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 1po3_1_A DATA FIRST_RESID 95 DATA SEQUENCE NDVFEHAGAR DVIRREDFAK TGATTMREVL NRIPGVSAPE NNGTGSHDLA DATA SEQUENCE MNFGIRGLNP RLASRSTVLM DGIPVPFAPY GQPQLSLAPV SLGNMDAIDV DATA SEQUENCE VRGGGAVRYG PQSVGGVVNF VTRAIPQDFG IEAGVEGQLS PTSSQNNPKE DATA SEQUENCE THNLMVGGTA DNGFGTALLY SGTRGSDWRE HSATRIDDLM LKSKYAPDEV DATA SEQUENCE HTFNSLLQYY DGEADMPGGL SRADYDADRW QSTRPYDRFW GRRKLASLGY DATA SEQUENCE QFQPDSQHKF NIQGFYTQTL RSGYLEQGKR ITLSPRNYWV RGIEPRYSQI DATA SEQUENCE FMIGPSAHEV GVGYRYLNES THEMRYYTAT SSGQLPSGSS PYDRDTRSGT DATA SEQUENCE EAHAWYLDDK IDIGNWTITP GMRFEHIESY QNNAITGTHE EVSYNAPLPA DATA SEQUENCE LNVLYHLTDS WNLYANTEGS FGTVQYSQIG KAVQSGNVEP EKARTWELGT DATA SEQUENCE RYDDGALTAE MGLFLINFNN QYDSNQTNDT VTARGKTRHT GLETQARYDL DATA SEQUENCE GTLTPTLDNV SIYASYAYVN AEIREKGDTY GNLVPFSPKH KGTLGVDYKP DATA SEQUENCE GNWTFNLNSD FQSSQFADNA NTVKESADGS TGRIPGFMLW GARVAYDFGP DATA SEQUENCE QMADLNLAFG VKNIFDQDYF IRSYDDNNKG IYAGQPRTLY MQGSLKF 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 95 N HA 0.000 nan 4.740 nan 0.000 0.220 95 N C 0.000 175.527 175.510 0.028 0.000 1.280 95 N CA 0.000 53.070 53.050 0.033 0.000 0.885 95 N CB 0.000 38.495 38.487 0.013 0.000 1.341 96 D N 1.089 121.512 120.400 0.038 0.000 2.308 96 D HA 0.176 4.819 4.640 0.005 0.000 0.242 96 D C 1.492 177.824 176.300 0.054 0.000 1.059 96 D CA -0.547 53.468 54.000 0.025 0.000 0.830 96 D CB 2.914 43.725 40.800 0.019 0.000 1.161 96 D HN -0.208 nan 8.370 nan 0.000 0.494 97 V N 3.420 123.336 119.914 0.002 0.000 2.358 97 V HA -0.408 3.714 4.120 0.005 0.000 0.253 97 V C 1.906 178.043 176.094 0.072 0.000 1.105 97 V CA 2.347 64.643 62.300 -0.006 0.000 1.105 97 V CB -0.725 31.057 31.823 -0.068 0.000 0.846 97 V HN 0.718 nan 8.190 nan 0.000 0.464 98 F N 1.242 121.190 119.950 -0.003 0.000 2.225 98 F HA -0.176 4.354 4.527 0.005 0.000 0.302 98 F C 2.080 177.900 175.800 0.034 0.000 1.068 98 F CA 2.348 60.355 58.000 0.012 0.000 1.327 98 F CB -0.163 38.842 39.000 0.009 0.000 1.043 98 F HN 0.332 nan 8.300 nan 0.000 0.506 99 E N -0.615 119.632 120.200 0.079 0.000 2.403 99 E HA -0.019 4.333 4.350 0.005 0.000 0.188 99 E C -0.491 176.095 176.600 -0.023 0.000 1.056 99 E CA 0.020 56.422 56.400 0.003 0.000 0.892 99 E CB -0.781 28.999 29.700 0.134 0.000 1.049 99 E HN 0.404 nan 8.360 nan 0.000 0.465 100 H N 0.417 119.386 119.070 -0.169 0.000 2.690 100 H HA 0.299 4.858 4.556 0.004 0.000 0.314 100 H C -0.022 175.124 175.328 -0.305 0.000 1.069 100 H CA -0.220 55.711 56.048 -0.194 0.000 1.436 100 H CB 0.953 30.598 29.762 -0.196 0.000 1.462 100 H HN -0.029 nan 8.280 nan 0.000 0.511 101 A N 4.500 126.989 122.820 -0.552 0.000 3.118 101 A HA 0.535 4.858 4.320 0.005 0.000 0.256 101 A C 0.609 177.820 177.584 -0.622 0.000 1.667 101 A CA 0.621 52.406 52.037 -0.420 0.000 1.338 101 A CB -0.935 17.938 19.000 -0.212 0.000 1.127 101 A HN 0.893 nan 8.150 nan 0.000 0.634 102 G N -1.055 107.161 108.800 -0.973 0.000 2.340 102 G HA2 0.573 4.535 3.960 0.005 0.000 0.299 102 G HA3 0.573 4.535 3.960 0.005 0.000 0.299 102 G C -0.739 173.848 174.900 -0.521 0.000 1.291 102 G CA -0.087 44.599 45.100 -0.690 0.000 0.841 102 G HN 1.144 nan 8.290 nan 0.000 0.500 103 A N 0.134 122.878 122.820 -0.126 0.000 2.350 103 A HA 0.771 5.094 4.320 0.005 0.000 0.293 103 A C 0.455 178.030 177.584 -0.014 0.000 1.231 103 A CA 0.192 52.221 52.037 -0.014 0.000 0.883 103 A CB 0.128 19.164 19.000 0.060 0.000 1.133 103 A HN 0.867 nan 8.150 nan 0.000 0.533 104 R N 2.261 122.731 120.500 -0.051 0.000 2.643 104 R HA 0.494 4.837 4.340 0.005 0.000 0.269 104 R C -2.230 174.005 176.300 -0.108 0.000 1.037 104 R CA -0.531 55.489 56.100 -0.132 0.000 0.894 104 R CB 1.730 31.825 30.300 -0.341 0.000 1.238 104 R HN 0.729 nan 8.270 nan 0.000 0.459 105 D N 2.227 122.555 120.400 -0.120 0.000 2.837 105 D HA 0.317 4.960 4.640 0.005 0.000 0.220 105 D C -1.616 174.621 176.300 -0.106 0.000 1.236 105 D CA -0.277 53.672 54.000 -0.085 0.000 0.838 105 D CB 2.705 43.476 40.800 -0.048 0.000 1.647 105 D HN 0.291 nan 8.370 nan 0.000 0.486 106 V N 1.189 121.054 119.914 -0.082 0.000 2.655 106 V HA 0.555 4.677 4.120 0.005 0.000 0.301 106 V C -1.678 174.396 176.094 -0.033 0.000 1.082 106 V CA -0.531 61.723 62.300 -0.077 0.000 0.899 106 V CB 1.322 33.087 31.823 -0.096 0.000 1.014 106 V HN 0.379 nan 8.190 nan 0.000 0.429 107 I N 6.600 127.175 120.570 0.008 0.000 2.437 107 I HA 0.651 4.824 4.170 0.005 0.000 0.298 107 I C 0.654 176.841 176.117 0.117 0.000 0.984 107 I CA -0.264 61.078 61.300 0.070 0.000 1.214 107 I CB 1.625 39.707 38.000 0.137 0.000 1.365 107 I HN 0.617 nan 8.210 nan 0.000 0.469 108 R N 3.590 124.097 120.500 0.012 0.000 2.720 108 R HA 0.482 4.824 4.340 0.005 0.000 0.272 108 R C 1.063 177.043 176.300 -0.534 0.000 0.991 108 R CA -0.933 55.088 56.100 -0.133 0.000 1.010 108 R CB 1.323 31.537 30.300 -0.143 0.000 1.141 108 R HN 0.558 nan 8.270 nan 0.000 0.494 109 R N 1.607 121.599 120.500 -0.847 0.000 2.115 109 R HA -0.231 4.112 4.340 0.005 0.000 0.239 109 R C 0.685 176.393 176.300 -0.987 0.000 1.133 109 R CA 2.470 57.639 56.100 -1.552 0.000 0.935 109 R CB -0.201 29.667 30.300 -0.719 0.000 0.853 109 R HN 0.663 nan 8.270 nan 0.000 0.433 110 E N 0.374 120.276 120.200 -0.497 0.000 2.517 110 E HA -0.141 4.212 4.350 0.005 0.000 0.207 110 E C 0.007 176.464 176.600 -0.239 0.000 1.144 110 E CA 0.939 57.157 56.400 -0.303 0.000 0.920 110 E CB -0.002 29.576 29.700 -0.203 0.000 0.867 110 E HN 0.445 nan 8.360 nan 0.000 0.580 111 D N -1.491 118.738 120.400 -0.285 0.000 2.538 111 D HA 0.073 4.716 4.640 0.005 0.000 0.241 111 D C 0.416 176.775 176.300 0.097 0.000 1.297 111 D CA -0.096 53.850 54.000 -0.089 0.000 0.804 111 D CB 0.248 41.010 40.800 -0.064 0.000 1.122 111 D HN 0.069 nan 8.370 nan 0.000 0.519 112 F N 2.051 121.961 119.950 -0.067 0.000 2.118 112 F HA 0.119 4.649 4.527 0.005 0.000 0.293 112 F C 2.646 178.405 175.800 -0.068 0.000 1.102 112 F CA 0.383 58.342 58.000 -0.069 0.000 1.247 112 F CB -1.297 37.657 39.000 -0.076 0.000 1.017 112 F HN -0.063 nan 8.300 nan 0.000 0.475 113 A N 0.259 123.157 122.820 0.129 0.000 1.986 113 A HA -0.300 4.023 4.320 0.005 0.000 0.220 113 A C 2.319 179.937 177.584 0.057 0.000 1.171 113 A CA 2.017 54.083 52.037 0.047 0.000 0.640 113 A CB -1.024 17.983 19.000 0.011 0.000 0.811 113 A HN 0.377 nan 8.150 nan 0.000 0.451 114 K N -0.599 119.839 120.400 0.062 0.000 2.117 114 K HA -0.254 4.069 4.320 0.005 0.000 0.215 114 K C 1.422 178.098 176.600 0.128 0.000 1.053 114 K CA 2.236 58.573 56.287 0.083 0.000 0.935 114 K CB -0.361 32.168 32.500 0.048 0.000 0.719 114 K HN 0.652 nan 8.250 nan 0.000 0.460 115 T N -3.500 111.111 114.554 0.096 0.000 3.214 115 T HA 0.316 4.669 4.350 0.005 0.000 0.264 115 T C 0.857 175.570 174.700 0.022 0.000 1.012 115 T CA 0.219 62.385 62.100 0.109 0.000 0.901 115 T CB 0.670 69.589 68.868 0.084 0.000 1.070 115 T HN 0.434 nan 8.240 nan 0.000 0.561 116 G N 1.309 110.048 108.800 -0.101 0.000 2.166 116 G HA2 -0.114 3.849 3.960 0.005 0.000 0.260 116 G HA3 -0.114 3.849 3.960 0.005 0.000 0.260 116 G C 0.416 175.045 174.900 -0.451 0.000 0.986 116 G CA -0.096 44.589 45.100 -0.692 0.000 0.683 116 G HN 1.286 nan 8.290 nan 0.000 0.527 117 A N -0.780 121.927 122.820 -0.189 0.000 2.531 117 A HA 0.642 4.965 4.320 0.005 0.000 0.236 117 A C 1.238 178.730 177.584 -0.153 0.000 1.062 117 A CA 1.795 53.749 52.037 -0.138 0.000 0.760 117 A CB 0.604 19.549 19.000 -0.091 0.000 0.995 117 A HN 1.243 nan 8.150 nan 0.000 0.501 118 T N -0.249 114.215 114.554 -0.150 0.000 3.252 118 T HA 0.291 4.644 4.350 0.005 0.000 0.295 118 T C -0.002 174.607 174.700 -0.152 0.000 0.897 118 T CA 0.810 62.825 62.100 -0.142 0.000 0.905 118 T CB -0.424 68.364 68.868 -0.133 0.000 1.202 118 T HN 1.467 nan 8.240 nan 0.000 0.592 119 T N -0.915 113.542 114.554 -0.161 0.000 2.956 119 T HA 0.514 4.866 4.350 0.005 0.000 0.312 119 T C 1.054 175.637 174.700 -0.196 0.000 1.151 119 T CA -0.633 61.367 62.100 -0.166 0.000 1.024 119 T CB 1.518 70.321 68.868 -0.107 0.000 1.140 119 T HN -0.123 nan 8.240 nan 0.000 0.473 120 M N 1.717 121.178 119.600 -0.231 0.000 2.270 120 M HA -0.158 4.325 4.480 0.005 0.000 0.254 120 M C 2.404 178.622 176.300 -0.135 0.000 1.072 120 M CA 2.293 57.461 55.300 -0.220 0.000 1.077 120 M CB -0.931 31.530 32.600 -0.232 0.000 1.288 120 M HN 0.886 nan 8.290 nan 0.000 0.424 