0.015 0.000 1.244 83 K HN 0.530 nan 8.250 nan 0.000 0.443 84 E N 0.079 120.295 120.200 0.026 0.000 2.502 84 E HA -0.062 4.288 4.350 0.001 0.000 0.261 84 E C 0.558 177.179 176.600 0.036 0.000 0.974 84 E CA 1.389 57.807 56.400 0.030 0.000 0.936 84 E CB 0.192 29.901 29.700 0.015 0.000 0.926 84 E HN 0.787 nan 8.360 nan 0.000 0.459 85 G N 3.961 112.787 108.800 0.044 0.000 2.217 85 G HA2 -0.257 3.704 3.960 0.001 0.000 0.246 85 G HA3 -0.257 3.704 3.960 0.001 0.000 0.246 85 G C -0.013 174.921 174.900 0.056 0.000 0.990 85 G CA 0.188 45.313 45.100 0.042 0.000 0.627 85 G HN 0.668 nan 8.290 nan 0.000 0.522 86 D N 0.364 120.810 120.400 0.077 0.000 2.478 86 D HA 0.315 4.955 4.640 0.001 0.000 0.234 86 D C 0.980 177.330 176.300 0.084 0.000 1.154 86 D CA 0.341 54.401 54.000 0.100 0.000 0.874 86 D CB 0.480 41.380 40.800 0.166 0.000 1.198 86 D HN 0.370 nan 8.370 nan 0.000 0.455 87 I N 2.040 122.646 120.570 0.059 0.000 2.371 87 I HA 0.111 4.281 4.170 0.001 0.000 0.290 87 I C -0.316 175.772 176.117 -0.049 0.000 1.028 87 I CA -0.494 60.812 61.300 0.010 0.000 1.345 87 I CB 1.001 39.006 38.000 0.008 0.000 1.407 87 I HN -0.036 nan 8.210 nan 0.000 0.501 88 V N 7.124 126.961 119.914 -0.128 0.000 2.459 88 V HA 0.413 4.533 4.120 0.001 0.000 0.295 88 V C -0.130 175.848 176.094 -0.194 0.000 1.029 88 V CA -0.890 61.233 62.300 -0.295 0.000 0.874 88 V CB 1.515 33.079 31.823 -0.432 0.000 0.985 88 V HN 0.609 nan 8.190 nan 0.000 0.438 89 K N 3.773 124.062 120.400 -0.186 0.000 2.270 89 K HA 0.595 4.916 4.320 0.001 0.000 0.255 89 K C -0.367 176.169 176.600 -0.107 0.000 0.936 89 K CA -0.876 55.344 56.287 -0.111 0.000 0.809 89 K CB 2.384 34.844 32.500 -0.068 0.000 1.131 89 K HN 0.552 nan 8.250 nan 0.000 0.427 90 R N 0.536 120.990 120.500 -0.077 0.000 2.679 90 R HA 0.008 4.349 4.340 0.001 0.000 0.268 90 R C 0.691 176.971 176.300 -0.035 0.000 1.044 90 R CA 0.296 56.362 56.100 -0.055 0.000 1.105 90 R CB 0.396 30.670 30.300 -0.043 0.000 0.989 90 R HN 0.624 nan 8.270 nan 0.000 0.447 91 T N 0.326 114.868 114.554 -0.020 0.000 3.015 91 T HA 0.112 4.463 4.350 0.001 0.000 0.250 91 T C 1.203 175.901 174.700 -0.003 0.000 1.057 91 T CA 0.721 62.819 62.100 -0.004 0.000 1.066 91 T CB 0.312 69.189 68.868 0.013 0.000 0.959 91 T HN 0.936 nan 8.240 nan 0.000 0.488 92 G N 1.461 110.257 108.800 -0.006 0.000 2.184 92 G HA2 -0.103 3.857 3.960 0.001 0.000 0.264 92 G HA3 -0.103 3.857 3.960 0.001 0.000 0.264 92 G C 0.152 175.053 174.900 0.002 0.000 0.975 92 G CA 0.109 45.206 45.100 -0.005 0.000 0.642 92 G HN 0.927 nan 8.290 nan 0.000 0.536 93 A N 0.635 123.459 122.820 0.008 0.000 2.330 93 A HA 0.753 5.073 4.320 0.001 0.000 0.313 93 A C 0.306 177.904 177.584 0.022 0.000 1.124 93 A CA -0.736 51.308 52.037 0.013 0.000 0.774 93 A CB 1.010 20.017 19.000 0.012 0.000 1.198 93 A HN 0.538 nan 8.150 nan 0.000 0.465 94 I N 2.367 122.949 120.570 0.019 0.000 2.752 94 I HA 0.011 4.181 4.170 0.001 0.000 0.287 94 I C 0.715 176.850 176.117 0.031 0.000 1.188 94 I CA 0.148 61.464 61.300 0.026 0.000 1.427 94 I CB 0.518 38.528 38.000 0.015 0.000 1.365 94 I HN 0.370 nan 8.210 nan 0.000 0.585 95 V N 6.212 126.156 119.914 0.050 0.000 2.557 95 V HA -0.029 4.091 4.120 0.001 0.000 0.301 95 V C 0.241 176.342 176.094 0.011 0.000 1.026 95 V CA 0.179 62.511 62.300 0.053 0.000 1.137 95 V CB 0.001 31.884 31.823 0.100 0.000 0.917 95 V HN 0.934 nan 8.190 nan 0.000 0.484 96 D N 3.767 124.166 120.400 -0.002 0.000 2.592 96 D HA 0.722 5.363 4.640 0.001 0.000 0.263 96 D C -0.659 175.621 176.300 -0.034 0.000 1.132 96 D CA -0.654 53.336 54.000 -0.017 0.000 0.996 96 D CB 2.142 42.934 40.800 -0.012 0.000 1.442 96 D HN 0.480 nan 8.370 nan 0.000 0.486 97 V N -4.698 115.193 119.914 -0.038 0.000 3.078 97 V HA 0.747 4.867 4.120 0.001 0.000 0.311 97 V C -2.790 173.270 176.094 -0.057 0.000 1.138 97 V CA -2.269 60.002 62.300 -0.048 0.000 1.007 97 V CB 1.726 33.522 31.823 -0.046 0.000 1.045 97 V HN 0.612 nan 8.190 nan 0.000 0.432 98 P HA 0.329 nan 4.420 nan 0.000 0.269 98 P C -0.764 176.461 177.300 -0.124 0.000 1.209 98 P CA 0.147 63.195 63.100 -0.088 0.000 0.776 98 P CB 1.530 33.185 31.700 -0.074 0.000 0.876 99 V N 1.094 120.889 119.914 -0.199 0.000 3.114 99 V HA 0.840 4.960 4.120 0.001 0.000 0.308 99 V C 0.301 176.054 176.094 -0.568 0.000 1.168 99 V CA 0.380 62.483 62.300 -0.328 0.000 1.015 99 V CB 1.981 33.635 31.823 -0.282 0.000 1.050 99 V HN 1.095 nan 8.190 nan 0.000 0.433 100 G N 2.346 110.593 108.800 -0.921 0.000 2.371 100 G HA2 -0.033 3.927 3.960 0.001 0.000 0.663 100 G HA3 -0.033 3.927 3.960 0.001 0.000 0.663 100 G C -0.084 174.510 174.900 -0.510 0.000 1.311 100 G CA 0.051 44.429 45.100 -1.202 0.000 0.985 100 G HN 0.670 nan 8.290 nan 0.000 0.566 101 E N -0.143 119.907 120.200 -0.251 0.000 2.418 101 E HA 0.035 4.385 4.350 0.001 0.000 0.197 101 E C 1.931 178.560 176.600 0.048 0.000 1.026 101 E CA 1.193 57.629 56.400 0.060 0.000 0.862 101 E CB 0.078 29.873 29.700 0.159 0.000 0.799 101 E HN 0.563 nan 8.360 nan 0.000 0.518 102 E N 0.224 120.404 120.200 -0.034 0.000 2.338 102 E HA -0.112 4.238 4.350 0.001 0.000 0.197 102 E C 1.462 178.063 176.600 0.001 0.000 1.007 102 E CA 0.505 56.897 56.400 -0.013 0.000 0.849 102 E CB 0.042 29.717 29.700 -0.041 0.000 0.774 102 E HN 0.251 nan 8.360 nan 0.000 0.506 103 L N 0.261 121.482 121.223 -0.004 0.000 2.395 103 L HA 0.030 4.371 4.340 0.001 0.000 0.218 103 L C 0.433 177.348 176.870 0.076 0.000 1.130 103 L CA -0.012 54.843 54.840 0.025 0.000 0.826 103 L CB -0.120 41.945 42.059 0.011 0.000 0.941 103 L HN 0.106 nan 8.230 nan 0.000 0.451 104 L N 0.359 121.654 121.223 0.120 0.000 2.462 104 L HA 0.164 4.504 4.340 0.001 0.000 0.272 104 L C 1.323 178.244 176.870 0.084 0.000 1.166 104 L CA 0.620 55.547 54.840 0.144 0.000 0.880 104 L CB 0.288 42.479 42.059 0.219 0.000 1.142 104 L HN 0.318 nan 8.230 nan 0.000 0.473 105 G N 1.943 110.774 108.800 0.052 0.000 2.175 105 G HA2 -0.192 3.769 3.960 0.001 0.000 0.244 105 G HA3 -0.192 3.769 3.960 0.001 0.000 0.244 105 G C 0.217 175.122 174.900 0.008 0.000 0.982 105 G CA -0.513 44.594 45.100 0.013 0.000 0.641 105 G HN 0.459 nan 8.290 nan 0.000 0.527 106 R N -0.168 120.345 120.500 0.022 0.000 2.668 106 R HA 0.699 5.039 4.340 0.001 0.000 0.279 106 R C -0.274 176.038 176.300 0.021 0.000 0.976 106 R CA -0.767 55.344 56.100 0.017 0.000 0.978 106 R CB 1.768 32.079 30.300 0.018 0.000 1.133 106 R HN 0.233 nan 8.270 nan 0.000 0.484 107 V N 2.802 122.725 119.914 0.016 0.000 2.347 107 V HA 0.391 4.511 4.120 0.001 0.000 0.280 107 V C 0.370 176.477 176.094 0.023 0.000 1.021 107 V CA -0.769 61.545 62.300 0.024 0.000 0.847 107 V CB 1.298 33.131 31.823 0.017 0.000 0.990 107 V HN 0.597 nan 8.190 nan 0.000 0.444 108 V N 1.333 121.263 119.914 0.028 0.000 3.113 108 V HA 0.827 4.948 4.120 0.001 0.000 0.316 108 V C -0.357 175.750 176.094 0.022 0.000 1.125 108 V CA -0.837 61.474 62.300 0.019 0.000 1.026 108 V CB 2.138 33.968 31.823 0.011 0.000 1.080 108 V HN 0.781 nan 8.190 nan 0.000 0.444 109 D N 1.435 121.843 120.400 0.013 0.000 2.478 109 D HA 0.491 5.131 4.640 0.001 0.000 0.269 109 D C 1.138 177.435 176.300 -0.004 0.000 1.232 109 D CA -0.051 53.956 54.000 0.012 0.000 1.059 109 D CB 1.215 42.023 40.800 0.014 0.000 1.104 109 D HN 0.834 nan 8.370 nan 0.000 0.566 110 A N -0.648 122.164 122.820 -0.013 0.000 2.125 110 A HA -0.035 4.285 4.320 0.001 0.000 0.219 110 A C 2.144 179.672 177.584 -0.092 0.000 1.156 110 A CA 0.860 52.873 52.037 -0.041 0.000 0.671 110 A CB -0.767 18.210 19.000 -0.038 0.000 0.794 110 A HN 0.533 nan 8.150 nan 0.000 0.459 111 L N -2.026 119.139 121.223 -0.097 0.000 2.607 111 L HA 0.257 4.598 4.340 0.001 0.000 0.228 111 L C 1.660 178.491 176.870 -0.065 0.000 1.123 111 L CA 0.559 55.328 54.840 -0.118 0.000 0.890 111 L CB 0.164 42.150 42.059 -0.122 0.000 1.103 111 L HN 0.539 nan 8.230 nan 0.000 0.468 112 G N -0.270 108.505 108.800 -0.042 0.000 2.176 112 G HA2 -0.240 3.721 3.960 0.001 0.000 0.232 112 G HA3 -0.240 3.721 3.960 0.001 0.000 0.232 112 G C 0.078 174.966 174.900 -0.020 0.000 0.986 112 G CA -0.378 44.705 45.100 -0.029 0.000 0.643 112 G HN 0.351 nan 8.290 nan 0.000 0.522 113 N N 1.360 120.051 118.700 -0.015 0.000 2.483 113 N HA 0.466 5.207 4.740 0.001 0.000 0.264 113 N C 0.661 176.172 175.510 0.001 0.000 1.197 113 N CA 0.707 53.755 53.050 -0.005 0.000 0.927 113 N CB 1.218 39.707 38.487 0.002 0.000 1.065 113 N HN 0.750 nan 8.380 nan 0.000 0.461 114 A N 2.181 125.002 122.820 0.002 0.000 2.520 114 A HA 0.191 4.511 4.320 0.001 0.000 0.245 114 A C 1.295 178.884 177.584 0.009 0.000 1.072 114 A CA -0.210 51.831 52.037 0.005 0.000 0.761 114 A CB -0.430 18.572 19.000 0.003 0.000 1.004 114 A HN 0.831 nan 8.150 nan 0.000 0.499 115 I N -0.820 119.757 120.570 0.012 0.000 4.050 115 I HA 0.264 4.434 4.170 0.001 0.000 0.327 115 I C 0.145 176.269 176.117 0.011 0.000 1.473 115 I CA -0.063 61.245 61.300 0.013 0.000 1.124 115 I CB 0.430 38.441 38.000 0.019 0.000 1.129 115 I HN 0.458 nan 8.210 nan 0.000 0.428 116 D N 0.959 121.363 120.400 0.008 0.000 2.349 116 D HA 0.161 4.801 4.640 0.001 0.000 0.214 116 D C 1.595 177.896 176.300 0.002 0.000 1.063 116 D CA 0.464 54.466 54.000 0.004 0.000 0.847 116 D CB 0.136 40.937 40.800 0.001 0.000 0.933 116 D HN 0.406 nan 8.370 nan 0.000 0.513 117 G N 0.958 109.760 108.800 0.004 0.000 2.176 117 G HA2 -0.346 3.614 3.960 0.001 0.000 0.252 117 G HA3 -0.346 3.614 3.960 0.001 0.000 0.252 117 G C 0.559 175.460 174.900 0.002 0.000 1.024 117 G CA 0.360 45.462 45.100 0.003 0.000 0.755 117 G HN 0.455 nan 8.290 nan 0.000 0.507 118 K N 0.064 120.465 120.400 0.002 0.000 2.514 118 K HA 0.480 4.800 4.320 0.001 0.000 0.207 118 K C 1.297 177.899 176.600 0.002 0.000 1.035 118 K CA 0.181 56.469 56.287 0.001 0.000 1.113 118 K CB 0.677 33.178 32.500 0.001 0.000 0.846 118 K HN 1.451 nan 8.250 nan 0.000 0.491 119 G N 2.505 111.306 108.800 0.002 0.000 2.796 119 G HA2 -0.198 3.762 3.960 0.001 0.000 0.571 119 G HA3 -0.198 3.762 3.960 0.001 0.000 0.571 119 G C -2.758 172.142 174.900 0.001 0.000 1.370 119 G CA -1.280 43.821 45.100 0.002 0.000 0.856 119 G HN 0.017 nan 8.290 nan 0.000 0.538 120 P HA 0.364 nan 4.420 nan 0.000 0.268 120 P C 0.612 177.908 177.300 -0.006 0.000 1.205 120 P CA -0.431 62.667 63.100 -0.003 0.000 0.771 120 P CB 0.352 32.049 31.700 -0.004 0.000 0.858 121 I N 1.568 122.131 120.570 -0.011 0.000 2.588 121 I HA 0.098 4.268 4.170 0.001 0.000 0.283 121 I C 1.551 177.655 176.117 -0.022 0.000 1.119 121 I CA 0.285 61.575 61.300 -0.017 0.000 1.419 121 I CB 0.025 38.011 38.000 -0.025 0.000 1.394 121 I HN 0.494 nan 8.210 nan 0.000 0.562 122 G N 4.316 113.102 108.800 -0.023 0.000 3.639 122 G HA2 0.130 4.090 3.960 0.001 0.000 0.279 122 G HA3 0.130 4.090 3.960 0.001 0.000 0.279 122 G C 0.606 175.480 174.900 -0.043 0.000 1.312 122 G CA -0.257 44.828 45.100 -0.026 0.000 1.355 122 G HN 0.724 nan 8.290 nan 0.000 0.595 123 S N -0.384 115.281 115.700 -0.058 0.000 2.549 123 S HA 0.245 4.715 4.470 0.001 0.000 0.283 123 S C 0.823 175.374 174.600 -0.081 0.000 1.320 123 S CA -0.288 57.857 58.200 -0.092 0.000 1.058 123 S CB 1.508 64.641 63.200 -0.111 0.000 0.882 123 S HN 0.356 nan 8.310 nan 0.000 0.498 124 K N 1.795 122.136 120.400 -0.097 0.000 2.358 124 K HA 0.403 4.724 4.320 0.001 0.000 0.200 124 K C 0.173 176.725 176.600 -0.080 0.000 1.030 124 K CA 0.080 56.324 56.287 -0.071 0.000 1.097 124 K CB 0.794 33.262 32.500 -0.053 0.000 0.862 124 K HN 0.723 nan 8.250 nan 0.000 0.534 125 A N 1.331 124.079 122.820 -0.120 0.000 2.498 125 A HA 0.702 5.022 4.320 0.001 0.000 0.298 125 A C -1.043 176.470 177.584 -0.118 0.000 1.075 125 A CA -0.820 51.146 52.037 -0.118 0.000 0.714 125 A CB 1.441 20.345 19.000 -0.160 0.000 1.299 125 A HN 0.094 nan 8.150 nan 0.000 0.407 126 R N 0.025 120.479 120.500 -0.078 0.000 2.867 126 R HA 0.793 5.134 4.340 0.001 0.000 0.268 126 R C -0.882 175.392 176.300 -0.043 0.000 1.014 126 R CA -0.872 55.189 56.100 -0.064 0.000 0.946 126 R CB 2.676 32.950 30.300 -0.043 0.000 1.208 126 R HN 0.759 nan 8.270 nan 0.000 0.477 127 R N 0.945 121.424 120.500 -0.035 0.000 2.566 127 R HA 0.269 4.609 4.340 0.001 0.000 0.271 127 R C -1.058 175.236 176.300 -0.011 0.000 1.071 127 R CA -0.779 55.312 56.100 -0.016 0.000 0.915 127 R CB 1.888 32.182 30.300 -0.010 0.000 1.228 127 R HN 0.542 nan 8.270 nan 0.000 0.449 128 R N 1.773 122.271 120.500 -0.005 0.000 2.522 128 R HA 0.000 4.341 4.340 0.001 0.000 0.284 128 R C 1.522 177.817 176.300 -0.008 0.000 1.032 128 R CA 0.173 56.269 56.100 -0.007 0.000 1.049 128 R CB 0.795 31.092 30.300 -0.005 0.000 0.956 128 R HN 0.524 nan 8.270 nan 0.000 0.422 129 V N 1.073 120.977 119.914 -0.016 0.000 3.141 129 V HA 0.031 4.152 4.120 0.001 0.000 0.265 129 V C 1.184 177.242 176.094 -0.061 0.000 1.126 129 V CA 1.831 64.123 62.300 -0.013 0.000 1.141 129 V CB -0.023 31.790 31.823 -0.017 0.000 0.743 129 V HN 0.860 nan 8.190 nan 0.000 0.492 130 G N 0.074 108.827 108.800 -0.078 0.000 3.393 130 G HA2 0.371 4.331 3.960 0.001 0.000 0.255 130 G HA3 0.371 4.331 3.960 0.001 0.000 0.255 130 G C 0.326 175.187 174.900 -0.065 0.000 1.097 130 G CA -0.495 44.532 45.100 -0.121 0.000 0.780 130 G HN 0.486 nan 8.290 nan 0.000 0.540 131 L N 0.980 122.187 121.223 -0.027 0.000 2.490 131 L HA 0.168 4.509 4.340 0.001 0.000 0.274 131 L C 0.882 177.751 176.870 -0.003 0.000 1.201 131 L CA -0.234 54.602 54.840 -0.006 0.000 0.869 131 L CB 0.727 42.792 42.059 0.009 0.000 1.123 131 L HN 0.032 nan 8.230 nan 0.000 0.484 132 K N 2.701 123.105 120.400 0.006 0.000 2.382 132 K HA 0.329 4.649 4.320 0.001 0.000 0.275 132 K C -0.012 176.593 176.600 0.009 0.000 1.009 132 K CA -0.361 55.935 56.287 0.014 0.000 0.970 132 K CB 0.827 33.342 32.500 0.024 0.000 0.934 132 K HN 0.659 nan 8.250 nan 0.000 0.479 133 A N 5.630 128.455 122.820 0.010 0.000 2.498 133 A HA 0.198 4.518 4.320 0.001 0.000 0.239 133 A C -2.076 175.497 177.584 -0.018 0.000 1.068 133 A CA -1.089 50.948 52.037 -0.000 0.000 0.766 133 A CB -0.543 18.459 19.000 0.003 0.000 1.003 133 A HN 0.630 nan 8.150 nan 0.000 0.497 134 P HA 0.114 nan 4.420 nan 0.000 0.263 134 P C 0.770 178.019 177.300 -0.084 0.000 1.175 134 P CA 0.836 63.879 63.100 -0.095 0.000 0.761 134 P CB 0.357 31.970 31.700 -0.144 0.000 0.794 135 G N 1.857 110.602 108.800 -0.091 0.000 2.504 135 G HA2 0.160 4.120 3.960 0.001 0.000 0.257 135 G HA3 0.160 4.120 3.960 0.001 0.000 0.257 135 G C 1.165 176.015 174.900 -0.082 0.000 1.451 135 G CA -0.654 44.408 45.100 -0.064 0.000 1.059 135 G HN 0.406 nan 8.290 nan 0.000 0.550 136 I N -0.025 120.512 120.570 -0.054 0.000 2.142 136 I HA -0.151 4.019 4.170 0.001 0.000 0.240 136 I C 2.650 178.728 176.117 -0.064 0.000 1.078 136 I CA 0.784 62.056 61.300 -0.046 0.000 1.343 136 I CB -0.227 37.761 38.000 -0.021 0.000 1.046 136 I HN 0.245 nan 8.210 nan 0.000 0.405 137 I N 1.099 121.631 120.570 -0.063 0.000 2.127 137 I HA -0.176 3.994 4.170 0.001 0.000 0.241 137 I C -0.265 175.773 176.117 -0.131 0.000 1.075 137 I CA 1.849 63.121 61.300 -0.047 0.000 1.334 137 I CB -2.859 35.150 38.000 0.015 0.000 1.040 137 I HN 0.146 nan 8.210 nan 0.000 0.405 138 P HA -0.084 nan 4.420 nan 0.000 0.234 138 P C 0.208 177.265 177.300 -0.404 0.000 1.162 138 P CA 1.098 63.665 63.100 -0.887 0.000 0.759 138 P CB 0.025 31.005 31.700 -1.200 0.000 0.813 139 R N -0.762 119.627 120.500 -0.185 0.000 2.828 139 R HA 0.748 5.089 4.340 0.001 0.000 0.264 139 R C -0.397 175.887 176.300 -0.027 0.000 1.022 139 R CA -1.001 55.045 56.100 -0.090 0.000 1.021 139 R CB 1.858 32.113 30.300 -0.075 0.000 1.163 139 R HN -0.037 nan 8.270 nan 0.000 0.494 140 I N -0.295 120.272 120.570 -0.006 0.000 2.894 140 I HA 0.223 4.394 4.170 0.001 0.000 0.302 140 I C -0.588 175.533 176.117 0.005 0.000 1.188 140 I CA -0.655 60.649 61.300 0.008 0.000 1.014 140 I CB 2.644 40.659 38.000 0.024 0.000 1.242 140 I HN 0.620 nan 8.210 nan 0.000 0.430 141 S N 3.332 119.035 115.700 0.004 0.000 2.558 141 S HA 0.076 4.546 4.470 0.001 0.000 0.291 141 S C -0.231 174.369 174.600 0.000 0.000 1.306 141 S CA -0.600 57.601 58.200 0.001 0.000 1.056 141 S CB 0.414 63.614 63.200 0.001 0.000 0.836 141 S HN 0.349 nan 8.310 nan 0.000 0.504 142 V N 4.475 124.387 119.914 -0.002 0.000 2.493 142 V HA 0.040 4.160 4.120 0.001 0.000 0.292 142 V C 1.143 177.227 176.094 -0.016 0.000 1.016 142 V CA 0.760 63.055 62.300 -0.009 0.000 1.097 142 V CB -0.065 31.753 31.823 -0.009 0.000 0.947 142 V HN 0.861 nan 8.190 nan 0.000 0.479 143 R N 1.901 122.385 120.500 -0.026 0.000 2.573 143 R HA 0.234 4.574 4.340 0.001 0.000 0.224 143 R C 0.048 176.315 176.300 -0.055 0.000 0.904 143 R CA -0.216 55.865 56.100 -0.032 0.000 0.995 143 R CB 0.714 31.000 30.300 -0.023 0.000 1.430 143 R HN 0.696 nan 8.270 nan 0.000 0.631 144 E N 2.304 122.456 120.200 -0.081 0.000 2.197 144 E HA 0.254 4.604 4.350 0.001 0.000 0.281 144 E C -2.592 173.926 176.600 -0.136 0.000 0.995 144 E CA -2.385 53.939 56.400 -0.127 0.000 0.808 144 E CB 1.267 30.849 29.700 -0.197 0.000 1.093 144 E HN -0.147 nan 8.360 nan 0.000 0.394 145 P HA -0.026 nan 4.420 nan 0.000 0.268 145 P C -0.710 176.487 177.300 -0.171 0.000 1.204 145 P CA 0.062 63.087 63.100 -0.126 0.000 0.768 145 P CB 0.430 32.063 31.700 -0.112 0.000 0.842 146 M N 3.859 123.388 119.600 -0.119 0.000 2.055 146 M HA 0.156 4.636 4.480 0.001 0.000 0.346 146 M C -0.727 175.541 176.300 -0.053 0.000 1.074 146 M CA -0.423 54.811 55.300 -0.109 0.000 1.009 146 M CB 0.368 32.925 32.600 -0.072 0.000 1.423 146 M HN 0.308 nan 8.290 nan 0.000 0.410 147 Q N 2.632 122.410 119.800 -0.037 0.000 2.294 147 Q HA 0.231 4.571 4.340 0.001 0.000 0.257 147 Q C 1.212 177.261 176.000 0.081 0.000 0.955 147 Q CA 0.065 55.895 55.803 0.045 0.000 0.936 147 Q CB 1.074 29.890 28.738 0.130 0.000 1.188 147 Q HN 0.773 nan 8.270 nan 0.000 0.420 148 T N -1.515 113.071 114.554 0.053 0.000 2.978 148 T HA 0.110 4.460 4.350 0.001 0.000 0.262 148 T C 1.241 175.970 174.700 0.049 0.000 1.063 148 T CA 0.684 62.813 62.100 0.049 0.000 1.140 148 T CB 0.092 68.978 68.868 0.030 0.000 0.886 148 T HN 0.826 nan 8.240 nan 0.000 0.470 149 G N 1.424 110.253 108.800 0.047 0.000 2.176 149 G HA2 -0.188 3.772 3.960 0.001 0.000 0.253 149 G HA3 -0.188 3.772 3.960 0.001 0.000 0.253 149 G C -0.007 174.903 174.900 0.016 0.000 0.979 149 G CA 0.063 45.182 45.100 0.032 0.000 0.641 149 G HN 0.664 nan 8.290 nan 0.000 0.530 150 I N 0.913 121.492 120.570 0.015 0.000 2.312 150 I HA 0.278 4.448 4.170 0.001 0.000 0.290 150 I C 1.566 177.689 176.117 0.010 0.000 1.008 150 I CA -0.804 60.499 61.300 0.005 0.000 1.226 150 I CB 1.343 39.343 38.000 0.000 0.000 1.371 150 I HN -0.015 nan 8.210 nan 0.000 0.468 151 K N 4.308 124.714 120.400 0.010 0.000 2.034 151 K HA -0.249 4.071 4.320 0.001 0.000 0.214 151 K C 2.087 178.694 176.600 0.012 0.000 1.051 151 K CA 1.991 58.287 56.287 0.015 0.000 0.931 151 K CB -0.207 32.303 32.500 0.016 0.000 0.715 151 K HN 0.804 nan 8.250 nan 0.000 0.446 152 A N 0.893 123.718 122.820 0.007 0.000 1.933 152 A HA -0.128 4.192 4.320 0.001 0.000 0.218 152 A C 2.404 179.996 177.584 0.013 0.000 1.175 152 A CA 1.560 53.602 52.037 0.009 0.000 0.628 152 A CB -0.596 18.407 19.000 0.005 0.000 0.814 152 A HN 0.097 nan 8.150 nan 0.000 0.444 153 V N 0.324 120.246 119.914 0.013 0.000 2.283 153 V HA -0.182 3.938 4.120 0.001 0.000 0.243 153 V C 2.094 178.196 176.094 0.015 0.000 1.039 153 V CA 2.191 64.501 62.300 0.016 0.000 1.016 153 V CB -0.781 31.051 31.823 0.015 0.000 0.650 153 V HN 0.457 nan 8.190 nan 0.000 0.449 154 D N 0.236 120.645 120.400 0.015 0.000 2.218 154 D HA -0.104 4.537 4.640 0.001 0.000 0.204 154 D C 2.355 178.663 176.300 0.013 0.000 0.976 154 D CA 1.661 55.670 54.000 0.015 0.000 0.853 154 D CB -0.036 40.777 40.800 0.021 0.000 0.939 154 D HN 0.610 nan 8.370 nan 0.000 0.481 155 S N -1.076 114.633 115.700 0.014 0.000 2.468 155 S HA 0.108 4.579 4.470 0.001 0.000 0.226 155 S C 1.942 176.549 174.600 0.011 0.000 1.051 155 S CA -0.037 58.171 58.200 0.013 0.000 0.943 155 S CB -0.090 63.118 63.200 0.014 0.000 0.810 155 S HN 0.155 nan 8.310 nan 0.000 0.509 156 L N 1.397 122.628 121.223 0.013 0.000 2.286 156 L HA 0.317 4.657 4.340 0.001 0.000 0.203 156 L C 0.586 177.466 176.870 0.017 0.000 1.068 156 L CA 0.406 55.255 54.840 0.015 0.000 0.811 156 L CB 0.338 42.409 42.059 0.019 0.000 0.989 156 L HN 0.351 nan 8.230 nan 0.000 0.467 157 V N -2.196 117.729 119.914 0.018 0.000 2.592 157 V HA 0.376 4.496 4.120 0.001 0.000 0.278 157 V C -2.566 173.536 176.094 0.013 0.000 1.087 157 V CA -1.831 60.480 62.300 0.019 0.000 1.282 157 V CB -0.334 31.506 31.823 0.027 0.000 1.543 157 V HN -0.037 nan 8.190 nan 0.000 0.606 158 P HA 0.330 nan 4.420 nan 0.000 0.268 158 P C -0.350 176.950 177.300 -0.001 0.000 1.205 158 P CA 0.322 63.424 63.100 0.003 0.000 0.771 158 P CB 1.563 33.262 31.700 -0.001 0.000 0.858 159 I N 1.560 122.127 120.570 -0.006 0.000 2.404 159 I HA 0.497 4.667 4.170 0.001 0.000 0.293 159 I C 1.063 177.164 176.117 -0.027 0.000 0.992 159 I CA -0.498 60.796 61.300 -0.011 0.000 1.149 159 I CB 1.956 39.952 38.000 -0.006 0.000 1.315 159 I HN 0.327 nan 8.210 nan 0.000 0.446 160 G N 4.605 113.387 108.800 -0.029 0.000 2.552 160 G HA2 0.568 4.529 3.960 0.001 0.000 0.324 160 G HA3 0.568 4.529 3.960 0.001 0.000 0.324 160 G C -0.581 174.290 174.900 -0.049 0.000 1.217 160 G CA -0.904 44.167 45.100 -0.047 0.000 0.989 160 G HN 0.522 nan 8.290 nan 0.000 0.490 161 R N -0.279 120.177 120.500 -0.074 0.000 2.316 161 R HA 0.442 4.782 4.340 0.001 0.000 0.314 161 R C 1.021 177.316 176.300 -0.008 0.000 1.069 161 R CA 0.856 56.919 56.100 -0.063 0.000 0.959 161 R CB 0.943 31.149 30.300 -0.157 0.000 0.987 161 R HN 1.065 nan 8.270 nan 0.000 0.446 162 G N 1.800 110.611 108.800 0.019 0.000 2.218 162 G HA2 -0.276 3.684 3.960 0.001 0.000 0.216 162 G HA3 -0.276 3.684 3.960 0.001 0.000 0.216 162 G C 0.220 175.132 174.900 0.019 0.000 0.994 162 G CA -0.319 44.800 45.100 0.031 0.000 0.637 162 G HN 0.566 nan 8.290 nan 0.000 0.505 163 Q N 0.264 120.069 119.800 0.009 0.000 2.394 163 Q HA 0.592 4.933 4.340 0.001 0.000 0.248 163 Q C 0.009 176.018 176.000 0.015 0.000 0.992 163 Q CA -0.187 55.621 55.803 0.008 0.000 0.888 163 Q CB 0.352 29.090 28.738 0.001 0.000 1.257 163 Q HN 0.331 nan 8.270 nan 0.000 0.462 164 R N 2.075 122.585 120.500 0.017 0.000 2.295 164 R HA 0.309 4.650 4.340 0.001 0.000 0.324 164 R C -1.309 175.001 176.300 0.016 0.000 0.968 164 R CA -0.474 55.639 56.100 0.021 0.000 0.837 164 R CB 1.514 31.828 30.300 0.024 0.000 1.133 164 R HN 0.455 nan 8.270 nan 0.000 0.450 165 E N 2.738 122.946 120.200 0.014 0.000 2.218 165 E HA 0.291 4.642 4.350 0.001 0.000 0.263 165 E C -1.505 175.104 176.600 0.015 0.000 0.879 165 E CA -0.917 55.492 56.400 0.014 0.000 0.762 165 E CB 1.016 30.724 29.700 0.013 0.000 1.166 165 E HN 0.377 nan 8.360 nan 0.000 0.415 166 L N 5.726 126.958 121.223 0.015 0.000 2.367 166 L HA 0.449 4.789 4.340 0.001 0.000 0.275 166 L C -0.965 175.923 176.870 0.030 0.000 1.129 166 L CA 0.146 54.994 54.840 0.013 0.000 0.839 166 L CB 0.470 42.531 42.059 0.004 0.000 1.133 166 L HN 0.645 nan 8.230 nan 0.000 0.453 167 I N 6.993 127.578 120.570 0.026 0.000 2.315 167 I HA 0.387 4.558 4.170 0.001 0.000 0.291 167 I C -0.146 176.002 176.117 0.051 0.000 1.006 167 I CA -0.041 61.283 61.300 0.039 0.000 1.265 167 I CB 1.013 39.030 38.000 0.027 0.000 1.387 167 I HN 0.592 nan 8.210 nan 0.000 0.475 168 I N 5.197 125.825 120.570 0.097 0.000 2.722 168 I HA 0.894 5.064 4.170 0.001 0.000 0.295 168 I C -0.366 175.875 176.117 0.206 0.000 1.161 168 I CA -0.005 61.382 61.300 0.144 0.000 1.032 168 I CB 2.114 40.207 38.000 0.155 0.000 1.244 168 I HN 0.713 nan 8.210 nan 0.000 0.421 169 G N 4.688 113.591 108.800 0.172 0.000 2.336 169 G HA2 0.138 4.098 3.960 0.001 0.000 0.300 169 G HA3 0.138 4.098 3.960 0.001 0.000 0.300 169 G C -1.956 172.979 174.900 0.058 0.000 1.375 169 G CA -0.872 44.290 45.100 0.104 0.000 0.885 169 G HN 0.543 nan 8.290 nan 0.000 0.599 170 D N 0.377 120.790 120.400 0.021 0.000 2.354 170 D HA 0.341 4.981 4.640 0.001 0.000 0.238 170 D C 1.404 177.686 176.300 -0.030 0.000 1.250 170 D CA 0.003 54.009 54.000 0.011 0.000 0.911 170 D CB 0.421 41.222 40.800 0.003 0.000 1.163 170 D HN 0.707 nan 8.370 nan 0.000 0.456 171 R N 0.695 121.183 120.500 -0.019 0.000 2.697 171 R HA -0.058 4.282 4.340 0.001 0.000 0.265 171 R C -0.146 176.093 176.300 -0.101 0.000 1.009 171 R CA -0.107 55.971 56.100 -0.037 0.000 1.099 171 R CB 0.053 30.345 30.300 -0.013 0.000 0.965 171 R HN 0.234 nan 8.270 nan 0.000 0.428 172 Q N -0.169 119.558 119.800 -0.120 0.000 2.457 172 Q HA -0.175 4.165 4.340 0.001 0.000 0.283 172 Q C 0.532 176.277 176.000 -0.425 0.000 1.234 172 Q CA 1.776 57.446 55.803 -0.222 0.000 0.877 172 Q CB -1.850 26.771 28.738 -0.196 0.000 1.250 172 Q HN 1.008 nan 8.270 nan 0.000 0.481 173 T N -5.436 108.929 114.554 -0.316 0.000 3.037 173 T HA 0.409 4.759 4.350 0.001 0.000 0.251 173 T C 1.228 175.800 174.700 -0.213 0.000 1.079 173 T CA 0.907 62.788 62.100 -0.364 0.000 1.067 173 T CB 0.949 69.682 68.868 -0.225 0.000 0.948 173 T HN 0.814 nan 8.240 nan 0.000 0.496 174 G N 1.328 110.049 108.800 -0.132 0.000 2.147 174 G HA2 -0.162 3.799 3.960 0.001 0.000 0.128 174 G HA3 -0.162 3.799 3.960 0.001 0.000 0.128 174 G C 0.650 175.545 174.900 -0.008 0.000 1.026 174 G CA 0.096 45.185 45.100 -0.019 0.000 0.693 174 G HN 0.427 nan 8.290 nan 0.000 0.499 175 K N -0.174 120.215 120.400 -0.018 0.000 1.991 175 K HA -0.086 4.234 4.320 0.001 0.000 0.212 175 K C 2.535 179.155 176.600 0.034 0.000 1.049 175 K CA 2.015 58.307 56.287 0.008 0.000 0.932 175 K CB -0.352 32.153 32.500 0.009 0.000 0.717 175 K HN 0.268 nan 8.250 nan 0.000 0.441 176 T N 1.063 115.648 114.554 0.051 0.000 2.788 176 T HA -0.105 4.245 4.350 0.001 0.000 0.268 176 T C 2.063 176.808 174.700 0.076 0.000 1.044 176 T CA 1.499 63.657 62.100 0.097 0.000 1.139 176 T CB -0.176 68.761 68.868 0.115 0.000 0.867 176 T HN 0.170 nan 8.240 nan 0.000 0.454 177 S N 1.245 116.967 115.700 0.037 0.000 2.382 177 S HA -0.051 4.420 4.470 0.001 0.000 0.228 177 S C 2.024 176.620 174.600 -0.006 0.000 1.027 177 S CA 0.720 58.919 58.200 -0.000 0.000 0.991 177 S CB -0.338 62.836 63.200 -0.044 0.000 0.823 177 S HN 0.359 nan 8.310 nan 0.000 0.469 178 I N 2.096 122.671 120.570 0.008 0.000 2.163 178 I HA -0.200 3.970 4.170 0.001 0.000 0.243 178 I C 2.736 178.873 176.117 0.033 0.000 1.085 178 I CA 1.465 62.773 61.300 0.012 0.000 1.347 178 I CB -1.777 36.232 38.000 0.016 0.000 1.044 178 I HN 0.256 nan 8.210 nan 0.000 0.408 179 A N 1.228 124.082 122.820 0.057 0.000 1.877 179 A HA -0.153 4.168 4.320 0.001 0.000 0.216 179 A C 2.206 179.848 177.584 0.097 0.000 1.186 179 A CA 1.265 53.354 52.037 0.086 0.000 0.620 179 A CB -0.550 18.529 19.000 0.131 0.000 0.822 179 A HN 0.272 nan 8.150 nan 0.000 0.443 180 I N 0.611 121.233 120.570 0.087 0.000 2.179 180 I HA -0.195 3.975 4.170 0.001 0.000 0.242 180 I C 1.868 178.033 176.117 0.081 0.000 1.088 180 I CA 1.609 62.953 61.300 0.073 0.000 1.357 180 I CB -1.720 36.326 38.000 0.077 0.000 1.051 180 I HN 0.244 nan 8.210 nan 0.000 0.409 181 D N 0.693 121.126 120.400 0.056 0.000 2.117 181 D HA -0.137 4.503 4.640 0.001 0.000 0.197 181 D C 2.224 178.560 176.300 0.060 0.000 0.987 181 D CA 1.590 55.619 54.000 0.048 0.000 0.829 181 D CB -0.214 40.582 40.800 -0.008 0.000 0.961 181 D HN 0.241 nan 8.370 nan 0.000 0.460 182 T N 0.672 115.261 114.554 0.058 0.000 2.699 182 T HA -0.138 4.212 4.350 0.001 0.000 0.268 182 T C 2.150 176.908 174.700 0.097 0.000 1.036 182 T CA 0.796 62.938 62.100 0.069 0.000 1.147 182 T CB -0.238 68.665 68.868 0.058 0.000 0.862 182 T HN 0.189 nan 8.240 nan 0.000 0.446 183 I N 0.307 120.946 120.570 0.116 0.000 2.252 183 I HA -0.093 4.077 4.170 0.001 0.000 0.245 183 I C 2.235 178.489 176.117 0.229 0.000 1.102 183 I CA 1.215 62.621 61.300 0.176 0.000 1.385 183 I CB -0.377 37.711 38.000 0.147 0.000 1.064 183 I HN 0.214 nan 8.210 nan 0.000 0.414 184 I N 0.882 121.542 120.570 0.151 0.000 2.286 184 I HA -0.308 3.862 4.170 0.001 0.000 0.248 184 I C 2.240 178.418 176.117 0.102 0.000 1.115 184 I CA 1.382 62.767 61.300 0.141 0.000 1.392 184 I CB -0.536 37.525 38.000 0.100 0.000 1.065 184 I HN 0.301 nan 8.210 nan 0.000 0.418 185 N N 0.694 119.431 118.700 0.061 0.000 2.205 185 N HA -0.220 4.520 4.740 0.001 0.000 0.186 185 N C 1.753 177.194 175.510 -0.114 0.000 1.015 185 N CA 1.190 54.233 53.050 -0.012 0.000 0.862 185 N CB 0.040 38.551 38.487 0.039 0.000 0.986 185 N HN 0.223 nan 8.380 nan 0.000 0.429 186 Q N 0.304 120.086 119.800 -0.030 0.000 2.488 186 Q HA -0.050 4.290 4.340 0.001 0.000 0.211 186 Q C 1.580 177.340 176.000 -0.399 0.000 0.967 186 Q CA 0.453 56.189 55.803 -0.112 0.000 0.926 186 Q CB -0.146 28.497 28.738 -0.158 0.000 0.992 186 Q HN 0.499 nan 8.270 nan 0.000 0.506 187 K N 1.457 121.697 120.400 -0.268 0.000 2.044 187 K HA -0.213 4.107 4.320 0.001 0.000 0.210 187 K C 2.026 178.452 176.600 -0.290 0.000 1.049 187 K CA 1.670 57.849 56.287 -0.180 0.000 0.927 187 K CB 0.056 32.561 32.500 0.008 0.000 0.713 187 K HN 0.275 nan 8.250 nan 0.000 0.443 188 R N -0.420 119.806 120.500 -0.457 0.000 2.096 188 R HA -0.140 4.200 4.340 0.001 0.000 0.235 188 R C 2.092 178.119 176.300 -0.455 0.000 1.127 188 R CA 1.906 57.709 56.100 -0.495 0.000 0.968 188 R CB -0.819 29.117 30.300 -0.607 0.000 0.861 188 R HN 0.171 nan 8.270 nan 0.000 0.440 189 F N 1.445 121.303 119.950 -0.154 0.000 2.234 189 F HA 0.096 4.623 4.527 0.001 0.000 0.296 189 F C 1.875 177.556 175.800 -0.198 0.000 1.089 189 F CA 0.295 58.197 58.000 -0.164 0.000 1.343 189 F CB -0.382 38.510 39.000 -0.180 0.000 1.040 189 F HN -0.026 nan 8.300 nan 0.000 0.498 190 N N 0.125 118.738 118.700 -0.146 0.000 2.459 190 N HA -0.112 4.629 4.740 0.001 0.000 0.181 190 N C 0.848 176.284 175.510 -0.123 0.000 1.046 190 N CA 0.990 53.901 53.050 -0.230 0.000 0.904 190 N CB -0.370 37.808 38.487 -0.516 0.000 0.964 190 N HN 0.276 nan 8.380 nan 0.000 0.444 191 D N -0.433 119.906 120.400 -0.103 0.000 2.366 191 D HA 0.101 4.742 4.640 0.001 0.000 0.205 191 D C 1.231 177.505 176.300 -0.042 0.000 1.022 191 D CA 0.190 54.156 