121 R N -0.052 120.393 120.500 -0.090 0.000 2.179 121 R HA -0.270 4.073 4.340 0.005 0.000 0.238 121 R C 1.973 178.252 176.300 -0.035 0.000 1.119 121 R CA 2.634 58.713 56.100 -0.035 0.000 0.915 121 R CB -0.631 29.657 30.300 -0.019 0.000 0.870 121 R HN 0.589 nan 8.270 nan 0.000 0.432 122 E N -0.655 119.516 120.200 -0.049 0.000 2.187 122 E HA -0.204 4.148 4.350 0.005 0.000 0.199 122 E C 1.939 178.496 176.600 -0.072 0.000 1.004 122 E CA 1.580 57.954 56.400 -0.044 0.000 0.813 122 E CB -0.025 29.644 29.700 -0.051 0.000 0.736 122 E HN 0.250 nan 8.360 nan 0.000 0.468 123 V N 0.548 120.379 119.914 -0.138 0.000 2.649 123 V HA -0.148 3.975 4.120 0.005 0.000 0.248 123 V C 1.884 177.925 176.094 -0.088 0.000 1.054 123 V CA 0.868 63.072 62.300 -0.159 0.000 1.073 123 V CB -0.047 31.546 31.823 -0.384 0.000 0.699 123 V HN 0.176 nan 8.190 nan 0.000 0.463 124 L N 0.115 121.300 121.223 -0.064 0.000 2.179 124 L HA 0.031 4.374 4.340 0.005 0.000 0.208 124 L C 2.069 178.956 176.870 0.029 0.000 1.096 124 L CA 1.406 56.244 54.840 -0.003 0.000 0.779 124 L CB -1.098 40.987 42.059 0.043 0.000 0.922 124 L HN 0.282 nan 8.230 nan 0.000 0.443 125 N N -0.053 118.655 118.700 0.013 0.000 2.573 125 N HA -0.110 4.633 4.740 0.005 0.000 0.187 125 N C 1.696 177.191 175.510 -0.026 0.000 1.107 125 N CA 0.512 53.561 53.050 -0.001 0.000 0.918 125 N CB 0.153 38.643 38.487 0.004 0.000 0.966 125 N HN 0.370 nan 8.380 nan 0.000 0.448 126 R N -0.369 120.121 120.500 -0.018 0.000 2.210 126 R HA 0.196 4.539 4.340 0.005 0.000 0.203 126 R C 0.523 176.813 176.300 -0.016 0.000 1.010 126 R CA 0.045 56.136 56.100 -0.015 0.000 1.008 126 R CB 0.320 30.619 30.300 -0.001 0.000 0.923 126 R HN 0.147 nan 8.270 nan 0.000 0.469 127 I N 4.163 124.726 120.570 -0.012 0.000 2.710 127 I HA 0.011 4.184 4.170 0.005 0.000 0.286 127 I C -1.880 174.223 176.117 -0.023 0.000 1.181 127 I CA -1.741 59.554 61.300 -0.008 0.000 1.430 127 I CB 0.418 38.424 38.000 0.009 0.000 1.367 127 I HN -0.154 nan 8.210 nan 0.000 0.577 128 P HA 0.057 nan 4.420 nan 0.000 0.271 128 P C 0.670 177.941 177.300 -0.049 0.000 1.220 128 P CA 0.305 63.390 63.100 -0.026 0.000 0.768 128 P CB 1.114 32.824 31.700 0.018 0.000 0.848 129 G N 1.745 110.496 108.800 -0.082 0.000 2.184 129 G HA2 -0.211 3.752 3.960 0.005 0.000 0.264 129 G HA3 -0.211 3.752 3.960 0.005 0.000 0.264 129 G C -0.020 174.770 174.900 -0.183 0.000 0.975 129 G CA 0.031 45.063 45.100 -0.112 0.000 0.642 129 G HN 0.539 nan 8.290 nan 0.000 0.536 130 V N 0.765 120.582 119.914 -0.161 0.000 2.427 130 V HA 0.720 4.842 4.120 0.005 0.000 0.286 130 V C 0.377 176.352 176.094 -0.199 0.000 1.034 130 V CA 0.178 62.344 62.300 -0.224 0.000 0.893 130 V CB 1.779 33.573 31.823 -0.049 0.000 0.982 130 V HN 0.408 nan 8.190 nan 0.000 0.452 131 S N 3.662 119.194 115.700 -0.280 0.000 2.596 131 S HA 0.754 5.227 4.470 0.005 0.000 0.318 131 S C -0.216 174.295 174.600 -0.147 0.000 1.097 131 S CA -0.214 57.881 58.200 -0.176 0.000 1.080 131 S CB 1.057 64.162 63.200 -0.158 0.000 0.991 131 S HN 1.041 nan 8.310 nan 0.000 0.471 132 A N 6.919 129.713 122.820 -0.045 0.000 2.842 132 A HA 0.583 4.906 4.320 0.005 0.000 0.339 132 A C -2.633 174.955 177.584 0.007 0.000 1.177 132 A CA -1.547 50.493 52.037 0.006 0.000 0.797 132 A CB 0.368 19.418 19.000 0.083 0.000 1.094 132 A HN 0.636 nan 8.150 nan 0.000 0.474 133 P HA -0.001 nan 4.420 nan 0.000 0.266 133 P C -0.209 177.095 177.300 0.008 0.000 1.193 133 P CA 0.442 63.540 63.100 -0.004 0.000 0.770 133 P CB 0.696 32.340 31.700 -0.092 0.000 0.836 134 E N 1.490 121.739 120.200 0.082 0.000 2.408 134 E HA 0.062 4.415 4.350 0.005 0.000 0.259 134 E C 0.223 176.829 176.600 0.010 0.000 1.110 134 E CA -0.536 55.940 56.400 0.127 0.000 0.929 134 E CB 0.036 29.921 29.700 0.308 0.000 0.971 134 E HN 0.406 nan 8.360 nan 0.000 0.438 135 N N 2.397 121.088 118.700 -0.015 0.000 2.138 135 N HA -0.101 4.642 4.740 0.005 0.000 0.271 135 N C -0.722 174.664 175.510 -0.206 0.000 1.272 135 N CA 0.791 53.763 53.050 -0.130 0.000 0.819 135 N CB -0.299 38.119 38.487 -0.115 0.000 1.052 135 N HN 0.582 nan 8.380 nan 0.000 0.479 136 N N -0.874 117.588 118.700 -0.396 0.000 2.846 136 N HA 0.521 5.264 4.740 0.005 0.000 0.248 136 N C -0.022 175.140 175.510 -0.579 0.000 1.097 136 N CA -0.405 52.126 53.050 -0.866 0.000 1.013 136 N CB 0.945 38.748 38.487 -1.139 0.000 1.686 136 N HN 0.625 nan 8.380 nan 0.000 0.520 137 G N 0.536 109.115 108.800 -0.367 0.000 2.553 137 G HA2 -0.334 3.628 3.960 0.005 0.000 0.242 137 G HA3 -0.334 3.628 3.960 0.005 0.000 0.242 137 G C 0.725 175.559 174.900 -0.110 0.000 1.277 137 G CA 0.339 45.369 45.100 -0.117 0.000 0.910 137 G HN 0.888 nan 8.290 nan 0.000 0.576 138 T N 1.143 115.625 114.554 -0.121 0.000 2.699 138 T HA 0.033 4.386 4.350 0.005 0.000 0.268 138 T C 2.064 176.563 174.700 -0.335 0.000 1.036 138 T CA 2.380 64.395 62.100 -0.141 0.000 1.147 138 T CB -0.638 68.163 68.868 -0.112 0.000 0.862 138 T HN 1.683 nan 8.240 nan 0.000 0.446 139 G N 1.206 109.768 108.800 -0.396 0.000 3.455 139 G HA2 0.250 4.213 3.960 0.005 0.000 0.250 139 G HA3 0.250 4.213 3.960 0.005 0.000 0.250 139 G C 0.292 174.780 174.900 -0.687 0.000 1.071 139 G CA -0.296 44.428 45.100 -0.628 0.000 1.812 139 G HN 0.385 nan 8.290 nan 0.000 0.643 140 S N 0.994 116.328 115.700 -0.609 0.000 3.548 140 S HA 0.464 4.937 4.470 0.005 0.000 0.195 140 S C -0.092 174.346 174.600 -0.271 0.000 1.432 140 S CA -0.746 57.266 58.200 -0.314 0.000 1.087 140 S CB -0.627 62.581 63.200 0.014 0.000 1.337 140 S HN 0.820 nan 8.310 nan 0.000 0.505 141 H N -1.520 117.481 119.070 -0.115 0.000 2.894 141 H HA 0.306 4.865 4.556 0.005 0.000 0.282 141 H C -1.007 174.264 175.328 -0.095 0.000 1.448 141 H CA -0.913 55.078 56.048 -0.095 0.000 1.158 141 H CB -0.396 29.327 29.762 -0.064 0.000 1.818 141 H HN 0.044 nan 8.280 nan 0.000 0.493 142 D N 0.325 120.816 120.400 0.152 0.000 2.324 142 D HA 0.053 4.696 4.640 0.005 0.000 0.235 142 D C 1.027 177.415 176.300 0.147 0.000 1.095 142 D CA 0.322 54.368 54.000 0.076 0.000 0.871 142 D CB 0.479 41.282 40.800 0.004 0.000 0.906 142 D HN 0.248 nan 8.370 nan 0.000 0.522 143 L N 0.612 122.041 121.223 0.343 0.000 2.202 143 L HA 0.154 4.497 4.340 0.005 0.000 0.205 143 L C 1.308 178.296 176.870 0.196 0.000 1.083 143 L CA 0.550 55.532 54.840 0.236 0.000 0.790 143 L CB -0.385 41.698 42.059 0.041 0.000 0.942 143 L HN -0.114 nan 8.230 nan 0.000 0.452 144 A N -0.483 122.497 122.820 0.266 0.000 2.257 144 A HA 0.601 4.924 4.320 0.005 0.000 0.289 144 A C -0.278 177.247 177.584 -0.099 0.000 1.095 144 A CA -0.305 51.725 52.037 -0.011 0.000 0.836 144 A CB 0.585 19.455 19.000 -0.216 0.000 1.111 144 A HN 0.136 nan 8.150 nan 0.000 0.497 145 M N 1.349 120.871 119.600 -0.130 0.000 2.395 145 M HA 0.375 4.858 4.480 0.005 0.000 0.307 145 M C -1.734 174.502 176.300 -0.106 0.000 1.091 145 M CA -0.526 54.705 55.300 -0.116 0.000 0.919 145 M CB 1.491 34.020 32.600 -0.118 0.000 1.662 145 M HN 0.730 nan 8.290 nan 0.000 0.440 146 N N 5.018 123.673 118.700 -0.075 0.000 2.399 146 N HA 0.611 5.354 4.740 0.005 0.000 0.280 146 N C -1.905 173.638 175.510 0.055 0.000 1.008 146 N CA -0.117 52.895 53.050 -0.065 0.000 0.894 146 N CB 2.260 40.670 38.487 -0.128 0.000 1.273 146 N HN 0.702 nan 8.380 nan 0.000 0.486 147 F N 0.322 120.185 119.950 -0.145 0.000 2.688 147 F HA 0.666 5.196 4.527 0.005 0.000 0.308 147 F C -1.237 174.478 175.800 -0.141 0.000 1.117 147 F CA -0.350 57.571 58.000 -0.133 0.000 0.976 147 F CB 1.793 40.717 39.000 -0.126 0.000 1.291 147 F HN 0.463 nan 8.300 nan 0.000 0.439 148 G N 5.342 113.485 108.800 -1.094 0.000 2.655 148 G HA2 0.547 4.509 3.960 0.005 0.000 0.296 148 G HA3 0.547 4.509 3.960 0.005 0.000 0.296 148 G C -2.300 172.050 174.900 -0.917 0.000 1.485 148 G CA -0.526 44.022 45.100 -0.921 0.000 0.869 148 G HN 1.039 nan 8.290 nan 0.000 0.540 149 I N -1.459 118.688 120.570 -0.705 0.000 2.797 149 I HA 0.787 4.960 4.170 0.005 0.000 0.307 149 I C 0.594 176.491 176.117 -0.368 0.000 1.033 149 I CA -1.605 59.395 61.300 -0.499 0.000 1.071 149 I CB 1.372 39.123 38.000 -0.415 0.000 1.255 149 I HN 0.889 nan 8.210 nan 0.000 0.445 150 R N 3.137 123.441 120.500 -0.326 0.000 3.416 150 R HA -0.156 4.187 4.340 0.005 0.000 0.263 150 R C 0.990 177.253 176.300 -0.062 0.000 1.053 150 R CA 0.713 56.648 56.100 -0.273 0.000 0.705 150 R CB -2.187 27.747 30.300 -0.609 0.000 1.124 