54.000 -0.057 0.000 0.868 191 D CB 0.065 40.830 40.800 -0.059 0.000 0.953 191 D HN 0.114 nan 8.370 nan 0.000 0.514 192 G N -0.100 108.675 108.800 -0.041 0.000 2.553 192 G HA2 0.272 4.232 3.960 0.001 0.000 0.278 192 G HA3 0.272 4.232 3.960 0.001 0.000 0.278 192 G C 0.923 175.820 174.900 -0.005 0.000 1.349 192 G CA 0.365 45.456 45.100 -0.014 0.000 1.037 192 G HN 0.156 nan 8.290 nan 0.000 0.508 193 T N -3.065 111.491 114.554 0.004 0.000 3.044 193 T HA 0.135 4.485 4.350 0.001 0.000 0.260 193 T C 0.290 174.995 174.700 0.009 0.000 1.019 193 T CA 0.015 62.118 62.100 0.005 0.000 0.921 193 T CB 0.405 69.275 68.868 0.004 0.000 1.053 193 T HN 0.319 nan 8.240 nan 0.000 0.533 194 D N 2.123 122.530 120.400 0.012 0.000 2.402 194 D HA 0.170 4.811 4.640 0.001 0.000 0.235 194 D C 1.020 177.322 176.300 0.004 0.000 1.226 194 D CA -0.086 53.919 54.000 0.008 0.000 0.918 194 D CB 1.252 42.056 40.800 0.007 0.000 1.043 194 D HN 0.221 nan 8.370 nan 0.000 0.506 195 E N 2.899 123.106 120.200 0.012 0.000 2.204 195 E HA -0.134 4.216 4.350 0.001 0.000 0.194 195 E C 1.338 177.959 176.600 0.035 0.000 0.989 195 E CA 1.118 57.530 56.400 0.021 0.000 0.824 195 E CB 0.328 30.050 29.700 0.037 0.000 0.756 195 E HN 0.336 nan 8.360 nan 0.000 0.477 196 K N 0.014 120.433 120.400 0.033 0.000 2.296 196 K HA -0.016 4.304 4.320 0.001 0.000 0.200 196 K C 1.651 178.247 176.600 -0.005 0.000 1.048 196 K CA 0.611 56.939 56.287 0.068 0.000 0.966 196 K CB 0.111 32.636 32.500 0.043 0.000 0.754 196 K HN 0.080 nan 8.250 nan 0.000 0.466 197 K N 1.244 121.593 120.400 -0.085 0.000 2.400 197 K HA 0.058 4.378 4.320 0.001 0.000 0.194 197 K C 0.291 176.747 176.600 -0.241 0.000 1.033 197 K CA 0.133 56.279 56.287 -0.236 0.000 1.021 197 K CB 0.319 32.678 32.500 -0.236 0.000 0.808 197 K HN 0.089 nan 8.250 nan 0.000 0.505 198 K N 1.290 121.618 120.400 -0.120 0.000 2.414 198 K HA 0.054 4.374 4.320 0.001 0.000 0.272 198 K C -0.530 175.920 176.600 -0.249 0.000 0.993 198 K CA -0.026 56.147 56.287 -0.189 0.000 0.964 198 K CB 0.543 32.891 32.500 -0.253 0.000 0.925 198 K HN -0.141 nan 8.250 nan 0.000 0.487 199 L N 3.887 124.901 121.223 -0.347 0.000 2.446 199 L HA 0.281 4.621 4.340 0.001 0.000 0.268 199 L C -1.602 175.059 176.870 -0.349 0.000 0.975 199 L CA -0.445 54.238 54.840 -0.262 0.000 0.848 199 L CB 0.788 42.766 42.059 -0.135 0.000 1.225 199 L HN 0.415 nan 8.230 nan 0.000 0.410 200 Y N 3.203 123.365 120.300 -0.230 0.000 2.319 200 Y HA 0.477 5.027 4.550 0.000 0.000 0.328 200 Y C 0.579 176.393 175.900 -0.143 0.000 1.133 200 Y CA -0.138 57.791 58.100 -0.284 0.000 1.265 200 Y CB 0.855 38.788 38.460 -0.877 0.000 1.218 200 Y HN 0.499 nan 8.280 nan 0.000 0.508 201 C N 4.440 123.842 119.300 0.170 0.000 2.435 201 C HA 0.736 5.196 4.460 0.001 0.000 0.333 201 C C -0.127 174.939 174.990 0.128 0.000 1.202 201 C CA -1.145 57.962 59.018 0.148 0.000 1.830 201 C CB 0.458 28.326 27.740 0.214 0.000 2.326 201 C HN 0.660 nan 8.230 nan 0.000 0.507 202 I N 1.804 122.427 120.570 0.089 0.000 2.512 202 I HA 0.259 4.429 4.170 0.001 0.000 0.287 202 I C -1.330 174.815 176.117 0.047 0.000 1.069 202 I CA -0.455 60.891 61.300 0.076 0.000 1.056 202 I CB 1.375 39.408 38.000 0.055 0.000 1.229 202 I HN 0.649 nan 8.210 nan 0.000 0.429 203 Y N 7.028 127.309 120.300 -0.030 0.000 2.402 203 Y HA 0.548 5.099 4.550 0.001 0.000 0.332 203 Y C -0.798 175.082 175.900 -0.032 0.000 0.960 203 Y CA -0.676 57.397 58.100 -0.045 0.000 1.228 203 Y CB 1.189 39.635 38.460 -0.023 0.000 1.120 203 Y HN 0.272 nan 8.280 nan 0.000 0.491 204 V N 6.361 126.023 119.914 -0.421 0.000 2.364 204 V HA 0.586 4.706 4.120 0.001 0.000 0.272 204 V C 0.156 176.026 176.094 -0.374 0.000 1.036 204 V CA -0.542 61.612 62.300 -0.243 0.000 0.880 204 V CB 0.671 32.440 31.823 -0.091 0.000 0.991 204 V HN 0.896 nan 8.190 nan 0.000 0.460 205 A N 6.944 129.698 122.820 -0.109 0.000 2.252 205 A HA 0.839 5.160 4.320 0.001 0.000 0.309 205 A C -0.651 176.945 177.584 0.021 0.000 1.285 205 A CA -0.325 51.714 52.037 0.005 0.000 0.900 205 A CB 0.072 19.202 19.000 0.216 0.000 1.157 205 A HN 0.735 nan 8.150 nan 0.000 0.536 206 I N 1.841 122.419 120.570 0.013 0.000 2.436 206 I HA 0.588 4.759 4.170 0.001 0.000 0.289 206 I C 1.151 177.303 176.117 0.058 0.000 1.010 206 I CA 0.487 61.809 61.300 0.038 0.000 1.098 206 I CB 1.843 39.858 38.000 0.026 0.000 1.266 206 I HN 0.975 nan 8.210 nan 0.000 0.434 207 G N 3.509 112.351 108.800 0.070 0.000 2.189 207 G HA2 -0.256 3.705 3.960 0.001 0.000 0.267 207 G HA3 -0.256 3.705 3.960 0.001 0.000 0.267 207 G C 0.389 175.330 174.900 0.068 0.000 0.975 207 G CA -0.060 45.084 45.100 0.073 0.000 0.644 207 G HN 0.607 nan 8.290 nan 0.000 0.537 208 Q N 0.313 120.156 119.800 0.072 0.000 2.396 208 Q HA 0.422 4.762 4.340 0.001 0.000 0.221 208 Q C 0.812 176.850 176.000 0.062 0.000 1.025 208 Q CA 0.098 55.944 55.803 0.072 0.000 0.946 208 Q CB 0.485 29.280 28.738 0.095 0.000 1.224 208 Q HN 0.644 nan 8.270 nan 0.000 0.539 209 K N 0.373 120.806 120.400 0.054 0.000 2.218 209 K HA 0.184 4.505 4.320 0.001 0.000 0.276 209 K C 0.415 177.042 176.600 0.044 0.000 1.022 209 K CA -0.422 55.892 56.287 0.045 0.000 0.946 209 K CB 1.084 33.605 32.500 0.036 0.000 1.000 209 K HN 0.446 nan 8.250 nan 0.000 0.468 210 R N 0.875 121.398 120.500 0.039 0.000 2.103 210 R HA -0.193 4.147 4.340 0.001 0.000 0.242 210 R C 2.244 178.559 176.300 0.025 0.000 1.142 210 R CA 2.392 58.513 56.100 0.034 0.000 0.960 210 R CB -0.284 30.033 30.300 0.029 0.000 0.858 210 R HN 0.963 nan 8.270 nan 0.000 0.439 211 S N -0.985 114.728 115.700 0.021 0.000 2.402 211 S HA -0.092 4.379 4.470 0.001 0.000 0.229 211 S C 1.901 176.507 174.600 0.010 0.000 1.021 211 S CA 1.508 59.715 58.200 0.013 0.000 0.974 211 S CB -0.243 62.964 63.200 0.012 0.000 0.800 211 S HN 0.192 nan 8.310 nan 0.000 0.484 212 T N 2.444 117.010 114.554 0.019 0.000 2.708 212 T HA -0.014 4.337 4.350 0.001 0.000 0.266 212 T C 1.905 176.610 174.700 0.008 0.000 1.037 212 T CA 1.501 63.612 62.100 0.019 0.000 1.146 212 T CB -0.575 68.314 68.868 0.036 0.000 0.865 212 T HN 0.298 nan 8.240 nan 0.000 0.435 213 V N 1.827 121.756 119.914 0.024 0.000 2.332 213 V HA -0.191 3.929 4.120 0.001 0.000 0.248 213 V C 2.869 178.950 176.094 -0.022 0.000 1.055 213 V CA 1.720 64.029 62.300 0.015 0.000 1.038 213 V CB -1.261 30.598 31.823 0.059 0.000 0.651 213 V HN 0.524 nan 8.190 nan 0.000 0.450 214 A N -0.775 122.039 122.820 -0.011 0.000 1.883 214 A HA -0.258 4.063 4.320 0.001 0.000 0.217 214 A C 2.208 179.768 177.584 -0.040 0.000 1.186 214 A CA 1.709 53.733 52.037 -0.022 0.000 0.624 214 A CB -0.497 18.496 19.000 -0.011 0.000 0.822 214 A HN 0.531 nan 8.150 nan 0.000 0.444 215 Q N -0.725 119.055 119.800 -0.035 0.000 2.096 215 Q HA -0.159 4.181 4.340 0.001 0.000 0.204 215 Q C 2.125 178.082 176.000 -0.071 0.000 0.982 215 Q CA 1.148 56.925 55.803 -0.044 0.000 0.850 215 Q CB -0.616 28.106 28.738 -0.026 0.000 0.901 215 Q HN 0.600 nan 8.270 nan 0.000 0.422 216 L N 1.050 122.218 121.223 -0.093 0.000 2.012 216 L HA -0.129 4.212 4.340 0.001 0.000 0.210 216 L C 2.415 179.180 176.870 -0.174 0.000 1.073 216 L CA 1.988 56.730 54.840 -0.163 0.000 0.748 216 L CB -1.164 40.736 42.059 -0.266 0.000 0.891 216 L HN 0.205 nan 8.230 nan 0.000 0.431 217 V N -1.123 118.706 119.914 -0.141 0.000 2.548 217 V HA -0.186 3.934 4.120 0.001 0.000 0.249 217 V C 2.642 178.676 176.094 -0.100 0.000 1.055 217 V CA 1.817 64.044 62.300 -0.120 0.000 1.065 217 V CB -0.625 31.149 31.823 -0.082 0.000 0.681 217 V HN 0.424 nan 8.190 nan 0.000 0.462 218 K N 1.680 122.029 120.400 -0.085 0.000 2.063 218 K HA -0.216 4.104 4.320 0.001 0.000 0.208 218 K C 2.296 178.838 176.600 -0.097 0.000 1.048 218 K CA 2.412 58.652 56.287 -0.079 0.000 0.928 218 K CB -0.691 31.770 32.500 -0.066 0.000 0.713 218 K HN 0.540 nan 8.250 nan 0.000 0.442 219 R N 0.529 120.962 120.500 -0.111 0.000 2.073 219 R HA 0.024 4.365 4.340 0.001 0.000 0.234 219 R C 2.172 178.396 176.300 -0.126 0.000 1.134 219 R CA 1.778 57.798 56.100 -0.133 0.000 0.952 219 R CB -0.736 29.489 30.300 -0.126 0.000 0.850 219 R HN 0.346 nan 8.270 nan 0.000 0.433 220 L N -0.192 120.955 121.223 -0.127 0.000 2.093 220 L HA -0.124 4.216 4.340 0.001 0.000 0.208 220 L C 2.227 179.015 176.870 -0.137 0.000 1.085 220 L CA 1.824 56.582 54.840 -0.136 0.000 0.755 220 L CB -0.718 41.243 42.059 -0.162 0.000 0.904 220 L HN 0.309 nan 8.230 nan 0.000 0.435 221 T N -0.748 113.735 114.554 -0.119 0.000 2.652 221 T HA -0.200 4.150 4.350 0.001 0.000 0.267 221 T C 1.447 176.093 174.700 -0.089 0.000 1.039 221 T CA 1.687 63.727 62.100 -0.100 0.000 1.153 221 T CB -0.293 68.527 68.868 -0.079 0.000 0.863 221 T HN 0.292 nan 8.240 nan 0.000 0.428 222 D N 1.395 121.741 120.400 -0.090 0.000 2.158 222 D HA -0.042 4.599 4.640 0.001 0.000 0.197 222 D C 1.970 178.221 176.300 -0.080 0.000 0.995 222 D CA 1.177 55.126 54.000 -0.085 0.000 0.846 222 D CB -0.350 40.389 40.800 -0.102 0.000 0.941 222 D HN 0.446 nan 8.370 nan 0.000 0.456 223 A N 0.043 122.811 122.820 -0.087 0.000 2.238 223 A HA 0.028 4.348 4.320 0.001 0.000 0.208 223 A C 0.465 178.019 177.584 -0.051 0.000 1.177 223 A CA 0.523 52.522 52.037 -0.063 0.000 0.804 223 A CB -0.007 18.962 19.000 -0.051 0.000 0.823 223 A HN 0.074 nan 8.150 nan 0.000 0.482 224 D N -2.725 117.632 120.400 -0.072 0.000 2.723 224 D HA -0.203 4.437 4.640 0.001 0.000 0.236 224 D C 0.697 176.920 176.300 -0.128 0.000 1.138 224 D CA 1.028 54.986 54.000 -0.070 0.000 0.676 224 D CB -1.242 39.544 40.800 -0.022 0.000 1.069 224 D HN 0.515 nan 8.370 nan 0.000 0.430 225 A N -0.500 122.165 122.820 -0.258 0.000 2.167 225 A HA 0.148 4.468 4.320 0.001 0.000 0.208 225 A C 2.075 179.174 177.584 -0.808 0.000 1.198 225 A CA 0.374 52.024 52.037 -0.646 0.000 0.863 225 A CB 0.023 18.810 19.000 -0.356 0.000 0.904 225 A HN 0.279 nan 8.150 nan 0.000 0.484 226 M N 1.412 120.776 119.600 -0.393 0.000 2.202 226 M HA -0.182 4.298 4.480 0.001 0.000 0.262 226 M C 2.063 178.227 176.300 -0.227 0.000 1.063 226 M CA 1.941 57.083 55.300 -0.264 0.000 1.097 226 M CB -0.931 31.581 32.600 -0.146 0.000 1.382 226 M HN 0.698 nan 8.290 nan 0.000 0.413 227 K N 0.234 120.504 120.400 -0.215 0.000 2.281 227 K HA -0.184 4.136 4.320 0.001 0.000 0.203 227 K C 0.861 177.487 176.600 0.043 0.000 1.046 227 K CA 1.591 57.844 56.287 -0.055 0.000 0.938 227 K CB -0.666 31.839 32.500 0.009 0.000 0.737 227 K HN 0.524 nan 8.250 nan 0.000 0.458 228 Y N -0.308 120.018 120.300 0.042 0.000 2.696 228 Y HA 0.479 5.029 4.550 0.001 0.000 0.260 228 Y C -0.656 175.286 175.900 0.070 0.000 1.165 228 Y CA -1.108 57.028 58.100 0.060 0.000 1.189 228 Y CB 0.150 38.592 38.460 -0.029 0.000 1.180 228 Y HN -0.212 nan 8.280 nan 0.000 0.538 229 T N 2.606 117.171 114.554 0.018 0.000 2.881 229 T HA 0.565 4.915 4.350 0.001 0.000 0.290 229 T C -0.542 174.198 174.700 0.066 0.000 1.000 229 T CA -0.439 61.683 62.100 0.037 0.000 0.978 229 T CB 1.694 70.513 68.868 -0.082 0.000 0.997 229 T HN 0.171 nan 8.240 nan 0.000 0.443 230 I N 2.419 123.055 120.570 0.111 0.000 2.385 230 I HA 0.511 4.682 4.170 0.001 0.000 0.294 230 I C -0.385 175.791 176.117 0.099 0.000 0.988 230 I CA -1.015 60.346 61.300 0.102 0.000 1.265 230 I CB 1.543 39.620 38.000 0.128 0.000 1.388 230 I HN 0.226 nan 8.210 nan 0.000 0.480 231 V N 6.967 126.932 119.914 0.084 0.000 2.378 231 V HA 0.330 4.450 4.120 0.001 0.000 0.288 231 V C -0.059 176.091 176.094 0.093 0.000 1.016 231 V CA -0.654 61.716 62.300 0.118 0.000 0.840 231 V CB 1.776 33.657 31.823 0.097 0.000 0.994 231 V HN 0.403 nan 8.190 nan 0.000 0.431 232 V N 3.927 123.898 119.914 0.094 0.000 2.427 232 V HA 0.582 4.702 4.120 0.001 0.000 0.286 232 V C 0.216 176.353 176.094 0.071 0.000 1.034 232 V CA -0.145 62.191 62.300 0.060 0.000 0.893 232 V CB 1.790 33.635 31.823 0.036 0.000 0.982 232 V HN 0.839 nan 8.190 nan 0.000 0.452 233 S N 3.850 119.586 115.700 0.061 0.000 2.789 233 S HA 0.698 5.168 4.470 0.001 0.000 0.286 233 S C -0.321 174.313 174.600 0.056 0.000 1.153 233 S CA -0.176 58.067 58.200 0.072 0.000 1.084 233 S CB 0.916 64.163 63.200 0.078 0.000 1.036 233 S HN 1.060 nan 8.310 nan 0.000 0.484 234 A N 4.441 127.295 122.820 0.056 0.000 2.654 234 A HA 0.600 4.920 4.320 0.001 0.000 0.345 234 A C 0.715 178.340 177.584 0.069 0.000 1.368 234 A CA -0.554 51.520 52.037 0.062 0.000 0.895 234 A CB -0.283 18.756 19.000 0.066 0.000 1.143 234 A HN 0.836 nan 8.150 nan 0.000 0.490 235 T N -1.027 113.567 114.554 0.066 0.000 2.753 235 T HA 0.484 4.834 4.350 0.001 0.000 0.309 235 T C 1.515 176.253 174.700 0.064 0.000 1.043 235 T CA 0.136 62.275 62.100 0.065 0.000 0.964 235 T CB 0.621 69.524 68.868 0.059 0.000 1.206 235 T HN 0.873 nan 8.240 nan 0.000 0.528 236 A N 0.345 123.200 122.820 0.058 0.000 2.066 236 A HA 0.075 4.395 4.320 0.001 0.000 0.218 236 A C 2.358 179.973 177.584 0.052 0.000 1.157 236 A CA 1.262 53.333 52.037 0.056 0.000 0.670 236 A CB -1.089 17.941 19.000 0.050 0.000 0.804 236 A HN 0.972 nan 8.150 nan 0.000 0.453 237 S N -0.555 115.173 115.700 0.048 0.000 2.556 237 S HA 0.106 4.577 4.470 0.001 0.000 0.216 237 S C -0.250 174.380 174.600 0.049 0.000 0.970 237 S CA -0.376 57.850 58.200 0.043 0.000 0.912 237 S CB -0.166 63.055 63.200 0.035 0.000 0.790 237 S HN 0.332 nan 8.310 nan 0.000 0.504 238 D N 3.010 123.446 120.400 0.061 0.000 2.345 238 D HA 0.550 5.190 4.640 0.001 0.000 0.247 238 D C 0.359 176.711 176.300 0.087 0.000 1.108 238 D CA 0.096 54.141 54.000 0.074 0.000 0.894 238 D CB 1.271 42.120 40.800 0.082 0.000 1.203 238 D HN 0.428 nan 8.370 nan 0.000 0.430 239 A N 1.861 124.739 122.820 0.096 0.000 2.587 239 A HA 0.277 4.597 4.320 0.001 0.000 0.233 239 A C 1.551 179.216 177.584 0.135 0.000 1.049 239 A CA 0.487 52.584 52.037 0.099 0.000 0.754 239 A CB 0.094 19.157 19.000 0.104 0.000 0.977 239 A HN 0.664 nan 8.150 nan 0.000 0.509 240 A N 3.823 126.709 122.820 0.109 0.000 1.896 240 A HA -0.146 4.175 4.320 0.001 0.000 0.220 240 A C -0.013 177.704 177.584 0.220 0.000 1.206 240 A CA 2.313 54.432 52.037 0.136 0.000 0.647 240 A CB -1.896 17.154 19.000 0.082 0.000 0.828 240 A HN 0.663 nan 8.150 nan 0.000 0.455 241 P HA -0.142 nan 4.420 nan 0.000 0.217 241 P C 1.406 179.061 177.300 0.591 0.000 1.148 241 P CA 0.969 64.298 63.100 0.382 0.000 0.828 241 P CB -0.128 31.691 31.700 0.197 0.000 0.783 242 L N -1.151 120.331 121.223 0.431 0.000 2.072 242 L HA -0.164 4.176 4.340 0.001 0.000 0.205 242 L C 2.611 179.599 176.870 0.198 0.000 1.079 242 L CA 1.439 56.440 54.840 0.269 0.000 0.752 242 L CB -0.849 41.323 42.059 0.188 0.000 0.906 242 L HN -0.007 nan 8.230 nan 0.000 0.436 243 Q N -1.013 118.913 119.800 0.209 0.000 2.124 243 Q HA -0.258 4.082 4.340 0.001 0.000 0.202 243 Q C 2.094 178.215 176.000 0.202 0.000 0.977 243 Q CA 1.883 57.788 55.803 0.170 0.000 0.850 243 Q CB -0.308 28.527 28.738 0.161 0.000 0.901 243 Q HN 0.515 nan 8.270 nan 0.000 0.429 244 Y N 0.950 121.351 120.300 0.169 0.000 2.181 244 Y HA -0.241 4.309 4.550 0.000 0.000 0.288 244 Y C 1.915 177.956 175.900 0.236 0.000 1.146 244 Y CA 1.215 59.437 58.100 0.203 0.000 1.164 244 Y CB -0.133 38.484 38.460 0.263 0.000 0.982 244 Y HN 0.072 nan 8.280 nan 0.000 0.515 245 L N 0.488 121.800 121.223 0.147 0.000 2.179 245 L HA 0.094 4.434 4.340 0.001 0.000 0.208 245 L C 2.574 179.453 176.870 0.015 0.000 1.096 245 L CA 1.611 56.487 54.840 0.060 0.000 0.779 245 L CB -1.121 40.980 42.059 0.069 0.000 0.922 245 L HN 0.306 nan 8.230 nan 0.000 0.443 246 A N 0.581 123.395 122.820 -0.009 0.000 1.903 246 A HA -0.205 4.115 4.320 0.001 0.000 0.219 246 A C -0.042 177.505 177.584 -0.061 0.000 1.191 246 A CA 2.383 54.406 52.037 -0.024 0.000 0.638 246 A CB -2.152 16.849 19.000 0.002 0.000 0.823 246 A HN 0.410 nan 8.150 nan 0.000 0.451 247 P HA -0.146 nan 4.420 nan 0.000 0.216 247 P C 0.936 178.067 177.300 -0.283 0.000 1.150 247 P CA 1.306 64.248 63.100 -0.263 0.000 0.837 247 P CB -0.238 31.024 31.700 -0.730 0.000 0.786 248 Y N -0.138 120.061 120.300 -0.169 0.000 2.181 248 Y HA -0.157 4.393 4.550 0.000 0.000 0.288 248 Y C 2.630 178.491 175.900 -0.066 0.000 1.146 248 Y CA 1.392 59.404 58.100 -0.148 0.000 1.164 248 Y CB -1.301 37.022 38.460 -0.228 0.000 0.982 248 Y HN -0.069 nan 8.280 nan 0.000 0.515 249 S N 0.009 115.755 115.700 0.076 0.000 2.368 249 S HA -0.185 4.286 4.470 0.001 0.000 0.225 249 S C 2.407 177.034 174.600 0.045 0.000 1.030 249 S CA 1.167 59.387 58.200 0.034 0.000 0.999 249 S CB -1.131 62.066 63.200 -0.006 0.000 0.844 249 S HN 0.656 nan 8.310 nan 0.000 0.459 250 G N 0.440 109.275 108.800 0.059 0.000 2.446 250 G HA2 -0.287 3.673 3.960 0.001 0.000 0.217 250 G HA3 -0.287 3.673 3.960 0.001 0.000 0.217 250 G C 1.733 176.696 174.900 0.105 0.000 1.168 250 G CA 1.068 46.213 45.100 0.076 0.000 0.771 250 G HN 0.581 nan 8.290 nan 0.000 0.551 251 C N 0.586 119.973 119.300 0.145 0.000 2.413 251 C HA -0.049 4.411 4.460 0.001 0.000 0.276 251 C C 3.325 178.382 174.990 0.112 0.000 1.236 251 C CA 1.795 60.906 59.018 0.155 0.000 1.735 251 C CB -1.002 26.827 27.740 0.148 0.000 2.031 251 C HN 0.379 nan 8.230 nan 0.000 0.474 252 S N 0.538 116.290 115.700 0.086 0.000 2.370 252 S HA -0.200 4.270 4.470 0.001 0.000 0.226 252 S C 1.694 176.327 174.600 0.055 0.000 1.033 252 S CA 2.125 60.361 58.200 0.059 0.000 1.011 252 S CB -0.418 62.802 63.200 0.034 0.000 0.852 252 S HN 0.668 nan 8.310 nan 0.000 0.457 253 M N 0.897 120.529 119.600 0.054 0.000 2.279 253 M HA -0.050 4.430 4.480 0.001 0.000 0.264 253 M C 2.303 178.693 176.300 0.150 0.000 1.062 253 M CA 1.336 56.665 55.300 0.050 0.000 1.099 253 M CB -0.603 32.035 32.600 0.063 0.000 1.394 253 M HN 0.447 nan 8.290 nan 0.000 0.426 254 G N -0.116 108.796 108.800 0.188 0.000 2.408 254 G HA2 -0.114 3.846 3.960 0.001 0.000 0.213 254 G HA3 -0.114 3.846 3.960 0.001 0.000 0.213 254 G C 1.292 176.331 174.900 0.231 0.000 1.177 254 G CA 0.180 45.450 45.100 0.283 0.000 0.802 254 G HN 0.439 nan 8.290 nan 0.000 0.533 255 E N -0.393 119.888 120.200 0.135 0.000 2.219 255 E HA -0.228 4.123 4.350 0.001 0.000 0.198 255 E C 1.921 178.548 176.600 0.045 0.000 0.998 255 E CA 0.931 57.383 56.400 0.086 0.000 0.818 255 E CB -0.241 29.500 29.700 0.067 0.000 0.741 255 E HN 0.597 nan 8.360 nan 0.000 0.477 256 Y N 0.618 120.838 120.300 -0.132 0.000 2.097 256 Y HA -0.283 4.267 4.550 0.001 0.000 0.282 256 Y C 1.763 177.463 175.900 -0.333 0.000 1.152 256 Y CA 1.742 59.663 58.100 -0.299 0.000 1.136 256 Y CB -0.572 37.578 38.460 -0.517 0.000 0.975 256 Y HN -0.053 nan 8.280 nan 0.000 0.498 257 F N 0.130 119.954 119.950 -0.210 0.000 2.102 257 F HA -0.155 4.372 4.527 0.000 0.000 0.298 257 F C 2.797 178.467 175.800 -0.217 0.000 1.105 257 F CA 1.733 59.551 58.000 -0.303 0.000 1.239 257 F CB -0.704 38.206 39.000 -0.149 0.000 0.991 257 F HN -0.088 nan 8.300 nan 0.000 0.474 258 R N 0.614 121.158 120.500 0.073 0.000 2.119 258 R HA -0.205 4.135 4.340 0.001 0.000 0.246 258 R C 0.850 177.132 176.300 -0.030 0.000 1.146 258 R CA 2.197 58.314 56.100 0.028 0.000 0.962 258 R CB -0.381 29.952 30.300 0.056 0.000 0.863 258 R HN 0.188 nan 8.270 nan 0.000 0.442 259 D N -0.495 119.865 120.400 -0.066 0.000 2.340 259 D HA 0.059 4.699 4.640 0.001 0.000 0.217 259 D C -0.178 176.053 176.300 -0.115 0.000 1.081 259 D CA 0.288 54.259 54.000 -0.047 0.000 0.842 259 D CB 0.311 41.102 40.800 -0.015 0.000 0.934 259 D HN 0.178 nan 8.370 nan 0.000 0.511 260 N N -0.069 118.505 118.700 -0.210 0.000 2.553 260 N HA 0.180 4.920 4.740 0.001 0.000 0.298 260 N C 0.799 176.209 175.510 -0.167 0.000 1.596 260 N CA -0.028 52.879 53.050 -0.239 0.000 0.910 260 N CB 1.427 39.634 38.487 -0.467 0.000 1.336 260 N HN 0.057 nan 8.380 nan 0.000 0.497 261 G N 1.006 109.730 108.800 -0.126 0.000 2.168 261 G HA2 -0.324 3.637 3.960 0.001 0.000 0.257 261 G HA3 -0.324 3.637 3.960 0.001 0.000 0.257 261 G C 0.182 174.960 174.900 -0.204 0.000 0.997 261 G CA 0.751 45.775 45.100 -0.125 0.000 0.708 261 G HN 0.353 nan 8.290 nan 0.000 0.520 262 K N -1.044 119.229 120.400 -0.213 0.000 2.313 262 K HA 0.711 5.032 4.320 0.001 0.000 0.235 262 K C -0.574 175.823 176.600 -0.339 0.000 1.035 262 K CA -0.955 55.231 56.287 -0.168 0.000 0.868 262 K CB 1.137 33.742 32.500 0.175 0.000 1.232 262 K HN 0.374 nan 8.250 nan 0.000 0.459 263 H N -0.642 118.540 119.070 0.187 0.000 2.529 263 H HA 0.598 5.154 4.556 0.001 0.000 0.348 263 H C -1.254 174.137 175.328 0.104 0.000 1.079 263 H CA -0.835 55.275 56.048 0.103 0.000 1.198 263 H CB 2.039 31.807 29.762 0.010 0.000 1.521 263 H HN 0.620 nan 8.280 nan 0.000 0.514 264 A N 2.675 125.607 122.820 0.188 0.000 2.414 264 A HA 0.584 4.904 4.320 0.001 0.000 0.306 264 A C -1.614 176.017 177.584 0.078 0.000 1.054 264 A CA -0.655 51.443 52.037 0.102 0.000 0.724 264 A CB 1.233 20.329 19.000 0.160 0.000 1.267 264 A HN 0.541 nan 8.150 nan 0.000 0.418 265 L N 2.477 123.726 121.223 0.044 0.000 2.313 265 L HA 0.769 5.110 4.340 0.001 0.000 0.283 265 L C -0.822 176.037 176.870 -0.019 0.000 1.013 265 L CA -0.427 54.421 54.840 0.014 0.000 0.816 265 L CB 1.123 43.194 42.059 0.019 0.000 1.236 265 L HN 0.681 nan 8.230 nan 0.000 0.419 266 I N 5.364 125.872 120.570 -0.104 0.000 2.474 266 I HA 0.523 4.693 4.170 0.001 0.000 0.294 266 I C -1.163 174.699 176.117 -0.425 0.000 1.005 266 I CA -0.665 60.473 61.300 -0.271 0.000 1.113 266 I CB 1.293 39.077 38.000 -0.360 0.000 1.289 266 I HN 0.452 nan 8.210 nan 0.000 0.436 267 I N 7.920 128.218 120.570 -0.453 0.000 2.378 267 I HA 0.232 4.403 4.170 0.001 0.000 0.291 267 I C -1.076 174.654 176.117 -0.646 0.000 0.992 267 I CA -0.506 60.529 61.300 -0.442 0.000 1.154 267 I CB 0.974 38.838 38.000 -0.227 0.000 1.315 267 I HN 0.487 nan 8.210 nan 0.000 0.448 268 Y N 3.590 123.755 120.300 -0.226 0.000 2.595 268 Y HA 0.293 4.843 4.550 0.001 0.000 0.336 268 Y C 0.261 176.011 175.900 -0.250 0.000 0.996 268 Y CA -0.584 57.363 58.100 -0.255 0.000 1.260 268 Y CB 0.754 39.078 38.460 -0.226 0.000 1.108 268 Y HN 0.416 nan 8.280 nan 0.000 0.509 269 D N 3.839 124.105 120.400 -0.223 0.000 2.479 269 D HA 0.168 4.809 4.640 0.001 0.000 0.247 269 D C -1.202 175.058 176.300 -0.067 0.000 1.119 269 D CA -0.356 53.546 54.000 -0.163 0.000 0.922 269 D CB 0.259 40.903 40.800 -0.261 0.000 1.014 269 D HN 0.685 nan 8.370 nan 0.000 0.510 270 D N 0.222 120.612 120.400 -0.017 0.000 2.552 270 D HA 0.223 4.864 4.640 0.001 0.000 0.239 270 D C 0.864 177.148 176.300 -0.026 0.000 1.139 270 D CA -0.738 53.250 54.000 -0.020 0.000 0.914 270 D CB 1.084 41.882 40.800 -0.003 0.000 1.461 270 D HN 0.058 nan 8.370 nan 0.000 0.462 271 L N 0.372 121.544 121.223 -0.085 0.000 2.478 271 L HA -0.005 4.335 4.340 0.001 0.000 0.223 271 L C 1.637 178.490 176.870 -0.028 0.000 1.140 271 L CA 0.416 55.166 54.840 -0.151 0.000 0.842 271 L CB -0.411 41.340 42.059 -0.512 0.000 0.953 271 L HN 0.414 nan 8.230 nan 0.000 0.452 272 S N 0.247 115.945 115.700 -0.002 0.000 2.368 272 S HA -0.151 4.319 4.470 0.001 0.000 0.224 272 S C 1.935 176.616 174.600 0.135 0.000 1.029 272 S CA 1.221 59.462 58.200 0.069 0.000 0.988 272 S CB -0.043 63.194 63.200 0.061 0.000 0.838 272 S HN 0.400 nan 8.310 nan 0.000 0.462 273 K N 1.001 121.465 120.400 0.107 0.000 2.155 273 K HA -0.001 4.319 4.320 0.001 0.000 0.203 273 K C 2.435 179.127 176.600 0.153 0.000 1.052 273 K CA 0.611 56.973 56.287 0.124 0.000 0.948 273 K CB -0.100 32.454 32.500 0.091 0.000 0.728 273 K HN 0.330 nan 8.250 nan 0.000 0.448 274 Q N 0.776 120.662 119.800 0.143 0.000 2.084 274 Q HA -0.149 4.191 4.340 0.001 0.000 0.202 274 Q C 2.009 178.176 176.000 0.278 0.000 0.978 274 Q CA 1.523 57.432 55.803 0.176 0.000 0.844 274 Q CB -0.055 28.737 28.738 0.091 0.000 0.898 274 Q HN 0.308 nan 8.270 nan 0.000 0.426 275 A N 0.106 123.106 122.820 0.301 0.000 1.933 275 A HA -0.127 4.193 4.320 0.001 0.000 0.218 275 A C 2.243 180.122 177.584 0.492 0.000 1.175 275 A CA 1.453 53.710 52.037 0.367 0.000 0.628 275 A CB -0.733 18.407 19.000 0.235 0.000 0.814 275 A HN 0.293 nan 8.150 nan 0.000 0.444 276 V N -0.135 120.022 119.914 0.405 0.000 2.287 276 V HA -0.288 3.832 4.120 0.001 0.000 0.248 276 V C 3.081 179.293 176.094 0.197 0.000 1.053 276 V CA 2.084 64.555 62.300 0.284 0.000 1.027 276 V CB -1.221 30.721 31.823 0.198 0.000 0.646 276 V HN 0.632 nan 8.190 nan 0.000 0.447 277 A N -0.913 122.040 122.820 0.220 0.000 1.883 277 A HA -0.292 4.028 4.320 0.001 0.000 0.217 277 A C 2.188 179.914 177.584 0.236 0.000 1.186 277 A CA 2.233 54.394 52.037 0.206 0.000 0.624 277 A CB -0.857 18.285 19.000 0.235 0.000 0.822 277 A HN 0.645 nan 8.150 nan 0.000 0.444 278 Y N 0.652 121.073 120.300 0.202 0.000 2.165 278 Y HA -0.230 4.321 4.550 0.000 0.000 0.286 278 Y C 2.483 178.437 175.900 0.089 0.000 1.155 278 Y CA 2.096 60.295 58.100 0.165 0.000 1.164 278 Y CB -0.508 38.123 38.460 0.285 0.000 0.978 278 Y HN 0.361 nan 8.280 nan 0.000 0.513 279 R N 0.296 120.790 120.500 -0.011 0.000 2.081 279 R HA -0.245 4.096 4.340 0.001 0.000 0.235 279 R C 2.473 178.671 176.300 -0.171 0.000 1.131 279 R CA 1.907 57.911 56.100 -0.160 0.000 0.960 279 R CB -0.478 29.751 30.300 -0.119 0.000 0.856 279 R HN 0.599 nan 8.270 nan 0.000 0.436 280 Q N 0.377 120.129 119.800 -0.081 0.000 2.002 280 Q HA -0.262 4.078 4.340 0.001 0.000 0.204 280 Q C 2.208 178.149 176.000 -0.099 0.000 0.988 280 Q CA 2.221 57.981 55.803 -0.071 0.000 0.843 280 Q CB -0.175 28.553 28.738 -0.017 0.000 0.908 280 Q HN 0.449 nan 8.270 nan 0.000 0.420 281 M N -0.245 119.294 119.600 -0.101 0.000 2.073 281 M HA -0.225 4.256 4.480 0.001 0.000 0.258 281 M C 2.408 178.599 176.300 -0.181 0.000 1.070 281 M CA 2.054 57.276 55.300 -0.130 0.000 1.103 281 M CB -0.224 32.291 32.600 -0.143 0.000 1.321 281 M HN 0.280 nan 8.290 nan 0.000 0.405 282 S N 0.144 115.667 115.700 -0.295 0.000 2.368 282 S HA -0.098 4.372 4.470 0.001 0.000 0.225 282 S C 1.724 176.215 174.600 -0.182 0.000 1.030 282 S CA 1.121 59.143 58.200 -0.298 0.000 0.999 282 S CB -0.357 62.518 63.200 -0.543 0.000 0.844 282 S HN 0.516 nan 8.310 nan 0.000 0.459 283 L N 0.767 121.890 121.223 -0.167 0.000 2.093 283 L HA -0.020 4.320 4.340 0.001 0.000 0.208 283 L C 2.178 178.996 176.870 -0.087 0.000 1.085 283 L CA 0.926 55.698 54.840 -0.113 0.000 0.755 283 L CB -0.379 41.615 42.059 -0.108 0.000 0.904 283 L HN 0.331 nan 8.230 nan 0.000 0.435 284 L N -0.825 120.345 121.223 -0.088 0.000 2.313 284 L HA -0.119 4.221 4.340 0.001 0.000 0.214 284 L C 2.019 178.852 176.870 -0.062 0.000 1.119 284 L CA 0.506 55.306 54.840 -0.067 0.000 0.809 284 L CB -0.147 41.874 42.059 -0.063 0.000 0.933 284 L HN 0.252 nan 8.230 nan 0.000 0.449 285 L N -0.118 121.062 121.223 -0.073 0.000 2.610 285 L HA 0.042 4.383 4.340 0.001 0.000 0.232 285 L C 0.687 177.530 176.870 -0.045 0.000 1.149 285 L CA 0.002 54.807 54.840 -0.058 0.000 0.872 285 L CB -0.137 41.882 42.059 -0.065 0.000 0.992 285 L HN 0.277 nan 8.230 nan 0.000 0.447 286 R N -0.794 119.677 120.500 -0.049 0.000 3.951 286 R HA -0.179 4.162 4.340 0.001 0.000 0.352 286 R C -0.021 176.258 176.300 -0.035 0.000 1.178 286 R CA 0.551 56.628 56.100 -0.039 0.000 0.949 286 R CB -2.229 28.055 30.300 -0.027 0.000 1.452 286 R HN 0.400 nan 8.270 nan 0.000 0.540 287 R N 1.785 122.258 120.500 -0.044 0.000 2.370 287 R HA 0.176 4.516 4.340 0.001 0.000 0.309 287 R C -1.971 174.307 176.300 -0.037 0.000 1.059 287 R CA -1.377 54.702 56.100 -0.035 0.000 0.981 287 R CB 0.310 30.586 30.300 -0.041 0.000 0.972 287 R HN -0.088 nan 8.270 nan 0.000 0.437 288 P HA 0.011 nan 4.420 nan 0.000 0.266 288 P C -2.258 175.033 177.300 -0.016 0.000 1.195 288 P CA -0.828 62.261 63.100 -0.018 0.000 0.768 288 P CB 0.124 31.820 31.700 -0.006 0.000 0.838 289 P HA 0.240 nan 4.420 nan 0.000 0.274 289 P C 0.122 177.427 177.300 0.008 0.000 1.231 289 P CA 0.040 63.129 63.100 -0.019 0.000 0.790 289 P CB 0.937 32.614 31.700 -0.039 0.000 0.951 290 G N 0.932 109.755 108.800 0.038 0.000 3.122 290 G HA2 0.376 4.336 3.960 0.001 0.000 0.180 290 G HA3 0.376 4.336 3.960 0.001 0.000 0.180 290 G C -0.655 174.265 174.900 0.034 0.000 1.279 290 G CA -0.973 44.156 45.100 0.048 0.000 0.987 290 G HN 0.497 nan 8.290 nan 0.000 0.589 291 R N 0.526 121.021 120.500 -0.008 0.000 2.494 291 R HA 0.063 4.403 4.340 0.001 0.000 0.291 291 R C 0.111 176.435 176.300 0.041 0.000 0.953 291 R CA 1.007 57.031 56.100 -0.126 0.000 1.098 291 R CB -0.269 29.729 30.300 -0.502 0.000 0.911 291 R HN 0.717 nan 8.270 nan 0.000 0.407 292 E N 2.480 122.700 120.200 0.032 0.000 2.722 292 E HA -0.347 4.003 4.350 0.001 0.000 0.265 292 E C 0.349 176.961 176.600 0.021 0.000 1.081 292 E CA 0.468 56.939 56.400 0.119 0.000 0.781 292 E CB -1.113 28.788 29.700 0.334 0.000 1.372 292 E HN 0.894 nan 8.360 nan 0.000 0.423 293 A N -2.514 120.295 122.820 -0.017 0.000 3.413 293 A HA -0.316 4.005 4.320 0.001 0.000 0.268 293 A C 0.151 177.653 177.584 -0.137 0.000 1.128 293 A CA 1.859 53.835 52.037 -0.102 0.000 1.062 293 A CB -2.021 16.883 19.000 -0.161 0.000 1.121 293 A HN 0.447 nan 8.150 nan 0.000 0.895 294 Y N 0.072 120.413 120.300 0.070 0.000 2.326 294 Y HA 0.451 5.001 4.550 0.000 0.000 0.333 294 Y C -1.518 174.422 175.900 0.067 0.000 1.240 294 Y CA -1.473 56.679 58.100 0.087 0.000 1.365 294 Y CB 0.152 38.732 38.460 0.200 0.000 1.289 294 Y HN 0.153 nan 8.280 nan 0.000 0.548 295 P HA 0.006 nan 4.420 nan 0.000 0.270 295 P C 0.677 178.116 177.300 0.233 0.000 1.223 295 P CA 0.290 63.463 63.100 0.122 0.000 0.785 295 P CB 0.692 32.400 31.700 0.013 0.000 0.923 296 G N 1.626 110.537 108.800 0.185 0.000 2.442 296 G HA2 -0.225 3.736 3.960 0.001 0.000 0.219 296 G HA3 -0.225 3.736 3.960 0.001 0.000 0.219 296 G C 0.617 175.670 174.900 0.255 0.000 1.141 296 G CA 0.742 45.960 45.100 0.197 0.000 0.763 296 G HN 0.641 nan 8.290 nan 0.000 0.554 297 D N 0.628 121.200 120.400 0.287 0.000 2.519 297 D HA 0.094 4.735 4.640 0.001 0.000 0.238 297 D C 1.687 178.190 176.300 0.338 0.000 1.192 297 D CA -0.390 53.812 54.000 0.337 0.000 0.835 297 D CB 0.233 41.250 40.800 0.362 0.000 0.975 297 D HN 0.122 nan 8.370 nan 0.000 0.490 298 V N -0.144 119.963 119.914 0.321 0.000 2.626 298 V HA -0.147 3.974 4.120 0.001 0.000 0.252 298 V C 1.743 177.844 176.094 0.012 0.000 1.067 298 V CA 1.232 63.646 