150 R HN 1.586 nan 8.270 nan 0.000 0.444 151 G N -0.652 108.105 108.800 -0.070 0.000 2.189 151 G HA2 -0.359 3.604 3.960 0.005 0.000 0.267 151 G HA3 -0.359 3.604 3.960 0.005 0.000 0.267 151 G C 0.366 175.267 174.900 0.002 0.000 0.975 151 G CA 0.431 45.538 45.100 0.011 0.000 0.644 151 G HN 0.327 nan 8.290 nan 0.000 0.537 152 L N 0.560 121.704 121.223 -0.132 0.000 2.483 152 L HA 0.145 4.487 4.340 0.005 0.000 0.276 152 L C 1.066 177.846 176.870 -0.151 0.000 1.213 152 L CA -0.599 54.124 54.840 -0.195 0.000 0.843 152 L CB 0.335 42.248 42.059 -0.243 0.000 1.107 152 L HN 0.212 nan 8.230 nan 0.000 0.487 153 N N 4.911 123.532 118.700 -0.132 0.000 2.414 153 N HA -0.004 4.739 4.740 0.005 0.000 0.268 153 N C -1.731 173.691 175.510 -0.148 0.000 1.286 153 N CA -1.126 51.867 53.050 -0.095 0.000 0.896 153 N CB 0.795 39.239 38.487 -0.072 0.000 1.093 153 N HN 0.299 nan 8.380 nan 0.000 0.480 154 P HA 0.028 nan 4.420 nan 0.000 0.257 154 P C -0.062 177.126 177.300 -0.187 0.000 1.281 154 P CA 0.010 62.993 63.100 -0.194 0.000 0.826 154 P CB 0.142 31.716 31.700 -0.210 0.000 1.237 155 R N 1.638 122.014 120.500 -0.207 0.000 2.399 155 R HA 0.107 4.450 4.340 0.005 0.000 0.324 155 R C 0.043 176.246 176.300 -0.162 0.000 1.030 155 R CA -0.258 55.715 56.100 -0.212 0.000 0.984 155 R CB -0.578 29.598 30.300 -0.206 0.000 0.961 155 R HN -0.163 nan 8.270 nan 0.000 0.433 156 L N 3.688 124.812 121.223 -0.164 0.000 3.865 156 L HA -0.297 4.046 4.340 0.005 0.000 0.408 156 L C 0.676 177.472 176.870 -0.124 0.000 1.209 156 L CA 1.525 56.276 54.840 -0.148 0.000 0.940 156 L CB -2.122 39.850 42.059 -0.145 0.000 1.971 156 L HN 0.994 nan 8.230 nan 0.000 0.899 157 A N -1.421 121.352 122.820 -0.077 0.000 2.744 157 A HA -0.303 4.020 4.320 0.005 0.000 0.300 157 A C 1.728 179.269 177.584 -0.072 0.000 1.512 157 A CA 1.493 53.522 52.037 -0.013 0.000 0.851 157 A CB -1.716 17.297 19.000 0.022 0.000 0.987 157 A HN 1.380 nan 8.150 nan 0.000 0.507 158 S N -1.085 114.552 115.700 -0.105 0.000 2.562 158 S HA 0.055 4.527 4.470 0.005 0.000 0.221 158 S C 1.310 175.845 174.600 -0.109 0.000 0.975 158 S CA 0.413 58.533 58.200 -0.133 0.000 0.918 158 S CB 0.006 63.129 63.200 -0.128 0.000 0.772 158 S HN 0.654 nan 8.310 nan 0.000 0.531 159 R N 1.437 121.888 120.500 -0.082 0.000 2.320 159 R HA 0.366 4.708 4.340 0.005 0.000 0.211 159 R C -0.077 176.193 176.300 -0.051 0.000 0.931 159 R CA 0.080 56.144 56.100 -0.059 0.000 1.071 159 R CB -0.180 30.083 30.300 -0.062 0.000 1.025 159 R HN 0.378 nan 8.270 nan 0.000 0.495 160 S N -0.642 115.027 115.700 -0.052 0.000 2.806 160 S HA 0.427 4.900 4.470 0.005 0.000 0.315 160 S C -0.142 174.372 174.600 -0.144 0.000 1.127 160 S CA -0.481 57.688 58.200 -0.052 0.000 0.918 160 S CB 2.322 65.572 63.200 0.083 0.000 1.240 160 S HN -0.109 nan 8.310 nan 0.000 0.552 161 T N 1.756 116.198 114.554 -0.186 0.000 3.060 161 T HA 0.400 4.753 4.350 0.005 0.000 0.367 161 T C -0.838 173.667 174.700 -0.325 0.000 1.229 161 T CA -0.242 61.707 62.100 -0.253 0.000 1.104 161 T CB 0.674 69.399 68.868 -0.238 0.000 1.083 161 T HN 0.430 nan 8.240 nan 0.000 0.524 162 V N 6.433 126.151 119.914 -0.327 0.000 2.465 162 V HA 0.768 4.891 4.120 0.005 0.000 0.279 162 V C -1.070 174.825 176.094 -0.333 0.000 1.045 162 V CA -0.352 61.720 62.300 -0.380 0.000 0.938 162 V CB 0.588 32.223 31.823 -0.314 0.000 0.986 162 V HN 0.717 nan 8.190 nan 0.000 0.467 163 L N 6.740 127.743 121.223 -0.367 0.000 2.409 163 L HA 0.614 4.957 4.340 0.005 0.000 0.262 163 L C -0.535 176.231 176.870 -0.174 0.000 0.992 163 L CA -0.578 54.092 54.840 -0.283 0.000 0.817 163 L CB 2.162 44.021 42.059 -0.334 0.000 1.350 163 L HN 0.716 nan 8.230 nan 0.000 0.411 164 M N 2.335 121.875 119.600 -0.100 0.000 2.167 164 M HA 0.365 4.848 4.480 0.005 0.000 0.333 164 M C -0.792 175.464 176.300 -0.072 0.000 1.030 164 M CA -0.032 55.260 55.300 -0.012 0.000 0.963 164 M CB 0.998 33.583 32.600 -0.026 0.000 1.589 164 M HN 0.634 nan 8.290 nan 0.000 0.431 165 D N 4.273 124.644 120.400 -0.049 0.000 2.701 165 D HA -0.194 4.449 4.640 0.005 0.000 0.235 165 D C 1.013 177.280 176.300 -0.055 0.000 1.155 165 D CA 2.012 55.987 54.000 -0.041 0.000 0.649 165 D CB -1.243 39.545 40.800 -0.019 0.000 1.050 165 D HN 1.221 nan 8.370 nan 0.000 0.425 166 G N -1.601 107.146 108.800 -0.089 0.000 2.284 166 G HA2 -0.373 3.590 3.960 0.005 0.000 0.261 166 G HA3 -0.373 3.590 3.960 0.005 0.000 0.261 166 G C 0.420 175.228 174.900 -0.153 0.000 0.997 166 G CA 0.428 45.487 45.100 -0.068 0.000 0.621 166 G HN 0.490 nan 8.290 nan 0.000 0.534 167 I N 2.893 123.328 120.570 -0.224 0.000 2.519 167 I HA 0.432 4.604 4.170 0.005 0.000 0.287 167 I C -1.967 173.890 176.117 -0.434 0.000 1.047 167 I CA -2.584 58.441 61.300 -0.458 0.000 1.381 167 I CB 0.877 38.624 38.000 -0.422 0.000 1.417 167 I HN -0.132 nan 8.210 nan 0.000 0.540 168 P HA 0.125 nan 4.420 nan 0.000 0.282 168 P C 0.729 177.824 177.300 -0.342 0.000 1.262 168 P CA -0.235 62.632 63.100 -0.389 0.000 0.773 168 P CB 0.886 32.381 31.700 -0.342 0.000 0.879 169 V N 5.103 124.843 119.914 -0.289 0.000 2.307 169 V HA -0.076 4.047 4.120 0.005 0.000 0.245 169 V C -1.334 174.566 176.094 -0.322 0.000 1.045 169 V CA 1.514 63.651 62.300 -0.271 0.000 1.024 169 V CB -2.139 29.548 31.823 -0.227 0.000 0.651 169 V HN 0.599 nan 8.190 nan 0.000 0.449 170 P HA -0.091 nan 4.420 nan 0.000 0.269 170 P C -0.072 176.925 177.300 -0.505 0.000 1.205 170 P CA 0.497 63.236 63.100 -0.601 0.000 0.780 170 P CB 0.087 31.441 31.700 -0.577 0.000 0.858 171 F N -0.373 119.362 119.950 -0.358 0.000 2.663 171 F HA 0.675 5.204 4.527 0.004 0.000 0.299 171 F C 0.495 176.044 175.800 -0.419 0.000 1.143 171 F CA -1.169 56.586 58.000 -0.408 0.000 1.387 171 F CB -0.826 37.816 39.000 -0.596 0.000 1.019 171 F HN 0.207 nan 8.300 nan 0.000 0.523 172 A N 0.290 122.977 122.820 -0.223 0.000 2.642 172 A HA 0.417 4.740 4.320 0.005 0.000 0.261 172 A C -2.571 174.913 177.584 -0.166 0.000 1.335 172 A CA -0.605 51.407 52.037 -0.040 0.000 1.073 172 A CB -0.279 18.738 19.000 0.029 0.000 1.369 172 A HN 0.002 nan 8.150 nan 0.000 0.706 173 P HA -0.030 nan 4.420 nan 0.000 0.239 173 P C 0.478 177.516 177.300 -0.438 0.000 1.184 173 P CA 1.339 64.228 63.100 -0.352 0.000 0.760 173 P CB -0.071 31.404 31.700 -0.374 0.000 0.884 174 Y N -1.629 118.558 120.300 -0.189 0.000 2.331 174 Y HA 0.232 4.784 4.550 0.004 0.000 0.282 174 Y C 2.720 178.397 175.900 -0.371 0.000 1.140 174 Y CA 1.036 59.003 58.100 -0.221 0.000 1.198 174 Y CB -1.123 37.238 38.460 -0.165 0.000 1.159 174 Y HN -0.169 nan 8.280 nan 0.000 0.512 175 G N -0.956 107.620 108.800 -0.373 0.000 2.598 175 G HA2 -0.040 3.923 3.960 0.005 0.000 0.215 175 G HA3 -0.040 3.923 3.960 0.005 0.000 0.215 175 G C 0.631 175.103 174.900 -0.714 0.000 1.131 175 G CA 0.663 45.058 45.100 -1.175 0.000 0.785 175 G HN 0.164 nan 8.290 nan 0.000 0.539 176 Q N -1.099 118.506 119.800 -0.325 0.000 3.214 176 Q HA 0.137 4.480 4.340 0.005 0.000 0.277 176 Q C -2.168 173.650 176.000 -0.304 0.000 0.737 176 Q CA -0.971 54.732 55.803 -0.166 0.000 0.971 176 Q CB 1.691 30.513 28.738 0.141 0.000 1.528 176 Q HN 0.147 nan 8.270 nan 0.000 0.375 177 P HA -0.208 nan 4.420 nan 0.000 0.217 177 P C -0.102 176.963 177.300 -0.393 0.000 1.148 177 P CA 1.265 64.149 63.100 -0.360 0.000 0.834 177 P CB 0.319 31.860 31.700 -0.265 0.000 0.783 178 Q N -0.100 119.532 119.800 -0.280 0.000 2.339 178 Q HA -0.043 4.300 4.340 0.005 0.000 0.308 178 Q C 0.168 175.995 176.000 -0.288 0.000 1.097 178 Q CA 0.771 56.446 55.803 -0.213 0.000 1.007 178 Q CB -0.746 27.940 28.738 -0.086 0.000 1.051 178 Q HN 0.298 nan 8.270 nan 0.000 0.381 179 L N 2.681 123.749 121.223 -0.258 0.000 2.437 179 L HA 0.034 4.376 4.340 0.005 0.000 0.243 179 L C 0.811 177.624 176.870 -0.096 0.000 1.346 179 L CA -0.159 54.531 54.840 -0.250 0.000 1.233 179 L CB -0.520 41.400 42.059 -0.232 0.000 1.436 179 L HN 0.727 nan 8.230 nan 0.000 0.416 180 S N 0.773 116.508 115.700 0.059 0.000 2.359 180 S HA -0.122 4.351 4.470 0.005 0.000 0.224 180 S C 0.585 175.248 174.600 0.105 0.000 1.035 180 S CA 0.746 58.971 58.200 0.042 0.000 1.018 180 S CB -0.113 63.251 63.200 0.274 0.000 0.876 180 S HN 0.376 nan 8.310 nan 0.000 0.448 181 L N 1.052 122.462 121.223 0.311 0.000 2.307 181 L HA 0.726 5.068 4.340 0.005 0.000 0.284 181 L C -0.679 176.182 176.870 -0.015 0.000 1.023 181 L CA -1.027 53.956 54.840 