62.300 0.191 0.000 1.081 298 V CB -0.757 31.174 31.823 0.179 0.000 0.686 298 V HN 0.284 nan 8.190 nan 0.000 0.468 299 F N 0.373 120.327 119.950 0.007 0.000 2.075 299 F HA -0.228 4.299 4.527 0.001 0.000 0.297 299 F C 2.174 178.004 175.800 0.050 0.000 1.113 299 F CA 2.447 60.449 58.000 0.004 0.000 1.218 299 F CB -0.892 38.134 39.000 0.044 0.000 0.984 299 F HN 0.344 nan 8.300 nan 0.000 0.472 300 Y N 0.812 120.993 120.300 -0.197 0.000 2.274 300 Y HA -0.183 4.367 4.550 0.001 0.000 0.290 300 Y C 2.177 177.916 175.900 -0.268 0.000 1.145 300 Y CA 1.547 59.483 58.100 -0.273 0.000 1.203 300 Y CB -0.940 37.513 38.460 -0.011 0.000 0.984 300 Y HN 0.272 nan 8.280 nan 0.000 0.533 301 L N -0.118 120.868 121.223 -0.396 0.000 2.021 301 L HA -0.304 4.037 4.340 0.001 0.000 0.215 301 L C 2.113 178.706 176.870 -0.462 0.000 1.074 301 L CA 2.566 57.085 54.840 -0.536 0.000 0.760 301 L CB -0.793 40.878 42.059 -0.647 0.000 0.889 301 L HN 0.377 nan 8.230 nan 0.000 0.433 302 H N -1.884 116.981 119.070 -0.342 0.000 2.465 302 H HA -0.002 4.555 4.556 0.000 0.000 0.289 302 H C 2.402 177.493 175.328 -0.394 0.000 1.022 302 H CA 0.823 56.652 56.048 -0.365 0.000 1.340 302 H CB 0.005 29.588 29.762 -0.298 0.000 1.437 302 H HN 0.546 nan 8.280 nan 0.000 0.539 303 S N 1.802 117.240 115.700 -0.437 0.000 2.356 303 S HA -0.249 4.222 4.470 0.001 0.000 0.223 303 S C 2.128 176.597 174.600 -0.219 0.000 1.032 303 S CA 1.333 59.272 58.200 -0.436 0.000 1.005 303 S CB -0.262 62.441 63.200 -0.829 0.000 0.867 303 S HN 0.567 nan 8.310 nan 0.000 0.449 304 R N 0.705 121.054 120.500 -0.251 0.000 2.148 304 R HA 0.096 4.437 4.340 0.001 0.000 0.227 304 R C 2.323 178.565 176.300 -0.097 0.000 1.103 304 R CA 1.258 57.260 56.100 -0.165 0.000 0.983 304 R CB -0.715 29.361 30.300 -0.372 0.000 0.874 304 R HN 0.477 nan 8.270 nan 0.000 0.451 305 L N 0.935 122.087 121.223 -0.118 0.000 2.044 305 L HA 0.046 4.387 4.340 0.001 0.000 0.205 305 L C 2.014 178.808 176.870 -0.128 0.000 1.075 305 L CA 1.524 56.279 54.840 -0.141 0.000 0.747 305 L CB -0.171 41.635 42.059 -0.422 0.000 0.903 305 L HN 0.214 nan 8.230 nan 0.000 0.435 306 L N -0.672 120.471 121.223 -0.134 0.000 2.395 306 L HA -0.014 4.327 4.340 0.001 0.000 0.218 306 L C 2.362 179.222 176.870 -0.016 0.000 1.130 306 L CA 0.320 55.125 54.840 -0.059 0.000 0.826 306 L CB -0.493 41.522 42.059 -0.073 0.000 0.941 306 L HN 0.310 nan 8.230 nan 0.000 0.451 307 E N 0.607 120.790 120.200 -0.028 0.000 2.268 307 E HA -0.161 4.190 4.350 0.001 0.000 0.195 307 E C 1.962 178.565 176.600 0.006 0.000 0.995 307 E CA 0.758 57.154 56.400 -0.005 0.000 0.836 307 E CB 0.102 29.800 29.700 -0.002 0.000 0.763 307 E HN 0.495 nan 8.360 nan 0.000 0.491 308 R N 0.302 120.809 120.500 0.012 0.000 2.275 308 R HA 0.121 4.461 4.340 0.001 0.000 0.199 308 R C 0.779 177.105 176.300 0.044 0.000 0.989 308 R CA 0.221 56.337 56.100 0.027 0.000 1.016 308 R CB 0.246 30.569 30.300 0.038 0.000 0.918 308 R HN -0.093 nan 8.270 nan 0.000 0.473 309 A N 1.378 124.229 122.820 0.052 0.000 2.354 309 A HA 0.637 4.957 4.320 0.001 0.000 0.281 309 A C -0.206 177.399 177.584 0.035 0.000 1.174 309 A CA -0.031 52.040 52.037 0.056 0.000 0.828 309 A CB 0.353 19.393 19.000 0.067 0.000 1.099 309 A HN 0.285 nan 8.150 nan 0.000 0.516 310 A N 2.470 125.311 122.820 0.035 0.000 2.601 310 A HA 0.710 5.030 4.320 0.001 0.000 0.291 310 A C -0.910 176.693 177.584 0.032 0.000 1.075 310 A CA -0.753 51.296 52.037 0.020 0.000 0.671 310 A CB 1.029 20.028 19.000 -0.001 0.000 1.277 310 A HN 0.876 nan 8.150 nan 0.000 0.417 311 K N 1.193 121.606 120.400 0.022 0.000 2.206 311 K HA 0.689 5.009 4.320 0.001 0.000 0.264 311 K C -0.751 175.861 176.600 0.020 0.000 0.967 311 K CA -0.355 55.956 56.287 0.040 0.000 0.844 311 K CB 0.719 33.238 32.500 0.032 0.000 1.099 311 K HN 0.589 nan 8.250 nan 0.000 0.441 312 M N 3.142 122.765 119.600 0.040 0.000 2.367 312 M HA 0.268 4.749 4.480 0.001 0.000 0.339 312 M C 0.051 176.391 176.300 0.067 0.000 1.177 312 M CA -0.984 54.334 55.300 0.031 0.000 1.068 312 M CB 0.694 33.334 32.600 0.066 0.000 1.602 312 M HN 0.785 nan 8.290 nan 0.000 0.457 313 N N 0.902 119.650 118.700 0.081 0.000 2.347 313 N HA 0.086 4.827 4.740 0.001 0.000 0.253 313 N C 0.121 175.714 175.510 0.139 0.000 1.274 313 N CA -0.203 52.911 53.050 0.107 0.000 0.941 313 N CB 0.503 39.054 38.487 0.106 0.000 1.200 313 N HN 0.425 nan 8.380 nan 0.000 0.514 314 D N -0.482 119.977 120.400 0.099 0.000 2.178 314 D HA -0.106 4.535 4.640 0.001 0.000 0.201 314 D C 1.634 177.971 176.300 0.063 0.000 0.980 314 D CA 1.521 55.565 54.000 0.072 0.000 0.842 314 D CB -0.493 40.334 40.800 0.046 0.000 0.948 314 D HN 0.716 nan 8.370 nan 0.000 0.472 315 A N -0.063 122.806 122.820 0.082 0.000 2.019 315 A HA -0.130 4.191 4.320 0.001 0.000 0.219 315 A C 1.551 179.065 177.584 -0.117 0.000 1.164 315 A CA 0.815 52.848 52.037 -0.008 0.000 0.644 315 A CB -0.633 18.370 19.000 0.005 0.000 0.805 315 A HN 0.158 nan 8.150 nan 0.000 0.449 316 F N -0.998 118.947 119.950 -0.009 0.000 2.660 316 F HA 0.383 4.910 4.527 0.000 0.000 0.302 316 F C 1.747 177.532 175.800 -0.026 0.000 1.103 316 F CA 0.658 58.649 58.000 -0.015 0.000 1.340 316 F CB 0.463 39.457 39.000 -0.010 0.000 1.048 316 F HN 0.359 nan 8.300 nan 0.000 0.551 317 G N -0.586 108.264 108.800 0.084 0.000 2.213 317 G HA2 -0.118 3.842 3.960 0.001 0.000 0.226 317 G HA3 -0.118 3.842 3.960 0.001 0.000 0.226 317 G C 1.224 176.140 174.900 0.026 0.000 0.992 317 G CA -0.151 44.965 45.100 0.026 0.000 0.632 317 G HN 1.002 nan 8.290 nan 0.000 0.511 318 G N -0.498 108.340 108.800 0.065 0.000 2.155 318 G HA2 0.174 4.134 3.960 0.001 0.000 0.257 318 G HA3 0.174 4.134 3.960 0.001 0.000 0.257 318 G C 1.469 176.402 174.900 0.054 0.000 0.983 318 G CA 1.116 46.260 45.100 0.072 0.000 0.676 318 G HN 2.080 nan 8.290 nan 0.000 0.528 319 G N -0.601 108.177 108.800 -0.036 0.000 2.621 319 G HA2 0.750 4.711 3.960 0.001 0.000 0.271 319 G HA3 0.750 4.711 3.960 0.001 0.000 0.271 319 G C 0.283 175.200 174.900 0.029 0.000 1.236 319 G CA 0.907 45.900 45.100 -0.178 0.000 0.958 319 G HN 1.899 nan 8.290 nan 0.000 0.512 320 S N -1.742 114.012 115.700 0.090 0.000 2.547 320 S HA 0.548 5.019 4.470 0.001 0.000 0.270 320 S C -1.668 173.025 174.600 0.155 0.000 1.150 320 S CA -0.794 57.516 58.200 0.183 0.000 0.850 320 S CB 1.818 65.188 63.200 0.283 0.000 1.118 320 S HN 1.124 nan 8.310 nan 0.000 0.461 321 L N 1.891 123.181 121.223 0.111 0.000 2.376 321 L HA 0.772 5.112 4.340 0.001 0.000 0.275 321 L C -0.772 176.140 176.870 0.069 0.000 0.987 321 L CA 0.241 55.141 54.840 0.100 0.000 0.828 321 L CB 1.819 43.937 42.059 0.097 0.000 1.249 321 L HN 0.933 nan 8.230 nan 0.000 0.409 322 T N 4.436 119.020 114.554 0.050 0.000 2.797 322 T HA 0.842 5.193 4.350 0.001 0.000 0.279 322 T C -0.415 174.283 174.700 -0.003 0.000 0.991 322 T CA -0.321 61.792 62.100 0.022 0.000 0.979 322 T CB 1.436 70.309 68.868 0.008 0.000 0.943 322 T HN 0.794 nan 8.240 nan 0.000 0.444 323 A N 3.490 126.311 122.820 0.002 0.000 2.331 323 A HA 0.775 5.095 4.320 0.001 0.000 0.320 323 A C -0.556 177.017 177.584 -0.019 0.000 1.138 323 A CA -0.743 51.281 52.037 -0.021 0.000 0.790 323 A CB 0.581 19.639 19.000 0.098 0.000 1.206 323 A HN 0.866 nan 8.150 nan 0.000 0.470 324 L N 4.692 125.871 121.223 -0.074 0.000 2.445 324 L HA 0.336 4.676 4.340 0.001 0.000 0.252 324 L C -2.315 174.534 176.870 -0.035 0.000 1.105 324 L CA -1.726 53.091 54.840 -0.038 0.000 0.943 324 L CB 1.407 43.444 42.059 -0.035 0.000 1.277 324 L HN 0.506 nan 8.230 nan 0.000 0.465 325 P HA 0.182 nan 4.420 nan 0.000 0.274 325 P C -0.577 176.723 177.300 0.001 0.000 1.237 325 P CA -0.221 62.930 63.100 0.085 0.000 0.793 325 P CB 2.164 33.899 31.700 0.057 0.000 0.977 326 V N 3.209 123.113 119.914 -0.017 0.000 2.604 326 V HA 0.413 4.534 4.120 0.001 0.000 0.305 326 V C 0.251 176.322 176.094 -0.038 0.000 1.043 326 V CA -0.615 61.674 62.300 -0.018 0.000 0.888 326 V CB 1.778 33.596 31.823 -0.008 0.000 0.995 326 V HN 0.419 nan 8.190 nan 0.000 0.429 327 I N 3.192 123.750 120.570 -0.019 0.000 2.545 327 I HA 0.456 4.626 4.170 0.001 0.000 0.292 327 I C -0.104 176.027 176.117 0.023 0.000 1.040 327 I CA -0.452 60.837 61.300 -0.019 0.000 1.068 327 I CB 2.182 40.159 38.000 -0.038 0.000 1.251 327 I HN 0.734 nan 8.210 nan 0.000 0.424 328 E N 4.534 124.752 120.200 0.030 0.000 2.109 328 E HA 0.357 4.707 4.350 0.001 0.000 0.278 328 E C -0.421 176.218 176.600 0.065 0.000 0.954 328 E CA -0.377 56.052 56.400 0.049 0.000 0.779 328 E CB 1.181 30.909 29.700 0.046 0.000 1.093 328 E HN 0.709 nan 8.360 nan 0.000 0.401 329 T N 1.826 116.433 114.554 0.088 0.000 2.847 329 T HA 0.292 4.642 4.350 0.001 0.000 0.279 329 T C 0.037 174.791 174.700 0.091 0.000 0.984 329 T CA -0.927 61.234 62.100 0.102 0.000 0.988 329 T CB 1.300 70.263 68.868 0.158 0.000 1.040 329 T HN 0.317 nan 8.240 nan 0.000 0.528 330 Q N 0.200 120.055 119.800 0.092 0.000 2.333 330 Q HA 0.540 4.880 4.340 0.001 0.000 0.268 330 Q C 0.304 176.354 176.000 0.084 0.000 1.007 330 Q CA -0.242 55.611 55.803 0.082 0.000 0.810 330 Q CB 1.397 30.184 28.738 0.082 0.000 1.264 330 Q HN 1.221 nan 8.270 nan 0.000 0.452 331 A N 2.179 125.046 122.820 0.077 0.000 2.745 331 A HA -0.163 4.157 4.320 0.001 0.000 0.296 331 A C 1.145 178.791 177.584 0.103 0.000 1.500 331 A CA 1.622 53.706 52.037 0.078 0.000 0.766 331 A CB -2.100 16.941 19.000 0.067 0.000 1.030 331 A HN 1.599 nan 8.150 nan 0.000 0.489 332 G N -1.366 107.516 108.800 0.136 0.000 2.184 332 G HA2 -0.219 3.741 3.960 0.001 0.000 0.264 332 G HA3 -0.219 3.741 3.960 0.001 0.000 0.264 332 G C 0.017 175.051 174.900 0.224 0.000 0.975 332 G CA 0.983 46.217 45.100 0.223 0.000 0.642 332 G HN 1.576 nan 8.290 nan 0.000 0.536 333 D N 1.153 121.630 120.400 0.129 0.000 2.508 333 D HA 0.410 5.050 4.640 0.001 0.000 0.224 333 D C 1.991 178.294 176.300 0.005 0.000 1.171 333 D CA 0.323 54.360 54.000 0.061 0.000 1.006 333 D CB 0.280 41.114 40.800 0.058 0.000 1.073 333 D HN 0.431 nan 8.370 nan 0.000 0.513 334 V N 0.882 120.723 119.914 -0.122 0.000 2.867 334 V HA -0.126 3.995 4.120 0.001 0.000 0.260 334 V C 1.991 177.988 176.094 -0.162 0.000 1.099 334 V CA 1.004 63.144 62.300 -0.266 0.000 1.122 334 V CB -0.560 30.820 31.823 -0.739 0.000 0.708 334 V HN 0.294 nan 8.190 nan 0.000 0.490 335 S N -0.040 115.599 115.700 -0.102 0.000 2.603 335 S HA 0.477 4.948 4.470 0.001 0.000 0.220 335 S C 1.256 175.857 174.600 0.002 0.000 0.967 335 S CA 0.361 58.531 58.200 -0.051 0.000 0.920 335 S CB -0.349 62.829 63.200 -0.036 0.000 0.773 335 S HN 0.822 nan 8.310 nan 0.000 0.529 336 A N 0.401 123.233 122.820 0.020 0.000 2.346 336 A HA 0.355 4.676 4.320 0.001 0.000 0.255 336 A C 0.862 178.509 177.584 0.105 0.000 1.113 336 A CA -0.138 51.944 52.037 0.075 0.000 0.798 336 A CB -0.266 18.785 19.000 0.085 0.000 1.073 336 A HN 0.403 nan 8.150 nan 0.000 0.502 337 Y N 0.398 120.707 120.300 0.016 0.000 2.044 337 Y HA -0.228 4.323 4.550 0.001 0.000 0.264 337 Y C 1.881 177.786 175.900 0.008 0.000 1.111 337 Y CA 2.447 60.557 58.100 0.015 0.000 1.088 337 Y CB -0.816 37.664 38.460 0.033 0.000 0.981 337 Y HN 0.466 nan 8.280 nan 0.000 0.478 338 I N 0.621 121.038 120.570 -0.255 0.000 2.194 338 I HA -0.268 3.902 4.170 0.001 0.000 0.246 338 I C -0.752 175.265 176.117 -0.167 0.000 1.093 338 I CA 1.835 62.928 61.300 -0.345 0.000 1.355 338 I CB -1.855 35.981 38.000 -0.275 0.000 1.046 338 I HN 0.270 nan 8.210 nan 0.000 0.413 339 P HA -0.191 nan 4.420 nan 0.000 0.215 339 P C 1.769 179.031 177.300 -0.063 0.000 1.157 339 P CA 2.383 65.449 63.100 -0.057 0.000 0.874 339 P CB -0.396 31.285 31.700 -0.031 0.000 0.790 340 T N -4.015 110.504 114.554 -0.059 0.000 2.915 340 T HA -0.103 4.247 4.350 0.001 0.000 0.269 340 T C 1.713 176.390 174.700 -0.038 0.000 1.071 340 T CA 1.098 63.171 62.100 -0.044 0.000 1.132 340 T CB -1.033 67.823 68.868 -0.021 0.000 0.878 340 T HN -0.045 nan 8.240 nan 0.000 0.479 341 N N 1.504 120.152 118.700 -0.087 0.000 2.043 341 N HA -0.063 4.677 4.740 0.001 0.000 0.193 341 N C 1.944 177.519 175.510 0.108 0.000 1.037 341 N CA 1.439 54.492 53.050 0.005 0.000 0.851 341 N CB -0.791 37.643 38.487 -0.089 0.000 1.027 341 N HN 0.365 nan 8.380 nan 0.000 0.422 342 V N 1.334 121.258 119.914 0.016 0.000 2.453 342 V HA -0.079 4.041 4.120 0.001 0.000 0.247 342 V C 2.224 178.316 176.094 -0.003 0.000 1.048 342 V CA 0.905 63.195 62.300 -0.017 0.000 1.049 342 V CB -0.392 31.361 31.823 -0.116 0.000 0.672 342 V HN 0.239 nan 8.190 nan 0.000 0.457 343 I N 1.500 122.065 120.570 -0.008 0.000 2.286 343 I HA -0.213 3.957 4.170 0.001 0.000 0.248 343 I C 2.475 178.606 176.117 0.024 0.000 1.115 343 I CA 1.921 63.218 61.300 -0.004 0.000 1.392 343 I CB -0.400 37.584 38.000 -0.027 0.000 1.065 343 I HN 0.494 nan 8.210 nan 0.000 0.418 344 S N 0.015 115.746 115.700 0.053 0.000 2.607 344 S HA 0.094 4.565 4.470 0.001 0.000 0.224 344 S C 1.537 176.230 174.600 0.154 0.000 0.969 344 S CA 0.324 58.574 58.200 0.083 0.000 0.927 344 S CB -0.328 62.906 63.200 0.058 0.000 0.772 344 S HN 0.433 nan 8.310 nan 0.000 0.533 345 I N 1.441 122.091 120.570 0.133 0.000 3.194 345 I HA 0.069 4.240 4.170 0.001 0.000 0.271 345 I C 1.330 177.476 176.117 0.047 0.000 1.150 345 I CA 0.522 61.885 61.300 0.104 0.000 1.440 345 I CB -0.228 37.790 38.000 0.030 0.000 1.276 345 I HN 0.333 nan 8.210 nan 0.000 0.457 346 T N -1.324 113.246 114.554 0.026 0.000 2.766 346 T HA 0.067 4.417 4.350 0.001 0.000 0.295 346 T C 0.255 174.967 174.700 0.021 0.000 1.024 346 T CA -0.454 61.656 62.100 0.016 0.000 1.018 346 T CB 0.581 69.453 68.868 0.007 0.000 1.002 346 T HN 0.027 nan 8.240 nan 0.000 0.532 347 D N 1.140 121.551 120.400 0.017 0.000 2.870 347 D HA 0.414 5.055 4.640 0.001 0.000 0.241 347 D C 1.028 177.336 176.300 0.014 0.000 1.234 347 D CA 0.516 54.526 54.000 0.016 0.000 0.844 347 D CB -0.631 40.176 40.800 0.013 0.000 1.051 347 D HN 1.005 nan 8.370 nan 0.000 0.469 348 G N 0.988 109.797 108.800 0.015 0.000 2.371 348 G HA2 0.153 4.114 3.960 0.001 0.000 0.663 348 G HA3 0.153 4.114 3.960 0.001 0.000 0.663 348 G C -1.654 173.258 174.900 0.020 0.000 1.311 348 G CA -0.966 44.144 45.100 0.017 0.000 0.985 348 G HN 0.188 nan 8.290 nan 0.000 0.566 349 Q N -0.879 118.939 119.800 0.030 0.000 2.472 349 Q HA 0.652 4.992 4.340 0.001 0.000 0.281 349 Q C -1.736 174.308 176.000 0.074 0.000 0.997 349 Q CA -0.913 54.918 55.803 0.046 0.000 0.828 349 Q CB 1.739 30.500 28.738 0.039 0.000 1.443 349 Q HN 0.983 nan 8.270 nan 0.000 0.390 350 I N 2.529 123.153 120.570 0.091 0.000 2.390 350 I HA 0.334 4.505 4.170 0.001 0.000 0.283 350 I C -1.001 175.217 176.117 0.169 0.000 1.016 350 I CA -0.739 60.623 61.300 0.103 0.000 1.151 350 I CB 0.975 39.011 38.000 0.059 0.000 1.293 350 I HN 0.498 nan 8.210 nan 0.000 0.458 351 F N 8.224 128.181 119.950 0.011 0.000 2.391 351 F HA 0.555 5.082 4.527 0.001 0.000 0.359 351 F C -0.701 175.110 175.800 0.018 0.000 1.122 351 F CA -0.788 57.219 58.000 0.012 0.000 1.120 351 F CB 0.557 39.566 39.000 0.014 0.000 1.142 351 F HN 0.180 nan 8.300 nan 0.000 0.483 352 L N 5.776 126.740 121.223 -0.433 0.000 2.325 352 L HA 0.546 4.886 4.340 0.001 0.000 0.279 352 L C -0.475 175.971 176.870 -0.706 0.000 1.054 352 L CA -0.678 53.906 54.840 -0.426 0.000 0.804 352 L CB 1.518 43.467 42.059 -0.184 0.000 1.200 352 L HN 0.514 nan 8.230 nan 0.000 0.436 353 E N -0.176 119.754 120.200 -0.449 0.000 2.293 353 E HA 0.218 4.568 4.350 0.001 0.000 0.270 353 E C 0.126 176.643 176.600 -0.140 0.000 0.879 353 E CA -0.395 55.803 56.400 -0.337 0.000 0.756 353 E CB 2.254 31.790 29.700 -0.273 0.000 1.208 353 E HN 0.732 nan 8.360 nan 0.000 0.428 354 T N -1.117 113.374 114.554 -0.104 0.000 2.821 354 T HA -0.196 4.154 4.350 0.001 0.000 0.267 354 T C 1.527 176.276 174.700 0.082 0.000 1.046 354 T CA 1.158 63.213 62.100 -0.075 0.000 1.139 354 T CB 0.011 68.881 68.868 0.003 0.000 0.871 354 T HN 0.501 nan 8.240 nan 0.000 0.454 355 E N 1.072 121.335 120.200 0.104 0.000 2.058 355 E HA -0.128 4.222 4.350 0.001 0.000 0.194 355 E C 2.218 178.887 176.600 0.115 0.000 0.997 355 E CA 1.264 57.749 56.400 0.141 0.000 0.801 355 E CB -0.273 29.483 29.700 0.092 0.000 0.746 355 E HN 0.557 nan 8.360 nan 0.000 0.450 356 L N -0.061 121.194 121.223 0.054 0.000 2.046 356 L HA -0.176 4.164 4.340 0.001 0.000 0.208 356 L C 2.542 179.426 176.870 0.024 0.000 1.077 356 L CA 1.138 55.996 54.840 0.030 0.000 0.747 356 L CB -0.592 41.463 42.059 -0.007 0.000 0.896 356 L HN 0.207 nan 8.230 nan 0.000 0.432 357 F N 0.126 119.982 119.950 -0.157 0.000 2.095 357 F HA -0.313 4.214 4.527 0.000 0.000 0.298 357 F C 2.391 178.052 175.800 -0.232 0.000 1.104 357 F CA 1.749 59.596 58.000 -0.256 0.000 1.232 357 F CB -0.357 38.382 39.000 -0.434 0.000 0.987 357 F HN -0.076 nan 8.300 nan 0.000 0.475 358 Y N -0.071 120.368 120.300 0.232 0.000 2.314 358 Y HA -0.117 4.433 4.550 0.001 0.000 0.293 358 Y C 2.213 178.127 175.900 0.023 0.000 1.129 358 Y CA 0.993 59.172 58.100 0.130 0.000 1.201 358 Y CB -0.339 38.209 38.460 0.146 0.000 0.999 358 Y HN -0.076 nan 8.280 nan 0.000 0.541 359 K N -0.299 120.190 120.400 0.148 0.000 2.519 359 K HA -0.050 4.271 4.320 0.001 0.000 0.196 359 K C 1.477 178.084 176.600 0.011 0.000 1.041 359 K CA 0.813 57.144 56.287 0.073 0.000 0.954 359 K CB -0.267 32.269 32.500 0.059 0.000 0.774 359 K HN 0.526 nan 8.250 nan 0.000 0.480 360 G N 0.875 109.642 108.800 -0.055 0.000 2.194 360 G HA2 -0.199 3.761 3.960 0.001 0.000 0.236 360 G HA3 -0.199 3.761 3.960 0.001 0.000 0.236 360 G C 0.119 174.940 174.900 -0.132 0.000 0.987 360 G CA -0.290 44.742 45.100 -0.113 0.000 0.635 360 G HN 0.141 nan 8.290 nan 0.000 0.520 361 I N 2.299 122.811 120.570 -0.097 0.000 2.577 361 I HA 0.250 4.420 4.170 0.001 0.000 0.299 361 I C 0.826 176.860 176.117 -0.138 0.000 1.157 361 I CA 0.615 61.867 61.300 -0.081 0.000 1.418 361 I CB -0.889 37.093 38.000 -0.030 0.000 1.467 361 I HN 0.184 nan 8.210 nan 0.000 0.624 362 R N 7.491 127.891 120.500 -0.167 0.000 2.483 362 R HA 0.397 4.737 4.340 0.001 0.000 0.303 362 R C -2.534 173.696 176.300 -0.116 0.000 0.987 362 R CA -1.662 54.318 56.100 -0.200 0.000 0.881 362 R CB 2.432 32.505 30.300 -0.379 0.000 1.177 362 R HN 0.238 nan 8.270 nan 0.000 0.451 363 P HA -0.000 nan 4.420 nan 0.000 0.268 363 P C -0.146 177.135 177.300 -0.033 0.000 1.205 363 P CA -0.064 63.011 63.100 -0.043 0.000 0.771 363 P CB 0.962 32.646 31.700 -0.026 0.000 0.858 364 A N 4.564 127.386 122.820 0.004 0.000 2.604 364 A HA 0.122 4.442 4.320 0.001 0.000 0.248 364 A C 0.889 178.443 177.584 -0.051 0.000 1.466 364 A CA -0.295 51.740 52.037 -0.004 0.000 1.222 364 A CB -1.496 17.555 19.000 0.086 0.000 0.945 364 A HN 0.498 nan 8.150 nan 0.000 0.600 365 I N 1.184 121.735 120.570 -0.032 0.000 2.533 365 I HA -0.007 4.163 4.170 0.001 0.000 0.284 365 I C 0.561 176.677 176.117 -0.003 0.000 1.109 365 I CA -0.246 61.042 61.300 -0.020 0.000 1.412 365 I CB 0.383 38.388 38.000 0.008 0.000 1.396 365 I HN 0.321 nan 8.210 nan 0.000 0.543 366 N N 6.519 125.225 118.700 0.010 0.000 2.406 366 N HA 0.096 4.837 4.740 0.001 0.000 0.251 366 N C 0.586 176.164 175.510 0.114 0.000 1.069 366 N CA -0.044 53.055 53.050 0.082 0.000 0.947 366 N CB 1.629 40.221 38.487 0.176 0.000 1.111 366 N HN 0.410 nan 8.380 nan 0.000 0.497 367 V N 3.885 123.850 119.914 0.085 0.000 2.379 367 V HA -0.083 4.037 4.120 0.001 0.000 0.245 367 V C 2.322 178.461 176.094 0.076 0.000 1.044 367 V CA 2.126 64.471 62.300 0.075 0.000 1.036 367 V CB -0.841 31.022 31.823 0.067 0.000 0.664 367 V HN 0.787 nan 8.190 nan 0.000 0.453 368 G N -0.330 108.517 108.800 0.077 0.000 2.442 368 G HA2 -0.199 3.761 3.960 0.001 0.000 0.219 368 G HA3 -0.199 3.761 3.960 0.001 0.000 0.219 368 G C 1.524 176.461 174.900 0.062 0.000 1.141 368 G CA 0.859 45.996 45.100 0.061 0.000 0.763 368 G HN 0.483 nan 8.290 nan 0.000 0.554 369 L N 0.636 121.919 121.223 0.099 0.000 2.416 369 L HA 0.172 4.512 4.340 0.001 0.000 0.216 369 L C 0.897 177.816 176.870 0.081 0.000 1.098 369 L CA -0.147 54.742 54.840 0.081 0.000 0.840 369 L CB 0.057 42.189 42.059 0.121 0.000 0.981 369 L HN 0.037 nan 8.230 nan 0.000 0.462 370 S N 0.399 116.168 115.700 0.115 0.000 2.584 370 S HA 0.479 4.949 4.470 0.001 0.000 0.273 370 S C -0.164 174.468 174.600 0.054 0.000 1.311 370 S CA -0.573 57.684 58.200 0.095 0.000 1.034 370 S CB 1.828 65.088 63.200 0.101 0.000 0.939 370 S HN 0.093 nan 8.310 nan 0.000 0.513 371 V N -0.638 119.301 119.914 0.041 0.000 3.087 371 V HA 0.840 4.961 4.120 0.001 0.000 0.306 371 V C -0.400 175.708 176.094 0.024 0.000 1.187 371 V CA -0.900 61.416 62.300 0.027 0.000 0.999 371 V CB 1.767 33.601 31.823 0.018 0.000 1.049 371 V HN 0.713 nan 8.190 nan 0.000 0.431 372 S N 1.352 117.063 115.700 0.018 0.000 2.475 372 S HA 0.555 5.025 4.470 0.001 0.000 0.298 372 S C 0.555 175.162 174.600 0.010 0.000 1.119 372 S CA -0.781 57.427 58.200 0.014 0.000 1.085 372 S CB 1.518 64.724 63.200 0.011 0.000 1.028 372 S HN 0.824 nan 8.310 nan 0.000 0.489 373 R N 3.120 123.626 120.500 0.010 0.000 2.317 373 R HA 0.170 4.511 4.340 0.001 0.000 0.208 373 R C 0.858 177.161 176.300 0.005 0.000 0.914 373 R CA 0.246 56.351 56.100 0.008 0.000 1.060 373 R CB 0.063 30.369 30.300 0.010 0.000 1.015 373 R HN 0.490 nan 8.270 nan 0.000 0.498 374 V N -0.285 119.631 119.914 0.004 0.000 2.922 374 V HA 0.154 4.274 4.120 0.001 0.000 0.242 374 V C 1.438 177.531 176.094 -0.001 0.000 1.094 374 V CA 1.049 63.349 62.300 -0.000 0.000 1.106 374 V CB 0.074 31.895 31.823 -0.003 0.000 0.799 374 V HN 0.596 nan 8.190 nan 0.000 0.474 375 G N 1.349 110.149 108.800 0.000 0.000 2.574 375 G HA2 -0.412 3.549 3.960 0.001 0.000 0.282 375 G HA3 -0.412 3.549 3.960 0.001 0.000 0.282 375 G C 1.225 176.123 174.900 -0.003 0.000 1.257 375 G CA 1.268 46.368 45.100 0.000 0.000 0.956 375 G HN 0.981 nan 8.290 nan 0.000 0.560 376 S N 0.062 115.761 115.700 -0.002 0.000 2.419 376 S HA 0.110 4.581 4.470 0.001 0.000 0.235 376 S C 2.619 177.215 174.600 -0.008 0.000 1.019 376 S CA 2.078 60.276 58.200 -0.004 0.000 0.982 376 S CB -0.590 62.609 63.200 -0.002 0.000 0.789 376 S HN 2.199 nan 8.310 nan 0.000 0.490 377 A N 0.976 123.791 122.820 -0.008 0.000 2.186 377 A HA 0.369 4.689 4.320 0.001 0.000 0.219 377 A C 2.091 179.663 177.584 -0.020 0.000 1.159 377 A CA 1.394 53.423 52.037 -0.012 0.000 0.680 377 A CB -0.894 18.100 19.000 -0.010 0.000 0.787 377 A HN 1.063 nan 8.150 nan 0.000 0.467 378 A N -1.503 121.305 122.820 -0.020 0.000 2.470 378 A HA 0.397 4.717 4.320 0.001 0.000 0.251 378 A C 0.599 178.164 177.584 -0.032 0.000 1.245 378 A CA -0.263 51.756 52.037 -0.030 0.000 0.932 378 A CB 0.167 19.152 19.000 -0.025 0.000 1.037 378 A HN 0.568 nan 8.150 nan 0.000 0.522 379 Q N 0.486 120.272 119.800 -0.023 0.000 2.301 379 Q HA 0.461 4.802 4.340 0.001 0.000 0.267 379 Q C -0.127 175.860 176.000 -0.020 0.000 1.035 379 Q CA -0.608 55.184 55.803 -0.018 0.000 0.856 379 Q CB 1.584 30.319 28.738 -0.006 0.000 1.337 379 Q HN 0.427 nan 8.270 nan 0.000 0.450 380 T N -1.560 112.983 114.554 -0.018 0.000 2.900 380 T HA 0.074 4.424 4.350 0.001 0.000 0.307 380 T C 0.962 175.659 174.700 -0.004 0.000 1.065 380 T CA -0.473 61.618 62.100 -0.015 0.000 1.105 380 T CB 0.950 69.812 68.868 -0.010 0.000 0.979 380 T HN 0.692 nan 8.240 nan 0.000 0.544 381 R N 1.905 122.403 120.500 -0.004 0.000 2.113 381 R HA -0.139 4.201 4.340 0.001 0.000 0.244 381 R C 2.565 178.873 176.300 0.013 0.000 1.142 381 R CA 2.207 58.309 56.100 0.003 0.000 0.953 381 R CB -1.307 28.994 30.300 0.002 0.000 0.860 381 R HN 0.884 nan 8.270 nan 0.000 0.438 382 A N -0.071 122.758 122.820 0.015 0.000 1.908 382 A HA -0.202 4.118 4.320 0.001 0.000 0.218 382 A C 2.144 179.750 177.584 0.036 0.000 1.181 382 A CA 1.893 53.947 52.037 0.027 0.000 0.627 382 A CB -0.590 18.423 19.000 0.021 0.000 0.818 382 A HN 0.491 nan 8.150 nan 0.000 0.445 383 M N -0.102 119.514 119.600 0.026 0.000 2.200 383 M HA -0.018 4.462 4.480 0.001 0.000 0.265 383 M C 1.900 178.214 176.300 0.023 0.000 1.066 383 M CA 2.080 57.397 55.300 0.028 0.000 1.127 383 M CB -0.487 32.124 32.600 0.019 0.000 1.379 383 M HN 0.407 nan 8.290 nan 0.000 0.420 384 K N -0.425 119.985 120.400 0.016 0.000 2.063 384 K HA -0.225 4.095 4.320 0.001 0.000 0.208 384 K C 1.966 178.576 176.600 0.016 0.000 1.048 384 K CA 1.910 58.204 56.287 0.011 0.000 0.928 384 K CB -0.178 32.326 32.500 0.007 0.000 0.713 384 K HN 0.557 nan 8.250 nan 0.000 0.442 385 Q N -0.010 119.806 119.800 0.026 0.000 2.135 385 Q HA -0.151 4.189 4.340 0.001 0.000 0.204 385 Q C 2.095 178.116 176.000 0.035 0.000 0.981 385 Q CA 1.960 57.784 55.803 0.034 0.000 0.856 385 Q CB -0.003 28.768 28.738 0.054 0.000 0.902 385 Q HN 0.400 nan 8.270 nan 0.000 0.425 386 V N -4.180 115.761 119.914 0.045 0.000 2.992 386 V HA 0.277 4.398 4.120 0.001 0.000 0.250 386 V C 1.538 177.634 176.094 0.003 0.000 1.090 386 V CA 1.071 63.392 62.300 0.034 0.000 1.101 386 V CB 0.126 31.998 31.823 0.081 0.000 0.743 386 V HN 0.187 nan 8.190 nan 0.000 0.468 387 A N 0.535 123.360 122.820 0.008 0.000 2.431 387 A HA 0.540 4.860 4.320 0.001 0.000 0.239 387 A C 2.028 179.609 177.584 -0.004 0.000 1.230 387 A CA 0.656 52.693 52.037 -0.001 0.000 0.928 387 A CB -0.404 18.600 19.000 0.007 0.000 1.006 387 A HN 0.574 nan 8.150 nan 0.000 0.520 388 G N 0.821 109.619 108.800 -0.004 0.000 2.503 388 G HA2 -0.274 3.686 3.960 0.001 0.000 0.221 388 G HA3 -0.274 3.686 3.960 0.001 0.000 0.221 388 G C 1.466 176.361 174.900 -0.008 0.000 1.131 388 G CA 2.078 47.176 45.100 -0.004 0.000 0.756 388 G HN 0.798 nan 8.290 nan 0.000 0.572 389 T N -3.023 111.522 114.554 -0.014 0.000 3.044 389 T HA 0.323 4.674 4.350 0.001 0.000 0.260 389 T C 2.020 176.711 174.700 -0.014 0.000 1.019 389 T CA 0.543 62.635 62.100 -0.014 0.000 0.921 389 T CB 0.173 69.029 68.868 -0.021 0.000 1.053 389 T HN 0.171 nan 8.240 nan 0.000 0.533 390 M N 1.153 120.743 119.600 -0.016 0.000 2.159 390 M HA 0.009 4.489 4.480 0.001 0.000 0.263 390 M C 2.264 178.564 176.300 -0.001 0.000 1.063 390 M CA 1.652 56.942 55.300 -0.018 0.000 1.110 390 M CB -0.153 32.434 32.600 -0.022 0.000 1.374 390 M HN 0.234 nan 8.290 nan 0.000 0.411 391 K N 0.385 120.789 120.400 0.006 0.000 2.002 391 K HA -0.145 4.175 4.320 0.001 0.000 0.209 391 K C 1.742 178.355 176.600 0.023 0.000 1.048 391 K CA 1.655 57.952 56.287 0.017 0.000 0.930 391 K CB -0.301 32.209 32.500 0.016 0.000 0.714 391 K HN 0.402 nan 8.250 nan 0.000 0.438 392 L N 0.733 121.965 121.223 0.015 0.000 2.079 392 L HA -0.196 4.145 4.340 0.001 0.000 0.210 392 L C 2.435 179.319 176.870 0.023 0.000 1.081 392 L CA 1.427 56.276 54.840 0.015 0.000 0.752 392 L CB -0.553 41.510 42.059 0.006 0.000 0.896 392 L HN 0.367 nan 8.230 nan 0.000 0.433 393 E N 0.430 120.641 120.200 0.018 0.000 2.033 393 E HA -0.252 4.098 4.350 0.001 0.000 0.199 393 E C 2.358 179.002 176.600 0.073 0.000 1.011 393 E CA 1.347 57.762 56.400 0.025 0.000 0.815 393 E CB -0.182 29.515 29.700 -0.006 0.000 0.755 393 E HN 0.425 nan 8.360 nan 0.000 0.451 394 L N 0.257 121.525 121.223 0.075 0.000 2.131 394 L HA -0.183 4.157 4.340 0.001 0.000 0.210 394 L C 2.482 179.457 176.870 0.175 0.000 1.092 394 L CA 0.844 55.777 54.840 0.154 0.000 0.759 394 L CB -0.332 41.787 42.059 0.100 0.000 0.903 394 L HN 0.170 nan 8.230 nan 0.000 0.435 395 A N -0.974 121.901 122.820 0.091 0.000 1.898 395 A HA -0.202 4.118 4.320 0.001 0.000 0.216 395 A C 2.241 179.846 177.584 0.035 0.000 1.181 395 A CA 1.206 53.276 52.037 0.054 0.000 0.620 395 A CB -0.293 18.727 19.000 0.034 0.000 0.819 395 A HN 0.363 nan 8.150 nan 0.000 0.442 396 Q N -1.673 118.156 119.800 0.048 0.000 2.123 396 Q HA -0.142 4.198 4.340 0.001 0.000 0.199 396 Q C 1.924 177.954 176.000 0.050 0.000 0.966 396 Q CA 1.600 57.422 55.803 0.031 0.000 0.845 396 Q CB -0.480 28.274 28.738 0.028 0.000 0.907 396 Q HN 0.896 nan 8.270 nan 0.000 0.439 397 Y N 1.497 121.790 120.300 -0.012 0.000 2.145 397 Y HA -0.203 4.347 4.550 0.001 0.000 0.286 397 Y C 2.130 178.027 175.900 -0.004 0.000 1.145 397 Y CA 1.707 59.800 58.100 -0.011 0.000 1.148 397 Y CB -0.182 38.268 38.460 -0.017 0.000 0.981 397 Y HN -0.071 nan 8.280 nan 0.000 0.507 398 R N 0.180 120.430 120.500 -0.417 0.000 2.092 398 R HA -0.135 4.205 4.340 0.001 0.000 0.231 398 R C 2.396 178.535 176.300 -0.268 0.000 1.119 398 R CA 1.207 57.017 56.100 -0.483 0.000 0.970 398 R CB -0.318 29.866 30.300 -0.193 0.000 0.864 398 R HN 0.374 nan 8.270 nan 0.000 0.440 399 E N 0.735 120.849 120.200 -0.143 0.000 2.051 399 E HA -0.148 4.202 4.350 0.001 0.000 0.192 399 E C 1.864 178.428 176.600 -0.061 0.000 0.991 399 E CA 1.426 57.779 56.400 -0.078 0.000 0.799 399 E CB 0.053 29.722 29.700 -0.051 0.000 0.748 399 E HN 0.107 nan 8.360 nan 0.000 0.449 400 V N 1.393 121.265 119.914 -0.069 0.000 2.515 400 V HA -0.186 3.934 4.120 0.001 0.000 0.250 400 V C 2.577 178.637 176.094 -0.056 0.000 1.058 400 V CA 1.506 63.806 62.300 -0.001 0.000 1.064 400 V CB -0.823 31.014 31.823 0.023 0.000 0.675 400 V HN 0.332 nan 8.190 nan 0.000 0.461 401 A N 0.086 122.781 122.820 -0.209 0.000 1.972 401 A HA -0.086 4.235 4.320 0.001 0.000 0.219 401 A C 2.396 179.866 177.584 -0.190 0.000 1.169 401 A CA 2.003 53.895 52.037 -0.242 0.000 0.635 401 A CB -0.560 18.156 19.000 -0.474 0.000 0.810 401 A HN 0.549 nan 8.150 nan 0.000 0.446 402 A N -1.256 121.473 122.820 -0.152 0.000 1.872 402 A HA 0.058 4.379 4.320 0.001 0.000 0.214 402 A C 2.017 179.510 177.584 -0.151 0.000 1.187 402 A CA 1.406 53.376 52.037 -0.112 0.000 0.614 402 A CB -0.694 18.278 19.000 -0.046 0.000 0.826 402 A HN 0.677 nan 8.150 nan 0.000 0.442 403 F N 1.024 120.836 119.950 -0.231 0.000 2.216 403 F HA 0.039 4.567 4.527 0.000 0.000 0.300 403 F C 2.117 177.573 175.800 -0.574 0.000 1.085 403 F CA 1.152 58.989 58.000 -0.272 0.000 1.326 403 F CB -0.084 38.842 39.000 -0.124 0.000 1.027 403 F HN 0.201 nan 8.300 nan 0.000 0.497 404 A N -0.492 122.009 122.820 -0.531 0.000 2.275 404 A HA 0.012 4.332 4.320 0.001 0.000 0.212 404 A C 1.998 179.181 177.584 -0.667 0.000 1.201 404 A CA 0.328 51.996 52.037 -0.614 0.000 0.843 404 A CB -0.758 18.105 19.000 -0.227 0.000 0.873 404 A HN 0.534 nan 8.150 nan 0.000 0.492 405 