0.238 0.000 0.810 181 L CB 1.042 43.267 42.059 0.276 0.000 1.231 181 L HN 0.083 nan 8.230 nan 0.000 0.423 182 A N 6.236 128.965 122.820 -0.151 0.000 2.842 182 A HA 0.674 4.996 4.320 0.005 0.000 0.339 182 A C -2.483 174.752 177.584 -0.582 0.000 1.177 182 A CA -1.245 50.612 52.037 -0.299 0.000 0.797 182 A CB -0.032 18.831 19.000 -0.229 0.000 1.094 182 A HN 0.637 nan 8.150 nan 0.000 0.474 183 P HA 0.190 nan 4.420 nan 0.000 0.258 183 P C -0.554 176.346 177.300 -0.666 0.000 1.563 183 P CA 0.788 63.206 63.100 -1.137 0.000 1.241 183 P CB 0.116 31.444 31.700 -0.621 0.000 1.811 184 V N 1.933 121.499 119.914 -0.579 0.000 3.036 184 V HA 0.401 4.523 4.120 0.005 0.000 0.280 184 V C -1.485 174.445 176.094 -0.273 0.000 1.497 184 V CA -0.296 61.779 62.300 -0.376 0.000 0.982 184 V CB 2.342 33.843 31.823 -0.537 0.000 1.171 184 V HN 0.084 nan 8.190 nan 0.000 0.444 185 S N 4.737 120.293 115.700 -0.239 0.000 2.532 185 S HA 0.476 4.948 4.470 0.005 0.000 0.299 185 S C 0.371 174.808 174.600 -0.271 0.000 1.105 185 S CA -0.173 57.897 58.200 -0.217 0.000 1.018 185 S CB 1.671 64.779 63.200 -0.153 0.000 1.021 185 S HN 1.067 nan 8.310 nan 0.000 0.483 186 L N 4.702 125.751 121.223 -0.291 0.000 2.013 186 L HA -0.028 4.315 4.340 0.005 0.000 0.212 186 L C 2.212 179.021 176.870 -0.102 0.000 1.073 186 L CA 2.586 57.267 54.840 -0.265 0.000 0.753 186 L CB -1.061 40.800 42.059 -0.331 0.000 0.890 186 L HN 0.862 nan 8.230 nan 0.000 0.432 187 G N -0.966 107.771 108.800 -0.106 0.000 2.516 187 G HA2 -0.302 3.660 3.960 0.005 0.000 0.221 187 G HA3 -0.302 3.660 3.960 0.005 0.000 0.221 187 G C 1.253 176.121 174.900 -0.053 0.000 1.107 187 G CA 0.979 46.042 45.100 -0.062 0.000 0.747 187 G HN 0.516 nan 8.290 nan 0.000 0.567 188 N N -0.423 118.233 118.700 -0.074 0.000 2.353 188 N HA 0.142 4.885 4.740 0.005 0.000 0.185 188 N C 0.628 176.127 175.510 -0.019 0.000 1.098 188 N CA 0.259 53.279 53.050 -0.051 0.000 0.872 188 N CB 0.213 38.662 38.487 -0.064 0.000 0.970 188 N HN 0.204 nan 8.380 nan 0.000 0.467 189 M N -0.211 119.399 119.600 0.016 0.000 2.528 189 M HA 0.243 4.726 4.480 0.005 0.000 0.318 189 M C 0.536 176.896 176.300 0.101 0.000 1.195 189 M CA -0.263 55.078 55.300 0.068 0.000 1.000 189 M CB 1.128 33.791 32.600 0.104 0.000 1.615 189 M HN -0.203 nan 8.290 nan 0.000 0.469 190 D N 0.494 120.929 120.400 0.059 0.000 2.423 190 D HA 0.487 5.130 4.640 0.005 0.000 0.208 190 D C -0.362 175.931 176.300 -0.011 0.000 1.068 190 D CA 0.481 54.468 54.000 -0.022 0.000 0.860 190 D CB 1.040 41.814 40.800 -0.044 0.000 0.992 190 D HN 0.658 nan 8.370 nan 0.000 0.504 191 A N 0.032 122.927 122.820 0.125 0.000 2.581 191 A HA 0.510 4.833 4.320 0.005 0.000 0.294 191 A C -1.631 176.050 177.584 0.161 0.000 1.035 191 A CA -0.626 51.510 52.037 0.166 0.000 0.684 191 A CB 0.549 19.566 19.000 0.029 0.000 1.282 191 A HN -0.006 nan 8.150 nan 0.000 0.417 192 I N 1.431 122.087 120.570 0.143 0.000 2.378 192 I HA 0.390 4.563 4.170 0.005 0.000 0.291 192 I C -0.925 175.118 176.117 -0.124 0.000 0.992 192 I CA -0.343 60.951 61.300 -0.010 0.000 1.154 192 I CB 1.931 39.918 38.000 -0.022 0.000 1.315 192 I HN 0.653 nan 8.210 nan 0.000 0.448 193 D N 6.311 126.562 120.400 -0.248 0.000 2.464 193 D HA 0.330 4.973 4.640 0.005 0.000 0.243 193 D C -0.942 175.157 176.300 -0.336 0.000 1.104 193 D CA -0.219 53.630 54.000 -0.253 0.000 0.883 193 D CB 1.254 41.915 40.800 -0.232 0.000 1.050 193 D HN 0.090 nan 8.370 nan 0.000 0.524 194 V N 3.995 123.745 119.914 -0.273 0.000 2.348 194 V HA 0.333 4.455 4.120 0.005 0.000 0.270 194 V C 0.255 176.231 176.094 -0.196 0.000 1.037 194 V CA -0.822 61.324 62.300 -0.257 0.000 0.872 194 V CB 1.400 33.122 31.823 -0.169 0.000 1.002 194 V HN 0.284 nan 8.190 nan 0.000 0.464 195 V N 6.611 126.401 119.914 -0.207 0.000 2.328 195 V HA 0.334 4.457 4.120 0.005 0.000 0.278 195 V C 1.074 177.115 176.094 -0.089 0.000 1.021 195 V CA -0.351 61.855 62.300 -0.157 0.000 0.838 195 V CB 1.335 33.062 31.823 -0.159 0.000 0.999 195 V HN 0.820 nan 8.190 nan 0.000 0.447 196 R N 2.778 123.239 120.500 -0.064 0.000 2.200 196 R HA 0.332 4.674 4.340 0.005 0.000 0.208 196 R C 0.841 177.110 176.300 -0.052 0.000 1.033 196 R CA 0.761 56.820 56.100 -0.069 0.000 1.000 196 R CB 0.451 30.701 30.300 -0.084 0.000 0.906 196 R HN 0.815 nan 8.270 nan 0.000 0.462 197 G N -1.893 106.907 108.800 -0.001 0.000 2.716 197 G HA2 0.430 4.393 3.960 0.005 0.000 0.299 197 G HA3 0.430 4.393 3.960 0.005 0.000 0.299 197 G C -0.646 174.253 174.900 -0.001 0.000 1.450 197 G CA -0.273 44.825 45.100 -0.003 0.000 0.968 197 G HN 0.222 nan 8.290 nan 0.000 0.566 198 G N -0.487 108.286 108.800 -0.044 0.000 2.919 198 G HA2 0.442 4.404 3.960 0.005 0.000 0.225 198 G HA3 0.442 4.404 3.960 0.005 0.000 0.225 198 G C 0.426 175.311 174.900 -0.025 0.000 1.117 198 G CA 0.140 45.159 45.100 -0.136 0.000 1.033 198 G HN 1.780 nan 8.290 nan 0.000 0.532 199 G N -0.750 108.060 108.800 0.016 0.000 2.388 199 G HA2 0.774 4.737 3.960 0.005 0.000 0.330 199 G HA3 0.774 4.737 3.960 0.005 0.000 0.330 199 G C 1.027 175.936 174.900 0.014 0.000 1.142 199 G CA 0.180 45.336 45.100 0.092 0.000 0.908 199 G HN 1.523 nan 8.290 nan 0.000 0.473 200 A N 0.867 123.666 122.820 -0.035 0.000 2.272 200 A HA 0.261 4.583 4.320 0.005 0.000 0.213 200 A C 1.369 178.848 177.584 -0.174 0.000 1.183 200 A CA 0.931 52.869 52.037 -0.165 0.000 0.719 200 A CB -0.424 18.328 19.000 -0.415 0.000 0.771 200 A HN 1.619 nan 8.150 nan 0.000 0.484 201 V N -1.796 118.003 119.914 -0.192 0.000 6.086 201 V HA -0.260 3.863 4.120 0.005 0.000 0.331 201 V C 1.169 177.020 176.094 -0.406 0.000 0.467 201 V CA 1.822 64.024 62.300 -0.164 0.000 0.678 201 V CB -2.289 29.515 31.823 -0.032 0.000 0.318 201 V HN 1.011 nan 8.190 nan 0.000 1.180 202 R N -1.830 118.241 120.500 -0.714 0.000 2.637 202 R HA 0.246 4.588 4.340 0.005 0.000 0.262 202 R C -0.215 175.553 176.300 -0.886 0.000 0.959 202 R CA 0.357 55.646 56.100 -1.351 0.000 1.061 202 R CB 0.608 30.385 30.300 -0.872 0.000 1.610 202 R HN 0.347 nan 8.270 nan 0.000 0.548 203 Y N 0.379 120.438 120.300 -0.402 0.000 2.328 203 Y HA 0.825 5.378 4.550 0.004 0.000 0.337 203 Y C 0.659 176.420 175.900 -0.232 0.000 0.966 203 Y CA -0.546 57.388 58.100 -0.277 0.000 1.136 203 Y CB 1.903 40.239 38.460 -0.207 0.000 1.170 203 Y HN 0.350 nan 8.280 nan 0.000 0.470 204 G N 3.192 111.961 108.800 -0.052 0.000 2.325 204 G HA2 0.196 4.159 3.960 0.005 0.000 0.295 204 G HA3 0.196 4.159 3.960 0.005 0.000 0.295 204 G C -2.491 172.319 174.900 -0.150 0.000 1.274 204 G CA -0.781 44.264 45.100 -0.090 0.000 0.857 204 G HN 0.225 nan 8.290 nan 0.000 0.499 205 P HA 0.015 nan 4.420 nan 0.000 0.216 205 P C 0.723 177.994 177.300 -0.049 0.000 1.156 205 P CA 0.755 63.823 63.100 -0.053 0.000 0.855 205 P CB 0.225 31.946 31.700 0.036 0.000 0.786 206 Q N 1.151 120.889 119.800 -0.103 0.000 2.216 206 Q HA 0.004 4.347 4.340 0.005 0.000 0.175 206 Q C 1.380 177.322 176.000 -0.097 0.000 0.816 206 Q CA 0.454 56.201 55.803 -0.093 0.000 1.016 206 Q CB -0.545 28.109 28.738 -0.140 0.000 1.400 206 Q HN 0.361 nan 8.270 nan 0.000 0.373 207 S N -2.106 113.545 115.700 -0.081 0.000 2.453 207 S HA -0.107 4.366 4.470 0.005 0.000 0.231 207 S C 1.804 176.348 174.600 -0.093 0.000 1.005 207 S CA 0.668 58.816 58.200 -0.087 0.000 0.949 207 S CB -0.240 62.920 63.200 -0.066 0.000 0.774 207 S HN 0.374 nan 8.310 nan 0.000 0.510 208 V N 2.670 122.525 119.914 -0.099 0.000 2.363 208 V HA -0.140 3.982 4.120 0.005 0.000 0.254 208 V C 1.926 177.949 176.094 -0.118 0.000 1.074 208 V CA 2.227 64.443 62.300 -0.139 0.000 1.069 208 V CB -1.247 30.462 31.823 -0.190 0.000 0.659 208 V HN 0.668 nan 8.190 nan 0.000 0.455 209 G N -1.356 107.398 108.800 -0.077 0.000 3.383 209 G HA2 0.489 4.452 3.960 0.005 0.000 0.251 209 G HA3 0.489 4.452 3.960 0.005 0.000 0.251 209 G C 0.614 175.480 174.900 -0.057 0.000 1.203 209 G CA 0.555 45.604 45.100 -0.084 0.000 0.852 209 G HN 1.524 nan 8.290 nan 0.000 0.531 210 G N -1.531 107.225 108.800 -0.072 0.000 2.690 210 G HA2 0.105 4.068 3.960 0.005 0.000 0.686 210 G HA3 0.105 4.068 3.960 0.005 0.000 0.686 210 G C -0.819 174.024 174.900 -0.095 0.000 1.277 210 G CA -0.282 44.787 45.100 -0.052 0.000 0.799 210 G HN 1.033 nan 8.290 nan 0.000 0.613 211 V N 1.970 121.784 119.914 -0.167 0.000 2.350 211 V HA 0.643 4.766 4.120 0.005 0.000 0.285 211 V C 0.085 175.938 176.094 -0.403 0.000 