Q N -0.298 119.087 119.800 -0.691 0.000 2.268 405 Q HA -0.187 4.153 4.340 0.001 0.000 0.210 405 Q C -0.460 175.364 176.000 -0.293 0.000 0.988 405 Q CA 1.087 56.647 55.803 -0.406 0.000 0.883 405 Q CB -0.305 28.270 28.738 -0.271 0.000 0.911 405 Q HN 0.789 nan 8.270 nan 0.000 0.430 406 F N -0.666 119.211 119.950 -0.121 0.000 2.368 406 F HA 0.462 4.989 4.527 0.001 0.000 0.362 406 F C 0.766 176.503 175.800 -0.104 0.000 1.137 406 F CA -1.026 56.911 58.000 -0.105 0.000 1.161 406 F CB 0.173 39.102 39.000 -0.119 0.000 1.265 406 F HN -0.198 nan 8.300 nan 0.000 0.530 407 G N 2.791 111.607 108.800 0.025 0.000 2.577 407 G HA2 0.272 4.233 3.960 0.001 0.000 0.290 407 G HA3 0.272 4.233 3.960 0.001 0.000 0.290 407 G C -0.130 174.782 174.900 0.021 0.000 0.703 407 G CA -0.163 44.933 45.100 -0.006 0.000 2.032 407 G HN 0.817 nan 8.290 nan 0.000 0.508 408 S N 1.396 117.105 115.700 0.015 0.000 2.519 408 S HA 0.423 4.894 4.470 0.001 0.000 0.309 408 S C -0.363 174.245 174.600 0.014 0.000 1.100 408 S CA -1.040 57.179 58.200 0.032 0.000 1.059 408 S CB 1.650 64.896 63.200 0.075 0.000 1.008 408 S HN 0.561 nan 8.310 nan 0.000 0.478 409 D N 2.331 122.742 120.400 0.018 0.000 4.723 409 D HA -0.081 4.559 4.640 0.001 0.000 0.184 409 D C -0.514 175.801 176.300 0.025 0.000 1.137 409 D CA 0.702 54.713 54.000 0.018 0.000 0.724 409 D CB -0.588 40.224 40.800 0.020 0.000 1.242 409 D HN 0.546 nan 8.370 nan 0.000 0.678 410 L N 1.650 122.885 121.223 0.020 0.000 2.334 410 L HA 0.362 4.702 4.340 0.001 0.000 0.276 410 L C 0.563 177.449 176.870 0.027 0.000 1.014 410 L CA -1.505 53.353 54.840 0.030 0.000 0.815 410 L CB 1.295 43.367 42.059 0.022 0.000 1.268 410 L HN 0.396 nan 8.230 nan 0.000 0.428 411 D N 1.660 122.080 120.400 0.034 0.000 2.354 411 D HA 0.042 4.682 4.640 0.001 0.000 0.238 411 D C 0.968 177.278 176.300 0.017 0.000 1.250 411 D CA -0.084 53.931 54.000 0.025 0.000 0.911 411 D CB 0.932 41.748 40.800 0.026 0.000 1.163 411 D HN 0.571 nan 8.370 nan 0.000 0.456 412 A N 0.375 123.201 122.820 0.010 0.000 2.067 412 A HA 0.101 4.421 4.320 0.001 0.000 0.219 412 A C 2.097 179.682 177.584 0.001 0.000 1.158 412 A CA 1.879 53.918 52.037 0.003 0.000 0.661 412 A CB -0.912 18.087 19.000 -0.001 0.000 0.801 412 A HN 0.683 nan 8.150 nan 0.000 0.452 413 A N -0.207 122.616 122.820 0.005 0.000 1.872 413 A HA -0.034 4.286 4.320 0.001 0.000 0.214 413 A C 2.456 180.047 177.584 0.011 0.000 1.187 413 A CA 2.243 54.282 52.037 0.003 0.000 0.614 413 A CB -1.218 17.784 19.000 0.003 0.000 0.826 413 A HN 0.706 nan 8.150 nan 0.000 0.442 414 T N -2.671 111.897 114.554 0.024 0.000 2.857 414 T HA -0.143 4.208 4.350 0.001 0.000 0.266 414 T C 1.956 176.679 174.700 0.038 0.000 1.048 414 T CA 1.447 63.570 62.100 0.039 0.000 1.139 414 T CB -0.347 68.555 68.868 0.056 0.000 0.874 414 T HN 0.490 nan 8.240 nan 0.000 0.455 415 Q N 0.215 120.030 119.800 0.025 0.000 2.170 415 Q HA -0.180 4.160 4.340 0.001 0.000 0.203 415 Q C 2.517 178.521 176.000 0.007 0.000 0.976 415 Q CA 1.513 57.326 55.803 0.017 0.000 0.858 415 Q CB -0.133 28.610 28.738 0.008 0.000 0.907 415 Q HN 0.553 nan 8.270 nan 0.000 0.433 416 Q N 0.284 120.082 119.800 -0.003 0.000 2.083 416 Q HA -0.148 4.192 4.340 0.001 0.000 0.198 416 Q C 1.822 177.806 176.000 -0.026 0.000 0.969 416 Q CA 1.164 56.953 55.803 -0.023 0.000 0.838 416 Q CB -0.412 28.308 28.738 -0.030 0.000 0.900 416 Q HN 0.406 nan 8.270 nan 0.000 0.436 417 L N -0.301 120.923 121.223 0.002 0.000 2.046 417 L HA -0.075 4.266 4.340 0.001 0.000 0.208 417 L C 1.985 178.892 176.870 0.062 0.000 1.077 417 L CA 1.589 56.443 54.840 0.023 0.000 0.747 417 L CB -0.612 41.484 42.059 0.061 0.000 0.896 417 L HN 0.360 nan 8.230 nan 0.000 0.432 418 L N -1.267 120.022 121.223 0.109 0.000 1.994 418 L HA -0.223 4.118 4.340 0.001 0.000 0.208 418 L C 2.536 179.421 176.870 0.025 0.000 1.071 418 L CA 1.626 56.572 54.840 0.177 0.000 0.745 418 L CB -0.778 41.358 42.059 0.129 0.000 0.892 418 L HN 0.200 nan 8.230 nan 0.000 0.431 419 S N -0.703 114.985 115.700 -0.019 0.000 2.359 419 S HA -0.253 4.218 4.470 0.001 0.000 0.224 419 S C 2.061 176.582 174.600 -0.133 0.000 1.035 419 S CA 1.574 59.736 58.200 -0.063 0.000 1.018 419 S CB -0.271 62.897 63.200 -0.054 0.000 0.876 419 S HN 0.254 nan 8.310 nan 0.000 0.448 420 R N 1.318 121.725 120.500 -0.155 0.000 2.066 420 R HA 0.005 4.346 4.340 0.001 0.000 0.232 420 R C 2.354 178.455 176.300 -0.331 0.000 1.131 420 R CA 1.853 57.829 56.100 -0.206 0.000 0.955 420 R CB -1.310 28.886 30.300 -0.173 0.000 0.851 420 R HN 0.359 nan 8.270 nan 0.000 0.432 421 G N -0.318 108.165 108.800 -0.530 0.000 2.446 421 G HA2 -0.230 3.730 3.960 0.001 0.000 0.217 421 G HA3 -0.230 3.730 3.960 0.001 0.000 0.217 421 G C 1.412 175.665 174.900 -1.079 0.000 1.168 421 G CA 1.264 45.643 45.100 -1.203 0.000 0.771 421 G HN 0.256 nan 8.290 nan 0.000 0.551 422 V N 0.423 119.929 119.914 -0.680 0.000 2.490 422 V HA -0.157 3.963 4.120 0.001 0.000 0.250 422 V C 2.840 178.831 176.094 -0.172 0.000 1.061 422 V CA 2.073 64.240 62.300 -0.223 0.000 1.064 422 V CB -0.527 31.279 31.823 -0.029 0.000 0.670 422 V HN 0.278 nan 8.190 nan 0.000 0.461 423 R N -0.344 120.035 120.500 -0.202 0.000 2.075 423 R HA 0.078 4.418 4.340 0.001 0.000 0.226 423 R C 2.288 178.500 176.300 -0.148 0.000 1.114 423 R CA 1.028 57.035 56.100 -0.154 0.000 0.972 423 R CB -0.318 29.885 30.300 -0.161 0.000 0.869 423 R HN 0.406 nan 8.270 nan 0.000 0.437 424 L N -0.089 121.022 121.223 -0.188 0.000 2.083 424 L HA -0.163 4.177 4.340 0.001 0.000 0.209 424 L C 2.157 178.967 176.870 -0.100 0.000 1.083 424 L CA 1.291 56.045 54.840 -0.144 0.000 0.752 424 L CB -0.684 41.276 42.059 -0.165 0.000 0.899 424 L HN 0.236 nan 8.230 nan 0.000 0.433 425 T N -0.800 113.686 114.554 -0.112 0.000 2.759 425 T HA -0.169 4.181 4.350 0.001 0.000 0.269 425 T C 1.757 176.439 174.700 -0.029 0.000 1.042 425 T CA 1.241 63.314 62.100 -0.044 0.000 1.140 425 T CB -0.140 68.724 68.868 -0.006 0.000 0.864 425 T HN 0.312 nan 8.240 nan 0.000 0.455 426 E N 0.931 121.108 120.200 -0.039 0.000 2.208 426 E HA 0.055 4.406 4.350 0.001 0.000 0.193 426 E C 2.226 178.819 176.600 -0.011 0.000 0.988 426 E CA 0.524 56.912 56.400 -0.020 0.000 0.828 426 E CB -0.311 29.378 29.700 -0.020 0.000 0.763 426 E HN 0.481 nan 8.360 nan 0.000 0.478 427 L N 0.197 121.407 121.223 -0.022 0.000 2.217 427 L HA -0.054 4.286 4.340 0.001 0.000 0.211 427 L C 2.208 179.079 176.870 0.002 0.000 1.107 427 L CA 0.508 55.346 54.840 -0.002 0.000 0.783 427 L CB -0.166 41.884 42.059 -0.015 0.000 0.919 427 L HN 0.070 nan 8.230 nan 0.000 0.442 428 L N -0.810 120.408 121.223 -0.009 0.000 2.558 428 L HA 0.014 4.354 4.340 0.001 0.000 0.225 428 L C 0.861 177.724 176.870 -0.012 0.000 1.128 428 L CA 0.123 54.959 54.840 -0.006 0.000 0.868 428 L CB -0.265 41.790 42.059 -0.007 0.000 1.006 428 L HN 0.108 nan 8.230 nan 0.000 0.454 429 K N 1.231 121.622 120.400 -0.015 0.000 2.319 429 K HA 0.213 4.534 4.320 0.001 0.000 0.265 429 K C -0.116 176.470 176.600 -0.023 0.000 1.000 429 K CA 0.366 56.636 56.287 -0.028 0.000 0.943 429 K CB 0.621 33.104 32.500 -0.028 0.000 0.950 429 K HN -0.016 nan 8.250 nan 0.000 0.485 430 Q N 0.132 119.908 119.800 -0.041 0.000 2.468 430 Q HA 0.259 4.599 4.340 0.001 0.000 0.263 430 Q C -0.974 174.988 176.000 -0.063 0.000 0.979 430 Q CA -0.524 55.256 55.803 -0.037 0.000 0.932 430 Q CB 1.603 30.323 28.738 -0.030 0.000 1.462 430 Q HN 0.811 nan 8.270 nan 0.000 0.403 431 G N 1.392 110.159 108.800 -0.055 0.000 2.563 431 G HA2 0.265 4.225 3.960 0.001 0.000 0.283 431 G HA3 0.265 4.225 3.960 0.001 0.000 0.283 431 G C -0.772 174.053 174.900 -0.124 0.000 1.309 431 G CA -0.180 44.874 45.100 -0.076 0.000 1.022 431 G HN 0.573 nan 8.290 nan 0.000 0.501 432 Q N -1.638 118.040 119.800 -0.203 0.000 2.227 432 Q HA 0.406 4.746 4.340 0.001 0.000 0.245 432 Q C -0.523 175.262 176.000 -0.358 0.000 0.926 432 Q CA -0.596 54.921 55.803 -0.476 0.000 0.895 432 Q CB 0.645 28.855 28.738 -0.880 0.000 1.230 432 Q HN 0.651 nan 8.270 nan 0.000 0.450 433 Y N -0.738 119.563 120.300 0.001 0.000 4.907 433 Y HA -0.260 4.291 4.550 0.001 0.000 0.246 433 Y C -0.176 175.718 175.900 -0.010 0.000 0.968 433 Y CA 0.437 58.534 58.100 -0.005 0.000 1.961 433 Y CB -1.665 36.790 38.460 -0.008 0.000 1.487 433 Y HN 0.365 nan 8.280 nan 0.000 0.575 434 S N 0.961 116.705 115.700 0.073 0.000 2.112 434 S HA 0.283 4.753 4.470 0.001 0.000 0.151 434 S C -2.363 172.243 174.600 0.009 0.000 1.723 434 S CA -0.918 57.306 58.200 0.041 0.000 1.263 434 S CB 1.033 64.253 63.200 0.032 0.000 1.194 434 S HN 0.055 nan 8.310 nan 0.000 0.419 435 P HA 0.226 nan 4.420 nan 0.000 0.271 435 P C -0.609 176.684 177.300 -0.012 0.000 1.216 435 P CA -0.208 62.891 63.100 -0.001 0.000 0.776 435 P CB 0.519 32.223 31.700 0.007 0.000 0.881 436 M N 1.836 121.432 119.600 -0.006 0.000 2.264 436 M HA 0.429 4.909 4.480 0.001 0.000 0.352 436 M C 0.660 176.954 176.300 -0.008 0.000 1.173 436 M CA -0.753 54.541 55.300 -0.010 0.000 1.075 436 M CB 1.511 34.112 32.600 0.001 0.000 1.621 436 M HN 0.359 nan 8.290 nan 0.000 0.457 437 A N 2.270 125.074 122.820 -0.027 0.000 2.540 437 A HA 0.035 4.355 4.320 0.001 0.000 0.239 437 A C 1.101 178.693 177.584 0.013 0.000 1.061 437 A CA -0.298 51.728 52.037 -0.017 0.000 0.758 437 A CB -0.050 18.925 19.000 -0.042 0.000 0.991 437 A HN 0.965 nan 8.150 nan 0.000 0.502 438 I N 1.480 122.076 120.570 0.044 0.000 2.145 438 I HA -0.291 3.880 4.170 0.001 0.000 0.244 438 I C 2.524 178.657 176.117 0.026 0.000 1.075 438 I CA 2.653 63.978 61.300 0.042 0.000 1.332 438 I CB -0.366 37.666 38.000 0.053 0.000 1.033 438 I HN 0.873 nan 8.210 nan 0.000 0.410 439 E N 0.495 120.703 120.200 0.014 0.000 2.160 439 E HA -0.287 4.064 4.350 0.001 0.000 0.195 439 E C 1.837 178.436 176.600 -0.002 0.000 0.991 439 E CA 1.909 58.308 56.400 -0.000 0.000 0.810 439 E CB -0.819 28.870 29.700 -0.018 0.000 0.742 439 E HN 0.704 nan 8.360 nan 0.000 0.466 440 E N 0.729 120.924 120.200 -0.008 0.000 2.152 440 E HA -0.122 4.228 4.350 0.001 0.000 0.192 440 E C 2.337 178.961 176.600 0.041 0.000 0.983 440 E CA 0.912 57.308 56.400 -0.007 0.000 0.818 440 E CB -0.029 29.653 29.700 -0.031 0.000 0.758 440 E HN 0.401 nan 8.360 nan 0.000 0.467 441 Q N 0.338 120.162 119.800 0.039 0.000 2.050 441 Q HA -0.145 4.195 4.340 0.001 0.000 0.202 441 Q C 2.412 178.458 176.000 0.076 0.000 0.980 441 Q CA 1.334 57.169 55.803 0.054 0.000 0.840 441 Q CB -0.103 28.659 28.738 0.040 0.000 0.898 441 Q HN 0.144 nan 8.270 nan 0.000 0.424 442 V N 1.182 121.138 119.914 0.069 0.000 2.287 442 V HA -0.333 3.787 4.120 0.001 0.000 0.248 442 V C 2.310 178.492 176.094 0.146 0.000 1.053 442 V CA 1.990 64.344 62.300 0.091 0.000 1.027 442 V CB -1.028 30.832 31.823 0.062 0.000 0.646 442 V HN 0.444 nan 8.190 nan 0.000 0.447 443 A N 0.106 123.008 122.820 0.137 0.000 1.908 443 A HA -0.184 4.137 4.320 0.001 0.000 0.218 443 A C 2.439 180.234 177.584 0.353 0.000 1.181 443 A CA 2.412 54.582 52.037 0.223 0.000 0.627 443 A CB -0.791 18.316 19.000 0.180 0.000 0.818 443 A HN 0.681 nan 8.150 nan 0.000 0.445 444 V N -1.356 118.738 119.914 0.300 0.000 2.453 444 V HA -0.126 3.995 4.120 0.001 0.000 0.247 444 V C 2.077 178.249 176.094 0.129 0.000 1.048 444 V CA 1.654 64.092 62.300 0.231 0.000 1.049 444 V CB -0.712 31.240 31.823 0.214 0.000 0.672 444 V HN 0.403 nan 8.190 nan 0.000 0.457 445 I N -0.002 120.641 120.570 0.122 0.000 2.179 445 I HA -0.177 3.993 4.170 0.001 0.000 0.242 445 I C 2.544 178.707 176.117 0.077 0.000 1.088 445 I CA 2.299 63.642 61.300 0.071 0.000 1.357 445 I CB -1.695 36.340 38.000 0.059 0.000 1.051 445 I HN 0.510 nan 8.210 nan 0.000 0.409 446 Y N 2.359 122.673 120.300 0.024 0.000 2.030 446 Y HA -0.375 4.176 4.550 0.001 0.000 0.272 446 Y C 2.730 178.648 175.900 0.030 0.000 1.185 446 Y CA 2.639 60.760 58.100 0.035 0.000 1.120 446 Y CB -0.455 38.051 38.460 0.076 0.000 0.955 446 Y HN 0.142 nan 8.280 nan 0.000 0.495 447 A N 0.154 123.109 122.820 0.224 0.000 1.927 447 A HA -0.235 4.086 4.320 0.001 0.000 0.220 447 A C 2.452 179.984 177.584 -0.087 0.000 1.185 447 A CA 2.257 54.354 52.037 0.100 0.000 0.639 447 A CB -1.837 17.112 19.000 -0.084 0.000 0.820 447 A HN 0.688 nan 8.150 nan 0.000 0.451 448 G N -0.465 108.265 108.800 -0.117 0.000 2.434 448 G HA2 -0.097 3.864 3.960 0.001 0.000 0.214 448 G HA3 -0.097 3.864 3.960 0.001 0.000 0.214 448 G C 1.618 176.388 174.900 -0.217 0.000 1.202 448 G CA 2.037 47.037 45.100 -0.166 0.000 0.788 448 G HN 1.088 nan 8.290 nan 0.000 0.539 449 V N -1.342 118.449 119.914 -0.206 0.000 2.720 449 V HA 0.050 4.170 4.120 0.001 0.000 0.256 449 V C 2.327 178.225 176.094 -0.326 0.000 1.082 449 V CA 1.496 63.661 62.300 -0.224 0.000 1.101 449 V CB -0.470 31.256 31.823 -0.162 0.000 0.693 449 V HN 0.148 nan 8.190 nan 0.000 0.479 450 R N 0.981 121.186 120.500 -0.492 0.000 2.297 450 R HA 0.296 4.636 4.340 0.001 0.000 0.197 450 R C 1.869 177.679 176.300 -0.816 0.000 0.943 450 R CA 0.744 56.422 56.100 -0.703 0.000 1.038 450 R CB -0.119 29.575 30.300 -1.010 0.000 0.957 450 R HN 0.858 nan 8.270 nan 0.000 0.484 451 G N 0.242 108.693 108.800 -0.581 0.000 2.175 451 G HA2 -0.321 3.639 3.960 0.001 0.000 0.244 451 G HA3 -0.321 3.639 3.960 0.001 0.000 0.244 451 G C 0.686 175.371 174.900 -0.357 0.000 0.982 451 G CA 0.144 44.986 45.100 -0.430 0.000 0.641 451 G HN 0.436 nan 8.290 nan 0.000 0.527 452 Y N 0.234 120.432 120.300 -0.171 0.000 2.497 452 Y HA 0.201 4.751 4.550 0.001 0.000 0.292 452 Y C 2.457 178.240 175.900 -0.195 0.000 1.137 452 Y CA 1.132 59.144 58.100 -0.147 0.000 1.285 452 Y CB 0.046 38.438 38.460 -0.114 0.000 0.991 452 Y HN 0.366 nan 8.280 nan 0.000 0.556 453 L N -0.942 120.200 121.223 -0.136 0.000 2.808 453 L HA 0.133 4.473 4.340 0.001 0.000 0.246 453 L C 0.607 177.377 176.870 -0.167 0.000 1.153 453 L CA -0.131 54.568 54.840 -0.234 0.000 0.956 453 L CB 0.044 41.879 42.059 -0.374 0.000 1.270 453 L HN -0.010 nan 8.230 nan 0.000 0.528 454 D N 1.086 121.406 120.400 -0.133 0.000 2.309 454 D HA -0.118 4.522 4.640 0.001 0.000 0.212 454 D C 1.811 178.064 176.300 -0.079 0.000 0.968 454 D CA 1.060 54.993 54.000 -0.113 0.000 0.882 454 D CB 0.259 40.992 40.800 -0.112 0.000 0.918 454 D HN 0.174 nan 8.370 nan 0.000 0.503 455 K N -0.353 120.009 120.400 -0.064 0.000 2.360 455 K HA 0.119 4.439 4.320 0.001 0.000 0.196 455 K C 0.559 177.139 176.600 -0.034 0.000 1.049 455 K CA -0.425 55.840 56.287 -0.038 0.000 1.049 455 K CB 0.535 33.024 32.500 -0.019 0.000 0.881 455 K HN 0.121 nan 8.250 nan 0.000 0.542 456 L N 2.791 123.979 121.223 -0.059 0.000 2.416 456 L HA 0.095 4.435 4.340 0.001 0.000 0.272 456 L C 0.323 177.175 176.870 -0.031 0.000 1.161 456 L CA 0.092 54.906 54.840 -0.043 0.000 0.845 456 L CB 0.418 42.406 42.059 -0.119 0.000 1.119 456 L HN 0.072 nan 8.230 nan 0.000 0.464 457 E N 6.532 126.737 120.200 0.009 0.000 2.415 457 E HA 0.014 4.364 4.350 0.001 0.000 0.260 457 E C -1.697 174.910 176.600 0.011 0.000 1.016 457 E CA -1.274 55.133 56.400 0.011 0.000 0.924 457 E CB 0.993 30.709 29.700 0.027 0.000 0.961 457 E HN 0.559 nan 8.360 nan 0.000 0.459 458 P HA -0.245 nan 4.420 nan 0.000 0.218 458 P C 1.061 178.370 177.300 0.016 0.000 1.154 458 P CA 1.705 64.799 63.100 -0.009 0.000 0.872 458 P CB 0.112 31.807 31.700 -0.008 0.000 0.790 459 S N -1.813 113.904 115.700 0.030 0.000 2.603 459 S HA 0.011 4.481 4.470 0.001 0.000 0.229 459 S C 1.431 176.076 174.600 0.076 0.000 0.972 459 S CA 0.633 58.859 58.200 0.044 0.000 0.935 459 S CB -0.648 62.574 63.200 0.037 0.000 0.769 459 S HN 0.256 nan 8.310 nan 0.000 0.536 460 K N 0.410 120.871 120.400 0.101 0.000 2.354 460 K HA 0.323 4.644 4.320 0.001 0.000 0.194 460 K C 1.363 178.088 176.600 0.208 0.000 1.045 460 K CA -0.078 56.325 56.287 0.193 0.000 1.026 460 K CB 0.019 32.678 32.500 0.266 0.000 0.866 460 K HN 0.283 nan 8.250 nan 0.000 0.530 461 I N 1.756 122.387 120.570 0.102 0.000 2.194 461 I HA -0.281 3.889 4.170 0.001 0.000 0.246 461 I C 1.925 178.130 176.117 0.145 0.000 1.093 461 I CA 1.720 63.059 61.300 0.066 0.000 1.355 461 I CB -1.392 36.599 38.000 -0.014 0.000 1.046 461 I HN 0.151 nan 8.210 nan 0.000 0.413 462 T N 0.777 115.403 114.554 0.120 0.000 2.674 462 T HA -0.222 4.129 4.350 0.001 0.000 0.265 462 T C 2.017 176.806 174.700 0.148 0.000 1.039 462 T CA 1.544 63.712 62.100 0.113 0.000 1.150 462 T CB -0.210 68.704 68.868 0.077 0.000 0.864 462 T HN 0.300 nan 8.240 nan 0.000 0.427 463 K N 0.076 120.594 120.400 0.197 0.000 2.103 463 K HA -0.120 4.200 4.320 0.001 0.000 0.207 463 K C 2.135 178.876 176.600 0.235 0.000 1.048 463 K CA 1.251 57.691 56.287 0.255 0.000 0.930 463 K CB -0.344 32.367 32.500 0.352 0.000 0.716 463 K HN 0.367 nan 8.250 nan 0.000 0.444 464 F N 2.124 122.047 119.950 -0.046 0.000 2.069 464 F HA -0.238 4.289 4.527 0.001 0.000 0.298 464 F C 2.350 178.072 175.800 -0.129 0.000 1.113 464 F CA 2.139 59.843 58.000 -0.494 0.000 1.214 464 F CB -0.287 38.378 39.000 -0.558 0.000 0.978 464 F HN 0.170 nan 8.300 nan 0.000 0.474 465 E N 0.173 120.459 120.200 0.144 0.000 2.058 465 E HA -0.269 4.082 4.350 0.001 0.000 0.194 465 E C 1.885 178.497 176.600 0.021 0.000 0.997 465 E CA 1.670 58.146 56.400 0.127 0.000 0.801 465 E CB -0.239 29.565 29.700 0.174 0.000 0.746 465 E HN 0.461 nan 8.360 nan 0.000 0.450 466 N N 0.573 119.287 118.700 0.024 0.000 2.188 466 N HA -0.123 4.617 4.740 0.001 0.000 0.184 466 N C 1.692 177.193 175.510 -0.016 0.000 1.018 466 N CA 1.243 54.299 53.050 0.010 0.000 0.858 466 N CB -0.508 38.005 38.487 0.043 0.000 0.989 466 N HN 0.252 nan 8.380 nan 0.000 0.426 467 A N 1.104 123.928 122.820 0.006 0.000 1.858 467 A HA -0.145 4.175 4.320 0.001 0.000 0.216 467 A C 2.129 179.661 177.584 -0.087 0.000 1.190 467 A CA 1.139 53.230 52.037 0.090 0.000 0.617 467 A CB -1.085 18.075 19.000 0.266 0.000 0.827 467 A HN 0.279 nan 8.150 nan 0.000 0.443 468 F N 0.170 119.755 119.950 -0.608 0.000 2.069 468 F HA -0.183 4.345 4.527 0.001 0.000 0.298 468 F C 1.848 177.312 175.800 -0.559 0.000 1.113 468 F CA 1.849 59.215 58.000 -1.056 0.000 1.214 468 F CB -0.474 37.781 39.000 -1.241 0.000 0.978 468 F HN 0.165 nan 8.300 nan 0.000 0.474 469 L N 0.701 121.640 121.223 -0.474 0.000 2.012 469 L HA -0.206 4.135 4.340 0.001 0.000 0.210 469 L C 2.847 179.506 176.870 -0.352 0.000 1.073 469 L CA 2.275 56.857 54.840 -0.430 0.000 0.748 469 L CB -1.356 40.611 42.059 -0.153 0.000 0.891 469 L HN 0.433 nan 8.230 nan 0.000 0.431 470 S N -2.450 113.120 115.700 -0.216 0.000 2.423 470 S HA -0.244 4.226 4.470 0.001 0.000 0.231 470 S C 2.033 176.559 174.600 -0.125 0.000 1.014 470 S CA 0.997 59.119 58.200 -0.129 0.000 0.965 470 S CB -0.806 62.368 63.200 -0.043 0.000 0.785 470 S HN 0.636 nan 8.310 nan 0.000 0.495 471 H N 2.540 121.430 119.070 -0.300 0.000 2.321 471 H HA -0.017 4.540 4.556 0.001 0.000 0.300 471 H C 2.096 177.268 175.328 -0.260 0.000 1.087 471 H CA 2.205 58.094 56.048 -0.265 0.000 1.319 471 H CB -0.574 28.923 29.762 -0.442 0.000 1.379 471 H HN 0.336 nan 8.280 nan 0.000 0.501 472 V N -1.331 118.227 119.914 -0.594 0.000 2.719 472 V HA -0.037 4.084 4.120 0.001 0.000 0.252 472 V C 2.392 178.300 176.094 -0.310 0.000 1.065 472 V CA 1.550 63.536 62.300 -0.524 0.000 1.086 472 V CB -0.704 30.697 31.823 -0.704 0.000 0.700 472 V HN 0.394 nan 8.190 nan 0.000 0.467 473 I N 2.182 122.586 120.570 -0.276 0.000 2.252 473 I HA -0.161 4.009 4.170 0.001 0.000 0.245 473 I C 2.834 178.860 176.117 -0.152 0.000 1.102 473 I CA 1.866 63.056 61.300 -0.183 0.000 1.385 473 I CB -0.235 37.675 38.000 -0.151 0.000 1.064 473 I HN 0.565 nan 8.210 nan 0.000 0.414 474 S N -0.261 115.347 115.700 -0.154 0.000 2.356 474 S HA -0.149 4.321 4.470 0.001 0.000 0.219 474 S C 1.966 176.461 174.600 -0.175 0.000 1.036 474 S CA 0.431 58.554 58.200 -0.127 0.000 0.965 474 S CB -0.404 62.747 63.200 -0.081 0.000 0.864 474 S HN 0.282 nan 8.310 nan 0.000 0.471 475 Q N 0.809 120.457 119.800 -0.253 0.000 2.123 475 Q HA 0.069 4.410 4.340 0.001 0.000 0.199 475 Q C 0.326 175.976 176.000 -0.583 0.000 0.966 475 Q CA 1.331 56.889 55.803 -0.408 0.000 0.845 475 Q CB -0.009 28.420 28.738 -0.515 0.000 0.907 475 Q HN 0.821 nan 8.270 nan 0.000 0.439 476 H N -1.119 117.784 119.070 -0.279 0.000 2.534 476 H HA 0.185 4.741 4.556 0.001 0.000 0.250 476 H C 0.244 175.462 175.328 -0.183 0.000 1.256 476 H CA -0.244 55.668 56.048 -0.227 0.000 1.000 476 H CB 0.667 30.265 29.762 -0.273 0.000 1.801 476 H HN 0.071 nan 8.280 nan 0.000 0.569 477 Q N 1.008 120.750 119.800 -0.098 0.000 2.291 477 Q HA -0.049 4.292 4.340 0.001 0.000 0.206 477 Q C 2.027 177.992 176.000 -0.059 0.000 0.976 477 Q CA 1.373 57.127 55.803 -0.082 0.000 0.875 477 Q CB 0.031 28.717 28.738 -0.086 0.000 0.927 477 Q HN 0.643 nan 8.270 nan 0.000 0.450 478 A N -0.216 122.573 122.820 -0.051 0.000 1.897 478 A HA -0.089 4.231 4.320 0.001 0.000 0.215 478 A C 1.998 179.568 177.584 -0.022 0.000 1.181 478 A CA 1.013 53.029 52.037 -0.035 0.000 0.620 478 A CB -0.603 18.377 19.000 -0.034 0.000 0.821 478 A HN 0.471 nan 8.150 nan 0.000 0.443 479 L N -0.387 120.831 121.223 -0.008 0.000 2.005 479 L HA -0.115 4.225 4.340 0.001 0.000 0.207 479 L C 2.512 179.350 176.870 -0.054 0.000 1.072 479 L CA 1.367 56.189 54.840 -0.031 0.000 0.744 479 L CB -0.379 41.649 42.059 -0.052 0.000 0.895 479 L HN 0.416 nan 8.230 nan 0.000 0.433 480 L N -0.184 121.001 121.223 -0.062 0.000 2.012 480 L HA -0.233 4.108 4.340 0.001 0.000 0.210 480 L C 3.067 179.909 176.870 -0.047 0.000 1.073 480 L CA 1.475 56.276 54.840 -0.065 0.000 0.748 480 L CB -1.175 40.835 42.059 -0.081 0.000 0.891 480 L HN 0.416 nan 8.230 nan 0.000 0.431 481 S N 0.484 116.158 115.700 -0.043 0.000 2.372 481 S HA -0.331 4.139 4.470 0.001 0.000 0.227 481 S C 2.149 176.733 174.600 -0.026 0.000 1.044 481 S CA 2.465 60.646 58.200 -0.033 0.000 1.050 481 S CB -0.411 nan 63.200 nan 0.000 0.901 481 S HN 0.191 nan 8.310 nan 0.000 0.447 482 K N 0.498 120.882 120.400 -0.028 0.000 2.062 482 K HA 0.189 4.510 4.320 0.001 0.000 0.205 482 K C 1.803 178.390 176.600 -0.022 0.000 1.051 482 K CA 0.969 57.242 56.287 -0.023 0.000 0.941 482 K CB -0.350 32.136 32.500 -0.023 0.000 0.719 482 K HN 0.564 nan 8.250 nan 0.000 0.440 483 I N 0.231 120.784 120.570 -0.029 0.000 2.226 483 I HA -0.284 3.886 4.170 0.001 0.000 0.245 483 I C 2.562 178.671 176.117 -0.014 0.000 1.100 483 I CA 1.217 62.502 61.300 -0.024 0.000 1.374 483 I CB -0.231 37.748 38.000 -0.035 0.000 1.057 483 I HN 0.183 nan 8.210 nan 0.000 0.413 484 R N 0.499 120.991 120.500 -0.014 0.000 2.073 484 R HA -0.150 4.191 4.340 0.001 0.000 0.234 484 R C 2.252 178.551 176.300 -0.001 0.000 1.134 484 R CA 2.117 58.215 56.100 -0.003 0.000 0.952 484 R CB -0.254 30.044 30.300 -0.004 0.000 0.850 484 R HN 0.252 nan 8.270 nan 0.000 0.433 485 T N 0.825 115.375 114.554 -0.007 0.000 2.770 485 T HA -0.071 4.280 4.350 0.001 0.000 0.263 485 T C 1.058 175.753 174.700 -0.008 0.000 1.039 485 T CA 1.441 63.537 62.100 -0.007 0.000 1.142 485 T CB -0.250 68.612 68.868 -0.010 0.000 0.868 485 T HN 0.300 nan 8.240 nan 0.000 0.435 486 D N 0.496 120.891 120.400 -0.009 0.000 2.269 486 D HA 0.114 4.754 4.640 0.001 0.000 0.208 486 D C 1.786 178.082 176.300 -0.007 0.000 0.963 486 D CA 0.983 54.978 54.000 -0.008 0.000 0.864 486 D CB -0.586 40.209 40.800 -0.008 0.000 0.936 486 D HN 0.504 nan 8.370 nan 0.000 0.505 487 G N 1.124 109.920 108.800 -0.007 0.000 2.166 487 G HA2 -0.333 3.628 3.960 0.001 0.000 0.260 487 G HA3 -0.333 3.628 3.960 0.001 0.000 0.260 487 G C 0.263 175.162 174.900 -0.001 0.000 0.986 487 G CA 1.111 46.208 45.100 -0.006 0.000 0.683 487 G HN 0.557 nan 8.290 nan 0.000 0.527 488 K N -1.222 119.178 120.400 -0.000 0.000 2.509 488 K HA 0.780 5.100 4.320 0.001 0.000 0.266 488 K C -0.693 175.910 176.600 0.004 0.000 0.987 488 K CA -1.474 54.816 56.287 0.006 0.000 0.868 488 K CB 1.544 34.047 32.500 0.005 0.000 1.421 488 K HN 0.086 nan 8.250 nan 0.000 0.444 489 I N 2.994 123.573 120.570 0.015 0.000 2.310 489 I HA 0.096 4.266 4.170 0.001 0.000 0.287 489 I C 0.181 176.308 176.117 0.017 0.000 1.073 489 I CA -0.565 60.742 61.300 0.011 0.000 1.216 489 I CB 1.248 39.270 38.000 0.036 0.000 1.415 489 I HN 0.761 nan 8.210 nan 0.000 0.480 490 S N 3.442 119.145 115.700 0.005 0.000 2.589 490 S HA 0.153 4.623 4.470 0.001 0.000 0.265 490 S C 1.003 175.612 174.600 0.016 0.000 1.342 490 S CA -0.516 57.689 58.200 0.009 0.000 1.005 490 S CB 1.075 64.275 63.200 0.002 0.000 0.909 490 S HN 0.635 nan 8.310 nan 0.000 0.555 491 E N 0.459 120.672 120.200 0.020 0.000 2.160 491 E HA -0.221 4.129 4.350 0.001 0.000 0.195 491 E C 1.934 178.547 176.600 0.021 0.000 0.991 491 E CA 1.451 57.867 56.400 0.028 0.000 0.810 491 E CB -0.124 29.591 29.700 0.025 0.000 0.742 491 E HN 0.870 nan 8.360 nan 0.000 0.466 492 E N 0.397 120.603 120.200 0.009 0.000 2.047 492 E HA -0.141 4.209 4.350 0.001 0.000 0.191 492 E C 1.992 178.585 176.600 -0.012 0.000 0.987 492 E CA 1.161 57.563 56.400 0.002 0.000 0.799 492 E CB 0.137 29.837 29.700 -0.000 0.000 0.752 492 E HN 0.027 nan 8.360 nan 0.000 0.449 493 S N 0.713 116.399 115.700 -0.023 0.000 2.402 493 S HA -0.166 4.304 4.470 0.001 0.000 0.229 493 S C 1.488 176.036 174.600 -0.087 0.000 1.021 493 S CA 1.231 59.397 58.200 -0.057 0.000 0.974 493 S CB -0.297 62.869 63.200 -0.058 0.000 0.800 493 S HN 0.369 nan 8.310 nan 0.000 0.484 494 D N 1.838 122.219 120.400 -0.032 0.000 2.084 494 D HA -0.059 4.581 4.640 0.001 0.000 0.194 494 D C 2.052 178.371 176.300 0.032 0.000 0.990 494 D CA 1.499 55.508 54.000 0.015 0.000 0.826 494 D CB -0.436 40.433 40.800 0.114 0.000 0.971 494 D HN 0.273 nan 8.370 nan 0.000 0.453 495 A N 0.453 123.294 122.820 0.034 0.000 1.883 495 A HA -0.229 4.092 4.320 0.001 0.000 0.217 495 A C 2.219 179.799 177.584 -0.007 0.000 1.186 495 A CA 2.053 54.109 52.037 0.033 0.000 0.624 495 A CB -0.668 18.349 19.000 0.028 0.000 0.822 495 A HN 0.252 nan 8.150 nan 0.000 0.444 496 K N -0.689 119.688 120.400 -0.037 0.000 2.044 496 K HA -0.098 4.223 4.320 0.001 0.000 0.210 496 K C 1.927 178.451 176.600 -0.128 0.000 1.049 496 K CA 1.556 57.801 56.287 -0.070 0.000 0.927 496 K CB -0.351 32.106 32.500 -0.071 0.000 0.713 496 K HN 0.489 nan 8.250 nan 0.000 0.443 497 L N 0.774 121.883 121.223 -0.190 0.000 2.017 497 L HA -0.225 4.116 4.340 0.001 0.000 0.208 497 L C 2.558 179.349 176.870 -0.131 0.000 1.073 497 L CA 1.354 56.023 54.840 -0.284 0.000 0.745 497 L CB -0.325 41.296 42.059 -0.731 0.000 0.894 497 L HN 0.206 nan 8.230 nan 0.000 0.432 498 K N 0.309 120.695 120.400 -0.023 0.000 2.063 498 K HA -0.283 4.037 4.320 0.001 0.000 0.208 498 K C 2.013 178.529 176.600 -0.139 0.000 1.048 498 K CA 1.933 58.197 56.287 -0.038 0.000 0.928 498 K CB -0.070 32.485 32.500 0.092 0.000 0.713 498 K HN 0.271 nan 8.250 nan 0.000 0.442 499 E N 0.462 120.626 120.200 -0.060 0.000 2.051 499 E HA -0.198 4.153 4.350 0.001 0.000 0.192 499 E C 1.992 178.594 176.600 0.002 0.000 0.991 499 E CA 1.490 57.874 56.400 -0.028 0.000 0.799 499 E CB -0.082 29.615 29.700 -0.005 0.000 0.748 499 E HN 0.377 nan 8.360 nan 0.000 0.449 500 I N 0.767 121.330 120.570 -0.011 0.000 2.090 500 I HA -0.265 3.905 4.170 0.001 0.000 0.236 500 I C 2.698 178.930 176.117 0.192 0.000 1.064 500 I CA 1.406 62.746 61.300 0.066 0.000 1.324 500 I CB -0.557 37.389 38.000 -0.089 0.000 1.044 500 I HN 0.184 nan 8.210 nan 0.000 0.399 501 V N -0.480 119.519 119.914 0.141 0.000 2.407 501 V HA -0.237 3.883 4.120 0.001 0.000 0.248 501 V C 2.510 178.675 176.094 0.118 0.000 1.055 501 V CA 2.316 64.710 62.300 0.157 0.000 1.049 501 V CB -1.654 30.167 31.823 -0.004 0.000 0.662 501 V HN 0.641 nan 8.190 nan 0.000 0.455 502 T N -1.095 113.415 114.554 -0.073 0.000 2.701 502 T HA -0.179 4.172 4.350 0.001 0.000 0.263 502 T C 1.904 176.641 174.700 0.061 0.000 1.040 502 T CA 1.755 63.814 62.100 -0.069 0.000 1.147 502 T CB -0.860 67.902 68.868 -0.177 0.000 0.865 502 T HN 0.525 nan 8.240 nan 0.000 0.426 503 N N 0.610 119.359 118.700 0.083 0.000 2.188 503 N HA 0.016 4.757 4.740 0.001 0.000 0.184 503 N C 1.568 177.167 175.510 0.147 0.000 1.018 503 N CA 0.960 54.072 53.050 0.102 0.000 0.858 503 N CB -0.511 38.033 38.487 0.095 0.000 0.989 503 N HN 0.419 nan 8.380 nan 0.000 0.426 504 F N 2.283 122.286 119.950 0.087 0.000 2.095 504 F HA -0.102 4.425 4.527 0.001 0.000 0.298 504 F C 2.318 178.233 175.800 0.191 0.000 1.104 504 F CA 0.999 59.057 58.000 0.096 0.000 1.232 504 F CB -0.370 38.709 39.000 0.131 0.000 0.987 504 F HN -0.040 nan 8.300 nan 0.000 0.475 505 L N -0.099 121.368 121.223 0.406 0.000 2.042 505 L HA -0.232 4.109 4.340 0.001 0.000 0.210 505 L C 2.554 179.559 176.870 0.225 0.000 1.076 505 L CA 1.827 56.905 54.840 0.398 0.000 0.749 505 L CB -1.121 41.096 42.059 0.264 0.000 0.893 505 L HN 0.331 nan 8.230 nan 0.000 0.432 506 A N -0.084 122.811 122.820 0.124 0.000 1.865 506 A HA -0.187 4.133 4.320 0.001 0.000 0.217 506 A C 2.331 179.928 177.584 0.023 0.000 1.191 506 A CA 1.833 53.909 52.037 0.066 0.000 0.623 506 A CB -1.426 17.600 19.000 0.043 0.000 0.826 506 A HN 0.516 nan 8.150 nan 0.000 0.444 507 G N -1.409 107.372 108.800 -0.032 0.000 2.469 507 G HA2 -0.286 3.675 3.960 0.001 0.000 0.219 507 G HA3 -0.286 3.675 3.960 0.001 0.000 0.219 507 G C 1.489 176.320 174.900 -0.115 0.000 1.150 507 G CA 1.233 46.270 45.100 -0.106 0.000 0.763 507 G HN 0.506 nan 8.290 nan 0.000 0.561 508 F N 1.411 121.189 119.950 -0.287 0.000 2.171 508 F HA 0.016 4.543 4.527 0.000 0.000 0.300 508 F C 2.474 178.239 175.800 -0.059 0.000 1.090 508 F CA 1.647 59.527 58.000 -0.200 0.000 1.293 508 F CB 0.128 39.058 39.000 -0.118 0.000 1.013 508 F HN 0.202 nan 8.300 nan 0.000 0.486 509 E N 0.524 120.760 120.200 0.060 0.000 2.489 509 E HA 0.141 4.492 4.350 0.001 0.000 0.193 509 E C 0.951 177.512 176.600 -0.065 0.000 1.057 509 E CA 0.123 56.524 56.400 0.001 0.000 0.866 509 E CB -0.029 29.723 29.700 0.086 0.000 0.916 509 E HN 0.376 nan 8.360 nan 0.000 0.500 510 A N 0.000 122.766 122.820 -0.091 0.000 2.254 510 A HA 0.000 4.320 4.320 0.001 0.000 0.244 510 A CA 0.000 51.989 52.037 -0.079 0.000 0.836 510 A CB 0.000 18.956 19.000 -0.074 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486