1.014 211 V CA -0.583 61.537 62.300 -0.299 0.000 0.831 211 V CB 1.298 32.924 31.823 -0.329 0.000 1.000 211 V HN 1.124 nan 8.190 nan 0.000 0.433 212 V N 6.723 126.337 119.914 -0.499 0.000 2.398 212 V HA 0.551 4.674 4.120 0.005 0.000 0.286 212 V C -0.178 175.455 176.094 -0.768 0.000 1.026 212 V CA -0.512 61.376 62.300 -0.687 0.000 0.868 212 V CB 1.894 33.165 31.823 -0.920 0.000 0.982 212 V HN 0.943 nan 8.190 nan 0.000 0.443 213 N N 3.892 122.137 118.700 -0.758 0.000 2.352 213 N HA 0.528 5.271 4.740 0.005 0.000 0.291 213 N C -1.472 173.682 175.510 -0.593 0.000 1.040 213 N CA -0.451 52.226 53.050 -0.621 0.000 0.864 213 N CB 1.296 39.491 38.487 -0.487 0.000 1.440 213 N HN 0.308 nan 8.380 nan 0.000 0.483 214 F N 2.178 121.990 119.950 -0.230 0.000 2.410 214 F HA 0.382 4.912 4.527 0.004 0.000 0.349 214 F C 0.186 175.908 175.800 -0.130 0.000 1.117 214 F CA -0.829 57.065 58.000 -0.177 0.000 1.104 214 F CB 1.372 40.259 39.000 -0.188 0.000 1.122 214 F HN 0.096 nan 8.300 nan 0.000 0.483 215 V N 3.008 122.971 119.914 0.082 0.000 2.320 215 V HA 0.197 4.320 4.120 0.005 0.000 0.265 215 V C 0.198 176.317 176.094 0.042 0.000 1.048 215 V CA -0.968 61.351 62.300 0.032 0.000 0.865 215 V CB 0.412 32.236 31.823 0.003 0.000 1.043 215 V HN 0.859 nan 8.190 nan 0.000 0.474 216 T N 3.783 118.351 114.554 0.023 0.000 2.928 216 T HA 0.226 4.579 4.350 0.005 0.000 0.305 216 T C 0.486 175.186 174.700 0.001 0.000 1.035 216 T CA -0.735 61.370 62.100 0.009 0.000 1.145 216 T CB 0.310 69.179 68.868 0.002 0.000 0.963 216 T HN 0.572 nan 8.240 nan 0.000 0.545 217 R N 1.655 122.152 120.500 -0.005 0.000 2.505 217 R HA 0.148 4.491 4.340 0.005 0.000 0.274 217 R C 0.798 177.084 176.300 -0.024 0.000 0.955 217 R CA 0.168 56.256 56.100 -0.020 0.000 1.109 217 R CB -0.258 30.026 30.300 -0.027 0.000 0.890 217 R HN 0.937 nan 8.270 nan 0.000 0.415 218 A N 4.366 127.167 122.820 -0.031 0.000 2.462 218 A HA 0.176 4.498 4.320 0.005 0.000 0.243 218 A C 0.748 178.310 177.584 -0.036 0.000 1.076 218 A CA -0.391 51.628 52.037 -0.030 0.000 0.773 218 A CB 0.197 19.178 19.000 -0.032 0.000 1.010 218 A HN 0.691 nan 8.150 nan 0.000 0.493 219 I N 3.187 123.737 120.570 -0.033 0.000 2.618 219 I HA 0.094 4.267 4.170 0.005 0.000 0.284 219 I C -1.737 174.357 176.117 -0.039 0.000 1.146 219 I CA -1.233 60.042 61.300 -0.042 0.000 1.425 219 I CB 0.748 38.719 38.000 -0.049 0.000 1.383 219 I HN 0.488 nan 8.210 nan 0.000 0.562 220 P HA 0.128 nan 4.420 nan 0.000 0.272 220 P C 0.438 177.735 177.300 -0.006 0.000 1.223 220 P CA -0.040 63.035 63.100 -0.042 0.000 0.784 220 P CB 0.627 32.274 31.700 -0.089 0.000 0.923 221 Q N 1.858 121.665 119.800 0.011 0.000 1.806 221 Q HA -0.205 4.138 4.340 0.005 0.000 0.277 221 Q C 1.614 177.653 176.000 0.065 0.000 0.993 221 Q CA 2.520 58.343 55.803 0.034 0.000 0.888 221 Q CB -1.666 27.091 28.738 0.032 0.000 0.941 221 Q HN 0.662 nan 8.270 nan 0.000 0.420 222 D N -1.784 118.668 120.400 0.087 0.000 2.041 222 D HA 0.291 4.934 4.640 0.005 0.000 0.263 222 D C 0.012 176.439 176.300 0.213 0.000 1.038 222 D CA 0.889 54.970 54.000 0.135 0.000 0.903 222 D CB 0.057 40.935 40.800 0.129 0.000 1.013 222 D HN 0.413 nan 8.370 nan 0.000 0.408 223 F N -1.179 118.790 119.950 0.031 0.000 2.599 223 F HA 0.632 5.162 4.527 0.005 0.000 0.311 223 F C -0.329 175.498 175.800 0.046 0.000 1.076 223 F CA -0.118 57.904 58.000 0.037 0.000 0.937 223 F CB 2.064 41.088 39.000 0.039 0.000 1.282 223 F HN 0.214 nan 8.300 nan 0.000 0.460 224 G N 4.006 112.199 108.800 -1.012 0.000 2.623 224 G HA2 0.609 4.572 3.960 0.005 0.000 0.290 224 G HA3 0.609 4.572 3.960 0.005 0.000 0.290 224 G C -2.326 172.151 174.900 -0.704 0.000 1.437 224 G CA -0.757 43.932 45.100 -0.685 0.000 0.798 224 G HN 0.747 nan 8.290 nan 0.000 0.488 225 I N 0.791 121.191 120.570 -0.283 0.000 2.571 225 I HA 0.311 4.484 4.170 0.005 0.000 0.286 225 I C -0.884 175.141 176.117 -0.153 0.000 1.134 225 I CA -0.475 60.724 61.300 -0.169 0.000 1.052 225 I CB 2.376 40.367 38.000 -0.014 0.000 1.237 225 I HN 0.472 nan 8.210 nan 0.000 0.435 226 E N 4.716 124.829 120.200 -0.146 0.000 2.277 226 E HA 0.870 5.223 4.350 0.005 0.000 0.266 226 E C -0.993 175.531 176.600 -0.127 0.000 0.901 226 E CA -0.975 55.337 56.400 -0.146 0.000 0.782 226 E CB 3.079 32.715 29.700 -0.106 0.000 1.228 226 E HN 0.617 nan 8.360 nan 0.000 0.424 227 A N 1.114 123.854 122.820 -0.133 0.000 2.513 227 A HA 0.748 5.071 4.320 0.005 0.000 0.296 227 A C -0.840 176.704 177.584 -0.066 0.000 1.052 227 A CA -0.279 51.708 52.037 -0.084 0.000 0.714 227 A CB 1.866 20.803 19.000 -0.106 0.000 1.279 227 A HN 0.607 nan 8.150 nan 0.000 0.397 228 G N -0.475 108.311 108.800 -0.024 0.000 2.690 228 G HA2 0.774 4.737 3.960 0.005 0.000 0.293 228 G HA3 0.774 4.737 3.960 0.005 0.000 0.293 228 G C -1.650 173.259 174.900 0.016 0.000 1.399 228 G CA -0.195 44.894 45.100 -0.018 0.000 0.890 228 G HN 1.861 nan 8.290 nan 0.000 0.485 229 V N -0.401 119.516 119.914 0.006 0.000 3.159 229 V HA 0.916 5.039 4.120 0.005 0.000 0.308 229 V C -1.540 174.552 176.094 -0.004 0.000 1.190 229 V CA -0.801 61.514 62.300 0.026 0.000 1.037 229 V CB 2.262 34.103 31.823 0.029 0.000 1.060 229 V HN 0.978 nan 8.190 nan 0.000 0.437 230 E N 2.060 122.260 120.200 -0.000 0.000 2.321 230 E HA 0.656 5.008 4.350 0.005 0.000 0.281 230 E C -0.946 175.659 176.600 0.008 0.000 0.910 230 E CA -0.369 56.022 56.400 -0.014 0.000 0.770 230 E CB 1.993 31.659 29.700 -0.057 0.000 1.225 230 E HN 1.070 nan 8.360 nan 0.000 0.417 231 G N 2.816 111.633 108.800 0.027 0.000 2.452 231 G HA2 0.551 4.514 3.960 0.005 0.000 0.324 231 G HA3 0.551 4.514 3.960 0.005 0.000 0.324 231 G C -1.081 173.879 174.900 0.099 0.000 1.214 231 G CA -0.342 44.786 45.100 0.046 0.000 0.947 231 G HN 0.432 nan 8.290 nan 0.000 0.478 232 Q N 0.144 120.004 119.800 0.101 0.000 2.423 232 Q HA 0.700 5.042 4.340 0.005 0.000 0.278 232 Q C -1.173 174.897 176.000 0.117 0.000 1.097 232 Q CA -0.708 55.186 55.803 0.153 0.000 0.809 232 Q CB 3.362 32.192 28.738 0.153 0.000 1.391 232 Q HN 0.390 nan 8.270 nan 0.000 0.428 233 L N 0.331 121.629 121.223 0.126 0.000 2.434 233 L HA 0.558 4.900 4.340 0.005 0.000 0.260 233 L C -1.126 175.795 176.870 0.085 0.000 0.983 233 L CA -0.597 54.294 54.840 0.084 0.000 0.820 233 L CB 2.761 44.855 42.059 0.058 0.000 1.361 233 L HN 0.603 nan 8.230 nan 0.000 0.410 234 S N 2.668 118.394 115.700 0.042 0.000 2.399 234 S HA 0.280 4.753 4.470 0.005 0.000 0.215 234 S C -2.024 172.520 174.600 -0.093 0.000 1.456 234 S CA -0.972 57.231 58.200 0.005 0.000 1.199 234 S CB 1.503 64.728 63.200 0.043 0.000 1.063 234 S HN 0.421 nan 8.310 nan 0.000 0.476 235 P HA -0.172 nan 4.420 nan 0.000 0.214 235 P C 1.732 178.966 177.300 -0.111 0.000 1.169 235 P CA 1.396 64.462 63.100 -0.056 0.000 0.908 235 P CB -0.174 31.523 31.700 -0.004 0.000 0.791 236 T N -3.414 111.091 114.554 -0.082 0.000 3.541 236 T HA 0.048 4.401 4.350 0.005 0.000 0.255 236 T C 0.574 175.067 174.700 -0.346 0.000 1.158 236 T CA -0.015 62.057 62.100 -0.046 0.000 1.000 236 T CB -0.999 67.952 68.868 0.138 0.000 1.008 236 T HN -0.012 nan 8.240 nan 0.000 0.568 237 S N 0.024 115.270 115.700 -0.757 0.000 2.607 237 S HA 0.502 4.975 4.470 0.005 0.000 0.303 237 S C 1.259 175.395 174.600 -0.773 0.000 1.086 237 S CA -0.207 57.008 58.200 -1.641 0.000 0.995 237 S CB 1.721 63.992 63.200 -1.549 0.000 1.084 237 S HN 0.465 nan 8.310 nan 0.000 0.507 238 S N 1.822 117.111 115.700 -0.685 0.000 2.603 238 S HA 0.015 4.488 4.470 0.005 0.000 0.229 238 S C 0.529 175.046 174.600 -0.139 0.000 0.972 238 S CA 0.269 58.354 58.200 -0.193 0.000 0.935 238 S CB -0.354 62.865 63.200 0.032 0.000 0.769 238 S HN 0.677 nan 8.310 nan 0.000 0.536 239 Q N 1.881 121.555 119.800 -0.211 0.000 2.377 239 Q HA 0.416 4.759 4.340 0.005 0.000 0.249 239 Q C 0.069 176.009 176.000 -0.100 0.000 1.005 239 Q CA 0.018 55.756 55.803 -0.108 0.000 0.912 239 Q CB 0.191 28.880 28.738 -0.082 0.000 1.223 239 Q HN 0.487 nan 8.270 nan 0.000 0.459 240 N N 2.756 121.421 118.700 -0.058 0.000 2.368 240 N HA 0.038 4.781 4.740 0.005 0.000 0.178 240 N C -0.381 175.118 175.510 -0.020 0.000 1.021 240 N CA -0.108 52.917 53.050 -0.041 0.000 0.875 240 N CB 0.246 38.716 38.487 -0.028 0.000 1.020 240 N HN 0.491 nan 8.380 nan 0.000 0.433 241 N N 3.082 121.774 118.700 -0.013 0.000 2.411 241 N HA 0.048 4.791 4.740 0.005 0.000 0.261 241 N C -2.250 173.259 175.510 -0.002 0.000 1.248 241 N CA -0.250 52.797 53.050 -0.004 0.000 0.885 241 N CB 0.414 38.899 38.487 -0.003 0.000 1.062 241 N HN 0.246 nan 8.380 nan 0.000 0.471 242 P HA 0.197 nan 4.420 nan 0.000 0.279 242 P C -0.750 176.561 177.300 0.018 0.000 1.276 242 P CA -0.467 62.645 63.100 0.021 0.000 0.801 242 P CB 1.098 32.816 31.700 0.030 0.000 1.127 243 K N 0.743 121.159 120.400 0.027 0.000 2.389 243 K HA 0.268 4.591 4.320 0.005 0.000 0.261 243 K C -0.216 176.397 176.600 0.021 0.000 1.014 243 K CA -0.466 55.830 56.287 0.015 0.000 0.920 243 K CB 0.427 32.931 32.500 0.007 0.000 1.149 243 K HN 0.344 nan 8.250 nan 0.000 0.444 244 E N 2.164 122.381 120.200 0.028 0.000 2.250 244 E HA 0.454 4.807 4.350 0.005 0.000 0.269 244 E C -0.970 175.651 176.600 0.035 0.000 1.018 244 E CA -0.575 55.855 56.400 0.049 0.000 0.873 244 E CB 1.609 31.358 29.700 0.082 0.000 1.134 244 E HN 0.493 nan 8.360 nan 0.000 0.403 245 T N -0.210 114.366 114.554 0.036 0.000 2.868 245 T HA 0.672 5.025 4.350 0.005 0.000 0.306 245 T C -0.960 173.734 174.700 -0.010 0.000 1.224 245 T CA -0.953 61.095 62.100 -0.086 0.000 1.012 245 T CB 1.215 70.011 68.868 -0.120 0.000 1.221 245 T HN 0.885 nan 8.240 nan 0.000 0.499 246 H N -0.081 118.927 119.070 -0.104 0.000 3.060 246 H HA 0.510 5.069 4.556 0.005 0.000 0.330 246 H C -1.856 173.376 175.328 -0.159 0.000 1.305 246 H CA -0.970 55.023 56.048 -0.092 0.000 1.209 246 H CB 1.200 30.940 29.762 -0.037 0.000 1.913 246 H HN 0.850 nan 8.280 nan 0.000 0.534 247 N N 1.837 120.535 118.700 -0.002 0.000 2.229 247 N HA 0.500 5.242 4.740 0.005 0.000 0.298 247 N C -1.556 173.985 175.510 0.051 0.000 1.114 247 N CA -0.774 52.239 53.050 -0.062 0.000 0.776 247 N CB 3.231 41.670 38.487 -0.080 0.000 1.501 247 N HN 0.504 nan 8.380 nan 0.000 0.474 248 L N 0.502 121.786 121.223 0.102 0.000 2.408 248 L HA 0.882 5.224 4.340 0.005 0.000 0.268 248 L C -0.958 175.954 176.870 0.070 0.000 0.986 248 L CA -0.441 54.468 54.840 0.115 0.000 0.820 248 L CB 1.634 43.830 42.059 0.228 0.000 1.303 248 L HN 0.882 nan 8.230 nan 0.000 0.411 249 M N 4.689 124.290 119.600 0.002 0.000 2.204 249 M HA 0.835 5.318 4.480 0.005 0.000 0.293 249 M C -1.727 174.530 176.300 -0.071 0.000 0.994 249 M CA -0.505 54.779 55.300 -0.027 0.000 0.925 249 M CB 1.604 nan 32.600 nan 0.000 1.577 249 M HN 0.364 nan 8.290 nan 0.000 0.439 250 V N 2.684 122.560 119.914 -0.063 0.000 2.668 250 V HA 1.016 5.139 4.120 0.005 0.000 0.304 250 V C 0.262 176.297 176.094 -0.099 0.000 1.071 250 V CA 0.032 62.265 62.300 -0.111 0.000 0.894 250 V CB 1.438 33.256 31.823 -0.009 0.000 1.008 250 V HN 1.917 nan 8.190 nan 0.000 0.425 251 G N 2.325 111.001 108.800 -0.206 0.000 2.322 251 G HA2 0.766 4.729 3.960 0.005 0.000 0.295 251 G HA3 0.766 4.729 3.960 0.005 0.000 0.295 251 G C -0.588 174.255 174.900 -0.094 0.000 1.369 251 G CA 0.471 45.522 45.100 -0.081 0.000 0.821 251 G HN 1.436 nan 8.290 nan 0.000 0.536 252 G N -2.031 106.786 108.800 0.028 0.000 2.320 252 G HA2 0.694 4.657 3.960 0.005 0.000 0.296 252 G HA3 0.694 4.657 3.960 0.005 0.000 0.296 252 G C -1.219 173.727 174.900 0.076 0.000 1.306 252 G CA 0.527 45.679 45.100 0.086 0.000 0.836 252 G HN 1.406 nan 8.290 nan 0.000 0.517 253 T N 0.116 114.730 114.554 0.100 0.000 2.881 253 T HA 0.735 5.088 4.350 0.005 0.000 0.291 253 T C 0.293 175.070 174.700 0.130 0.000 0.990 253 T CA 0.254 62.406 62.100 0.087 0.000 0.976 253 T CB 1.473 70.377 68.868 0.061 0.000 0.970 253 T HN 1.508 nan 8.240 nan 0.000 0.438 254 A N 1.840 124.759 122.820 0.165 0.000 2.332 254 A HA 0.429 4.752 4.320 0.005 0.000 0.258 254 A C 0.874 178.545 177.584 0.145 0.000 1.087 254 A CA -0.511 51.616 52.037 0.150 0.000 0.802 254 A CB -0.082 19.015 19.000 0.162 0.000 1.042 254 A HN 0.854 nan 8.150 nan 0.000 0.489 255 D N 0.573 121.040 120.400 0.112 0.000 2.351 255 D HA -0.151 4.492 4.640 0.005 0.000 0.216 255 D C 1.336 177.714 176.300 0.129 0.000 0.968 255 D CA 1.392 55.455 54.000 0.105 0.000 0.899 255 D CB -0.035 40.811 40.800 0.076 0.000 0.907 255 D HN 0.680 nan 8.370 nan 0.000 0.514 256 N N 0.348 119.139 118.700 0.153 0.000 2.521 256 N HA -0.038 4.704 4.740 0.005 0.000 0.188 256 N C 1.329 177.024 175.510 0.309 0.000 1.146 256 N CA 0.957 54.119 53.050 0.186 0.000 0.893 256 N CB 0.070 38.643 38.487 0.143 0.000 0.975 256 N HN 0.217 nan 8.380 nan 0.000 0.451 257 G N -0.428 108.552 108.800 0.299 0.000 2.131 257 G HA2 -0.241 3.722 3.960 0.005 0.000 0.223 257 G HA3 -0.241 3.722 3.960 0.005 0.000 0.223 257 G C -0.563 174.672 174.900 0.559 0.000 0.990 257 G CA 0.096 45.415 45.100 0.364 0.000 0.671 257 G HN 0.467 nan 8.290 nan 0.000 0.521 258 F N 1.062 121.165 119.950 0.253 0.000 2.492 258 F HA 0.751 5.280 4.527 0.005 0.000 0.327 258 F C 0.426 176.292 175.800 0.109 0.000 1.079 258 F CA 0.130 58.220 58.000 0.151 0.000 0.967 258 F CB 2.004 40.936 39.000 -0.113 0.000 1.169 258 F HN 0.392 nan 8.300 nan 0.000 0.472 259 G N 1.781 110.100 108.800 -0.801 0.000 2.690 259 G HA2 0.616 4.579 3.960 0.005 0.000 0.293 259 G HA3 0.616 4.579 3.960 0.005 0.000 0.293 259 G C -1.834 172.683 174.900 -0.638 0.000 1.399 259 G CA -0.793 44.020 45.100 -0.478 0.000 0.890 259 G HN 0.707 nan 8.290 nan 0.000 0.485 260 T N -0.602 113.797 114.554 -0.258 0.000 3.012 260 T HA 0.715 5.068 4.350 0.005 0.000 0.330 260 T C -0.801 173.872 174.700 -0.045 0.000 1.321 260 T CA 0.021 62.034 62.100 -0.145 0.000 1.067 260 T CB 1.753 70.596 68.868 -0.042 0.000 1.235 260 T HN 1.474 nan 8.240 nan 0.000 0.479 261 A N 2.697 125.500 122.820 -0.029 0.000 2.393 261 A HA 0.827 5.150 4.320 0.005 0.000 0.306 261 A C -1.449 176.143 177.584 0.013 0.000 1.050 261 A CA -0.647 51.380 52.037 -0.016 0.000 0.724 261 A CB 1.367 20.349 19.000 -0.030 0.000 1.248 261 A HN 0.697 nan 8.150 nan 0.000 0.424 262 L N 3.847 125.084 121.223 0.022 0.000 2.295 262 L HA 0.544 4.887 4.340 0.005 0.000 0.281 262 L C -1.453 175.453 176.870 0.060 0.000 1.018 262 L CA -0.343 54.527 54.840 0.049 0.000 0.841 262 L CB 0.383 42.471 42.059 0.049 0.000 1.218 262 L HN 0.712 nan 8.230 nan 0.000 0.424 263 L N 6.288 127.557 121.223 0.076 0.000 2.287 263 L HA 0.406 4.749 4.340 0.005 0.000 0.287 263 L C -1.117 175.844 176.870 0.152 0.000 1.022 263 L CA -0.610 54.276 54.840 0.078 0.000 0.814 263 L CB 1.568 43.649 42.059 0.037 0.000 1.217 263 L HN 0.475 nan 8.230 nan 0.000 0.420 264 Y N 2.755 123.057 120.300 0.003 0.000 2.477 264 Y HA 0.668 5.221 4.550 0.005 0.000 0.347 264 Y C -0.736 175.158 175.900 -0.010 0.000 0.981 264 Y CA -0.691 57.414 58.100 0.009 0.000 1.033 264 Y CB 2.307 40.784 38.460 0.028 0.000 1.245 264 Y HN 0.509 nan 8.280 nan 0.000 0.455 265 S N 2.957 118.071 115.700 -0.975 0.000 2.546 265 S HA 0.874 5.346 4.470 0.005 0.000 0.272 265 S C -1.000 172.956 174.600 -1.074 0.000 1.140 265 S CA -0.035 57.647 58.200 -0.863 0.000 0.920 265 S CB 1.332 64.289 63.200 -0.405 0.000 1.083 265 S HN 1.296 nan 8.310 nan 0.000 0.476 266 G N 1.597 109.795 108.800 -1.002 0.000 2.720 266 G HA2 0.638 4.600 3.960 0.005 0.000 0.295 266 G HA3 0.638 4.600 3.960 0.005 0.000 0.295 266 G C -1.492 173.004 174.900 -0.673 0.000 1.437 266 G CA -0.433 44.237 45.100 -0.717 0.000 0.886 266 G HN 0.660 nan 8.290 nan 0.000 0.509 267 T N 1.225 115.575 114.554 -0.340 0.000 2.876 267 T HA 0.800 5.152 4.350 0.005 0.000 0.289 267 T C -0.600 174.052 174.700 -0.080 0.000 1.014 267 T CA -0.776 61.200 62.100 -0.205 0.000 0.986 267 T CB 1.846 70.620 68.868 -0.157 0.000 1.021 267 T HN 0.477 nan 8.240 nan 0.000 0.458 268 R N 0.892 121.380 120.500 -0.020 0.000 2.668 268 R HA 0.821 5.163 4.340 0.005 0.000 0.272 268 R C -0.034 176.269 176.300 0.004 0.000 1.019 268 R CA -0.598 55.509 56.100 0.012 0.000 0.894 268 R CB 1.913 32.251 30.300 0.063 0.000 1.228 268 R HN 1.116 nan 8.270 nan 0.000 0.460 269 G N 0.443 109.240 108.800 -0.006 0.000 2.384 269 G HA2 -0.039 3.924 3.960 0.005 0.000 0.668 269 G HA3 -0.039 3.924 3.960 0.005 0.000 0.668 269 G C -1.406 173.476 174.900 -0.031 0.000 1.280 269 G CA -0.742 44.352 45.100 -0.011 0.000 0.992 269 G HN 0.538 nan 8.290 nan 0.000 0.512 270 S N 0.031 115.709 115.700 -0.036 0.000 2.570 270 S HA 0.750 5.223 4.470 0.005 0.000 0.286 270 S C -0.197 174.353 174.600 -0.082 0.000 1.099 270 S CA -0.126 58.035 58.200 -0.064 0.000 0.913 270 S CB 2.006 65.177 63.200 -0.049 0.000 1.085 270 S HN 1.123 nan 8.310 nan 0.000 0.480 271 D N -0.022 120.276 120.400 -0.170 0.000 2.475 271 D HA 0.199 4.842 4.640 0.005 0.000 0.286 271 D C 0.916 177.119 176.300 -0.162 0.000 1.205 271 D CA -0.727 53.138 54.000 -0.225 0.000 1.092 271 D CB -0.239 40.207 40.800 -0.589 0.000 1.147 271 D HN 0.690 nan 8.370 nan 0.000 0.575 272 W N -0.987 120.345 121.300 0.053 0.000 3.216 272 W HA 0.250 4.913 4.660 0.004 0.000 0.247 272 W C 0.060 176.684 176.519 0.174 0.000 1.326 272 W CA -0.751 56.615 57.345 0.036 0.000 1.564 272 W CB -0.333 29.195 29.460 0.113 0.000 1.113 272 W HN -0.107 nan 8.180 nan 0.000 0.722 273 R N 1.398 121.827 120.500 -0.118 0.000 2.740 273 R HA 0.174 4.516 4.340 0.005 0.000 0.282 273 R C 0.265 176.603 176.300 0.064 0.000 0.969 273 R CA -0.955 55.204 56.100 0.098 0.000 0.918 273 R CB 1.617 31.918 30.300 0.002 0.000 1.175 273 R HN -0.113 nan 8.270 nan 0.000 0.464 274 E N 1.207 121.491 120.200 0.140 0.000 2.408 274 E HA -0.031 4.322 4.350 0.005 0.000 0.259 274 E C -0.274 176.417 176.600 0.151 0.000 1.110 274 E CA 0.274 56.742 56.400 0.113 0.000 0.929 274 E CB 0.262 30.033 29.700 0.118 0.000 0.971 274 E HN 0.594 nan 8.360 nan 0.000 0.438 275 H N -0.202 118.871 119.070 0.006 0.000 2.827 275 H HA -0.179 4.380 4.556 0.004 0.000 0.330 275 H C -0.095 175.238 175.328 0.007 0.000 1.236 275 H CA 0.758 56.812 56.048 0.010 0.000 1.165 275 H CB -1.387 28.383 29.762 0.012 0.000 1.532 275 H HN 0.365 nan 8.280 nan 0.000 0.434 276 S N -0.729 114.922 115.700 -0.081 0.000 2.893 276 S HA 0.521 4.994 4.470 0.005 0.000 0.258 276 S C 0.877 175.415 174.600 -0.102 0.000 1.034 276 S CA -0.049 58.081 58.200 -0.115 0.000 1.167 276 S CB 0.369 63.485 63.200 -0.139 0.000 1.137 276 S HN 0.877 nan 8.310 nan 0.000 0.650 277 A N 2.098 124.863 122.820 -0.093 0.000 2.532 277 A HA 0.433 4.755 4.320 0.005 0.000 0.269 277 A C 0.405 177.957 177.584 -0.052 0.000 1.079 277 A CA 0.560 52.562 52.037 -0.059 0.000 0.800 277 A CB -0.633 18.343 19.000 -0.040 0.000 1.000 277 A HN 0.419 nan 8.150 nan 0.000 0.522 278 T N 3.457 117.985 114.554 -0.043 0.000 2.895 278 T HA 0.617 4.970 4.350 0.005 0.000 0.283 278 T C 0.066 174.746 174.700 -0.034 0.000 1.014 278 T CA -0.559 61.520 62.100 -0.035 0.000 1.037 278 T CB 1.002 69.849 68.868 -0.036 0.000 1.006 278 T HN 0.620 nan 8.240 nan 0.000 0.468 279 R N 3.373 123.850 120.500 -0.038 0.000 2.500 279 R HA 0.415 4.757 4.340 0.005 0.000 0.299 279 R C -1.805 174.443 176.300 -0.087 0.000 1.038 279 R CA -0.505 55.568 56.100 -0.045 0.000 0.903 279 R CB 0.453 30.735 30.300 -0.031 0.000 1.177 279 R HN 0.516 nan 8.270 nan 0.000 0.455 280 I N 3.078 123.572 120.570 -0.126 0.000 2.545 280 I HA 0.448 4.621 4.170 0.005 0.000 0.292 280 I C -0.614 175.361 176.117 -0.236 0.000 1.040 280 I CA -0.664 60.490 61.300 -0.243 0.000 1.068 280 I CB 2.277 40.122 38.000 -0.259 0.000 1.251 280 I HN 0.441 nan 8.210 nan 0.000 0.424 281 D N 3.972 124.186 120.400 -0.310 0.000 2.476 281 D HA 0.184 4.827 4.640 0.005 0.000 0.251 281 D C -1.210 174.970 176.300 -0.200 0.000 1.291 281 D CA -0.178 53.763 54.000 -0.097 0.000 0.939 281 D CB 2.535 43.386 40.800 0.085 0.000 1.221 281 D HN 0.397 nan 8.370 nan 0.000 0.567 282 D N 2.846 123.162 120.400 -0.140 0.000 2.460 282 D HA 0.287 4.930 4.640 0.005 0.000 0.232 282 D C -1.101 175.303 176.300 0.173 0.000 1.079 282 D CA -0.556 53.427 54.000 -0.029 0.000 0.864 282 D CB 0.945 41.723 40.800 -0.036 0.000 1.048 282 D HN 0.136 nan 8.370 nan 0.000 0.523 283 L N 4.531 125.917 121.223 0.272 0.000 2.296 283 L HA 0.561 4.904 4.340 0.005 0.000 0.286 283 L C -1.019 175.983 176.870 0.219 0.000 1.023 283 L CA -0.219 54.807 54.840 0.309 0.000 0.812 283 L CB 1.161 43.399 42.059 0.298 0.000 1.223 283 L HN 0.370 nan 8.230 nan 0.000 0.421 284 M N 5.789 125.492 119.600 0.170 0.000 2.457 284 M HA 0.421 4.904 4.480 0.005 0.000 0.300 284 M C -1.562 174.797 176.300 0.099 0.000 1.141 284 M CA -0.759 54.614 55.300 0.122 0.000 0.901 284 M CB 2.410 35.061 32.600 0.084 0.000 1.687 284 M HN 0.427 nan 8.290 nan 0.000 0.449 285 L N 3.527 124.805 121.223 0.092 0.000 2.353 285 L HA 0.444 4.787 4.340 0.005 0.000 0.270 285 L C -0.732 176.178 176.870 0.067 0.000 1.003 285 L CA -0.026 54.861 54.840 0.078 0.000 0.862 285 L CB 0.858 42.968 42.059 0.086 0.000 1.221 285 L HN 0.576 nan 8.230 nan 0.000 0.430 286 K N 2.974 123.400 120.400 0.043 0.000 2.263 286 K HA 0.634 4.957 4.320 0.005 0.000 0.272 286 K C -0.865 175.729 176.600 -0.009 0.000 1.033 286 K CA -0.196 56.107 56.287 0.027 0.000 0.884 286 K CB 0.802 33.310 32.500 0.014 0.000 1.107 286 K HN 0.621 nan 8.250 nan 0.000 0.460 287 S N 3.191 118.890 115.700 -0.002 0.000 2.536 287 S HA 0.492 4.964 4.470 0.005 0.000 0.298 287 S C -1.254 173.309 174.600 -0.062 0.000 1.083 287 S CA -0.859 57.286 58.200 -0.092 0.000 0.995 287 S CB 1.799 64.995 63.200 -0.006 0.000 1.058 287 S HN 0.623 nan 8.310 nan 0.000 0.488 288 K N 1.164 121.448 120.400 -0.195 0.000 2.508 288 K HA 0.522 4.845 4.320 0.005 0.000 0.260 288 K C -2.366 174.275 176.600 0.069 0.000 0.949 288 K CA -0.654 55.631 56.287 -0.003 0.000 0.834 288 K CB 1.748 34.247 32.500 -0.002 0.000 1.365 288 K HN 0.623 nan 8.250 nan 0.000 0.437 289 Y N 1.443 121.843 120.300 0.166 0.000 2.307 289 Y HA 0.538 5.091 4.550 0.004 0.000 0.323 289 Y C -1.796 174.311 175.900 0.345 0.000 1.100 289 Y CA -1.004 57.277 58.100 0.303 0.000 1.140 289 Y CB 1.749 40.468 38.460 0.431 0.000 1.159 289 Y HN 0.626 nan 8.280 nan 0.000 0.436 290 A N 9.181 132.143 122.820 0.236 0.000 2.923 290 A HA 0.460 4.782 4.320 0.005 0.000 0.343 290 A C -2.012 175.551 177.584 -0.035 0.000 1.199 290 A CA -1.312 50.760 52.037 0.057 0.000 0.878 290 A CB 0.131 19.191 19.000 0.100 0.000 1.104 290 A HN 0.560 nan 8.150 nan 0.000 0.483 291 P HA -0.134 nan 4.420 nan 0.000 0.218 291 P C -0.061 177.229 177.300 -0.016 0.000 1.149 291 P CA 1.888 64.867 63.100 -0.203 0.000 0.817 291 P CB 0.274 31.727 31.700 -0.411 0.000 0.785 292 D N -1.503 118.905 120.400 0.015 0.000 3.603 292 D HA 0.169 4.812 4.640 0.005 0.000 0.280 292 D C 0.320 176.666 176.300 0.075 0.000 1.435 292 D CA -0.570 53.466 54.000 0.061 0.000 1.005 292 D CB -0.191 40.657 40.800 0.081 0.000 1.321 292 D HN -0.155 nan 8.370 nan 0.000 0.639 293 E N -0.887 119.367 120.200 0.090 0.000 2.660 293 E HA 0.294 4.646 4.350 0.005 0.000 0.216 293 E C 0.118 176.744 176.600 0.044 0.000 0.986 293 E CA 0.003 56.438 56.400 0.059 0.000 1.037 293 E CB 0.853 30.576 29.700 0.039 0.000 1.041 293 E HN 0.266 nan 8.360 nan 0.000 0.480 294 V N -0.356 119.627 119.914 0.114 0.000 2.996 294 V HA 0.129 4.252 4.120 0.005 0.000 0.235 294 V C 0.191 176.281 176.094 -0.007 0.000 1.205 294 V CA 0.345 62.658 62.300 0.020 0.000 1.225 294 V CB 0.075 31.980 31.823 0.135 0.000 0.995 294 V HN 0.187 nan 8.190 nan 0.000 0.484 295 H N 0.423 119.568 119.070 0.126 0.000 2.487 295 H HA 0.688 5.247 4.556 0.005 0.000 0.333 295 H C 0.039 175.375 175.328 0.013 0.000 1.114 295 H CA 0.393 56.526 56.048 0.142 0.000 1.310 295 H CB 1.417 31.261 29.762 0.137 0.000 1.462 295 H HN 0.261 nan 8.280 nan 0.000 0.516 296 T N 2.277 116.839 114.554 0.012 0.000 3.012 296 T HA 0.548 4.900 4.350 0.005 0.000 0.330 296 T C -1.942 172.703 174.700 -0.091 0.000 1.321 296 T CA -0.689 61.426 62.100 0.025 0.000 1.067 296 T CB 0.334 69.217 68.868 0.024 0.000 1.235 296 T HN 0.310 nan 8.240 nan 0.000 0.479 297 F N 4.129 124.224 119.950 0.243 0.000 2.576 297 F HA 0.689 5.218 4.527 0.005 0.000 0.313 297 F C 0.380 176.307 175.800 0.211 0.000 1.078 297 F CA -0.893 57.271 58.000 0.273 0.000 0.921 297 F CB 2.152 41.321 39.000 0.281 0.000 1.232 297 F HN 0.697 nan 8.300 nan 0.000 0.459 298 N N 0.253 119.159 118.700 0.343 0.000 2.357 298 N HA 0.737 5.480 4.740 0.005 0.000 0.284 298 N C -1.562 174.074 175.510 0.211 0.000 1.236 298 N CA -0.775 52.407 53.050 0.219 0.000 0.774 298 N CB 2.253 40.819 38.487 0.131 0.000 1.534 298 N HN 0.600 nan 8.380 nan 0.000 0.478 299 S N -0.574 115.221 115.700 0.158 0.000 2.570 299 S HA 0.747 5.219 4.470 0.005 0.000 0.270 299 S C -1.471 173.198 174.600 0.115 0.000 1.149 299 S CA -0.851 57.441 58.200 0.153 0.000 0.837 299 S CB 1.794 65.095 63.200 0.167 0.000 1.124 299 S HN 0.628 nan 8.310 nan 0.000 0.465 300 L N 1.093 122.388 121.223 0.121 0.000 2.562 300 L HA 0.682 5.025 4.340 0.005 0.000 0.266 300 L C -2.133 174.808 176.870 0.118 0.000 0.949 300 L CA -0.408 54.493 54.840 0.101 0.000 0.879 300 L CB 1.541 43.647 42.059 0.079 0.000 1.278 300 L HN 0.903 nan 8.230 nan 0.000 0.404 301 L N 4.507 125.798 121.223 0.114 0.000 2.365 301 L HA 0.701 5.044 4.340 0.005 0.000 0.273 301 L C -0.763 176.185 176.870 0.130 0.000 1.000 301 L CA -0.449 54.471 54.840 0.132 0.000 0.819 301 L CB 2.005 44.142 42.059 0.131 0.000 1.284 301 L HN 0.678 nan 8.230 nan 0.000 0.418 302 Q N 2.248 122.137 119.800 0.148 0.000 2.359 302 Q HA 0.365 4.707 4.340 0.005 0.000 0.274 302 Q C -2.115 174.021 176.000 0.226 0.000 1.074 302 Q CA -0.725 55.173 55.803 0.157 0.000 0.810 302 Q CB 2.859 31.655 28.738 0.096 0.000 1.342 302 Q HN 0.571 nan 8.270 nan 0.000 0.427 303 Y N 3.812 124.176 120.300 0.108 0.000 2.426 303 Y HA 0.377 4.930 4.550 0.005 0.000 0.325 303 Y C -2.196 173.787 175.900 0.139 0.000 0.989 303 Y CA -0.714 57.452 58.100 0.111 0.000 1.284 303 Y CB 0.987 39.497 38.460 0.083 0.000 1.104 303 Y HN 0.673 nan 8.280 nan 0.000 0.481 304 Y N 6.131 126.192 120.300 -0.398 0.000 2.328 304 Y HA 0.483 5.036 4.550 0.005 0.000 0.337 304 Y C -1.149 174.474 175.900 -0.461 0.000 0.966 304 Y CA -0.721 57.198 58.100 -0.302 0.000 1.136 304 Y CB 0.777 39.125 38.460 -0.187 0.000 1.170 304 Y HN 0.622 nan 8.280 nan 0.000 0.470 305 D N 3.921 123.975 120.400 -0.577 0.000 2.646 305 D HA 0.632 5.274 4.640 0.005 0.000 0.245 305 D C -1.075 174.997 176.300 -0.380 0.000 1.099 305 D CA -0.289 53.496 54.000 -0.358 0.000 0.849 305 D CB 2.096 42.788 40.800 -0.180 0.000 1.448 305 D HN 0.895 nan 8.370 nan 0.000 0.489 306 G N 2.072 110.780 108.800 -0.154 0.000 2.732 306 G HA2 0.550 4.513 3.960 0.005 0.000 0.296 306 G HA3 0.550 4.513 3.960 0.005 0.000 0.296 306 G C -1.592 173.335 174.900 0.046 0.000 1.448 306 G CA -0.841 44.197 45.100 -0.104 0.000 0.911 306 G HN 0.522 nan 8.290 nan 0.000 0.528 307 E N -0.396 119.824 120.200 0.033 0.000 2.390 307 E HA 0.797 5.150 4.350 0.005 0.000 0.277 307 E C -0.876 175.750 176.600 0.042 0.000 0.939 307 E CA -1.277 55.182 56.400 0.099 0.000 0.769 307 E CB 2.519 32.260 29.700 0.068 0.000 1.251 307 E HN 1.359 nan 8.360 nan 0.000 0.450 308 A N 1.812 124.670 122.820 0.064 0.000 2.604 308 A HA 0.485 4.808 4.320 0.005 0.000 0.295 308 A C -1.834 175.770 177.584 0.034 0.000 1.067 308 A CA -0.933 51.118 52.037 0.024 0.000 0.683 308 A CB 1.792 20.798 19.000 0.009 0.000 1.281 308 A HN 0.595 nan 8.150 nan 0.000 0.407 309 D N 1.791 122.146 120.400 -0.076 0.000 2.274 309 D HA 0.530 5.172 4.640 0.005 0.000 0.239 309 D C -0.394 175.794 176.300 -0.187 0.000 1.104 309 D CA 0.273 54.103 54.000 -0.284 0.000 0.840 309 D CB 1.243 41.635 40.800 -0.680 0.000 1.100 309 D HN 0.480 nan 8.370 nan 0.000 0.477 310 M N 3.770 123.357 119.600 -0.022 0.000 2.120 310 M HA 0.223 4.706 4.480 0.005 0.000 0.354 310 M C -1.651 174.753 176.300 0.172 0.000 1.287 310 M CA -1.491 53.880 55.300 0.117 0.000 1.103 310 M CB 1.686 34.413 32.600 0.212 0.000 1.623 310 M HN 0.067 nan 8.290 nan 0.000 0.471 311 P HA 0.049 nan 4.420 nan 0.000 0.214 311 P C 0.388 177.739 177.300 0.084 0.000 1.162 311 P CA 1.047 64.229 63.100 0.136 0.000 0.871 311 P CB 0.195 31.934 31.700 0.065 0.000 0.783 312 G N -1.579 107.280 108.800 0.099 0.000 2.757 312 G HA2 0.124 4.086 3.960 0.005 0.000 0.638 312 G HA3 0.124 4.086 3.960 0.005 0.000 0.638 312 G C 0.217 174.644 174.900 -0.787 0.000 1.344 312 G CA -0.776 44.320 45.100 -0.007 0.000 0.855 312 G HN 0.446 nan 8.290 nan 0.000 0.537 313 G N -1.451 106.868 108.800 -0.801 0.000 2.543 313 G HA2 0.729 4.692 3.960 0.005 0.000 0.290 313 G HA3 0.729 4.692 3.960 0.005 0.000 0.290 313 G C -0.180 174.488 174.900 -0.386 0.000 1.310 313 G CA -0.594 43.952 45.100 -0.922 0.000 1.025 313 G HN 1.067 nan 8.290 nan 0.000 0.502 314 L N -0.324 120.729 121.223 -0.283 0.000 2.393 314 L HA 0.424 4.767 4.340 0.005 0.000 0.260 314 L C 0.545 177.353 176.870 -0.104 0.000 1.002 314 L CA -0.983 53.771 54.840 -0.142 0.000 0.818 314 L CB 2.413 44.432 42.059 -0.065 0.000 1.369 314 L HN 0.727 nan 8.230 nan 0.000 0.412 315 S N 0.267 115.936 115.700 -0.053 0.000 2.614 315 S HA 0.254 4.727 4.470 0.005 0.000 0.265 315 S C 0.752 175.340 174.600 -0.020 0.000 1.303 315 S CA -0.423 57.754 58.200 -0.038 0.000 1.000 315 S CB 1.779 64.966 63.200 -0.022 0.000 0.935 315 S HN 0.689 nan 8.310 nan 0.000 0.551 316 R N 1.321 121.809 120.500 -0.021 0.000 2.073 316 R HA 0.015 4.358 4.340 0.005 0.000 0.234 316 R C 2.495 178.811 176.300 0.028 0.000 1.134 316 R CA 1.995 58.101 56.100 0.009 0.000 0.952 316 R CB -1.540 28.756 30.300 -0.007 0.000 0.850 316 R HN 0.866 nan 8.270 nan 0.000 0.433 317 A N 0.971 123.792 122.820 0.003 0.000 1.869 317 A HA -0.266 4.057 4.320 0.005 0.000 0.218 317 A C 1.878 179.452 177.584 -0.017 0.000 1.203 317 A CA 2.259 54.291 52.037 -0.008 0.000 0.638 317 A CB -0.993 18.001 19.000 -0.010 0.000 0.831 317 A HN 0.489 nan 8.150 nan 0.000 0.450 318 D N -2.190 118.204 120.400 -0.009 0.000 2.178 318 D HA -0.142 4.501 4.640 0.005 0.000 0.201 318 D C 1.702 177.992 176.300 -0.017 0.000 0.980 318 D CA 1.582 55.573 54.000 -0.016 0.000 0.842 318 D CB -0.291 40.502 40.800 -0.013 0.000 0.948 318 D HN 0.624 nan 8.370 nan 0.000 0.472 319 Y N 2.091 122.319 120.300 -0.120 0.000 2.242 319 Y HA -0.154 4.399 4.550 0.005 0.000 0.291 319 Y C 1.782 177.592 175.900 -0.150 0.000 1.137 319 Y CA 1.332 59.339 58.100 -0.155 0.000 1.181 319 Y CB -0.035 38.306 38.460 -0.198 0.000 0.989 319 Y HN -0.156 nan 8.280 nan 0.000 0.527 320 D N -0.155 120.089 120.400 -0.261 0.000 2.137 320 D HA -0.093 4.550 4.640 0.005 0.000 0.202 320 D C 2.309 178.457 176.300 -0.253 0.000 0.970 320 D CA 1.199 55.012 54.000 -0.312 0.000 0.837 320 D CB -0.398 40.321 40.800 -0.135 0.000 0.981 320 D HN 0.434 nan 8.370 nan 0.000 0.475 321 A N 0.477 123.201 122.820 -0.160 0.000 1.884 321 A HA -0.172 4.151 4.320 0.005 0.000 0.219 321 A C 0.915 178.420 177.584 -0.132 0.000 1.197 321 A CA 1.825 53.796 52.037 -0.110 0.000 0.637 321 A CB 0.011 18.970 19.000 -0.068 0.000 0.827 321 A HN 0.204 nan 8.150 nan 0.000 0.450 322 D N -2.959 117.336 120.400 -0.175 0.000 2.312 322 D HA 0.140 4.783 4.640 0.005 0.000 0.229 322 D C 0.907 177.052 176.300 -0.258 0.000 1.337 322 D CA -0.116 53.779 54.000 -0.175 0.000 0.964 322 D CB 0.399 41.175 40.800 -0.039 0.000 1.456 322 D HN 0.343 nan 8.370 nan 0.000 0.547 323 R N 1.966 122.139 120.500 -0.545 0.000 2.127 323 R HA -0.103 4.240 4.340 0.005 0.000 0.238 323 R C 0.906 177.048 176.300 -0.262 0.000 1.134 323 R CA 1.033 56.793 56.100 -0.568 0.000 0.975 323 R CB -0.399 29.337 30.300 -0.941 0.000 0.865 323 R HN 0.422 nan 8.270 nan 0.000 0.447 324 W N 2.766 124.106 121.300 0.067 0.000 2.436 324 W HA -0.064 4.599 4.660 0.005 0.000 0.284 324 W C 1.215 177.777 176.519 0.072 0.000 1.225 324 W CA 0.013 57.425 57.345 0.112 0.000 1.271 324 W CB -0.203 29.313 29.460 0.094 0.000 1.114 324 W HN 0.283 nan 8.180 nan 0.000 0.559 325 Q N 1.504 121.428 119.800 0.206 0.000 2.614 325 Q HA 0.113 4.456 4.340 0.005 0.000 0.244 325 Q C -0.045 175.998 176.000 0.073 0.000 1.097 325 Q CA 0.320 56.194 55.803 0.118 0.000 0.986 325 Q CB 1.046 29.818 28.738 0.056 0.000 1.308 325 Q HN -0.104 nan 8.270 nan 0.000 0.546 326 S N -0.174 115.545 115.700 0.031 0.000 2.672 326 S HA 0.260 4.733 4.470 0.005 0.000 0.291 326 S C -0.163 174.401 174.600 -0.059 0.000 1.145 326 S CA -0.241 57.956 58.200 -0.005 0.000 1.013 326 S CB 1.330 64.552 63.200 0.037 0.000 1.017 326 S HN 0.735 nan 8.310 nan 0.000 0.487 327 T N 1.974 116.491 114.554 -0.062 0.000 3.278 327 T HA 0.342 4.695 4.350 0.005 0.000 0.251 327 T C 0.258 174.907 174.700 -0.085 0.000 1.039 327 T CA -0.349 61.706 62.100 -0.075 0.000 0.935 327 T CB -0.222 68.616 68.868 -0.051 0.000 1.034 327 T HN 0.414 nan 8.240 nan 0.000 0.575 328 R N 2.090 122.534 120.500 -0.094 0.000 2.564 328 R HA 0.270 4.613 4.340 0.005 0.000 0.282 328 R C -2.344 173.849 176.300 -0.179 0.000 1.573 328 R CA -1.744 54.318 56.100 -0.063 0.000 1.588 328 R CB 1.214 31.540 30.300 0.043 0.000 1.154 328 R HN 0.251 nan 8.270 nan 0.000 0.606 329 P HA -0.044 nan 4.420 nan 0.000 0.241 329 P C 0.285 177.373 177.300 -0.353 0.000 1.191 329 P CA 0.731 63.460 63.100 -0.618 0.000 0.771 329 P CB 0.323 31.638 31.700 -0.643 0.000 0.929 330 Y N 0.091 120.423 120.300 0.054 0.000 2.441 330 Y HA 0.145 4.698 4.550 0.004 0.000 0.288 330 Y C 0.847 176.912 175.900 0.274 0.000 1.118 330 Y CA -0.502 57.672 58.100 0.124 0.000 1.215 330 Y CB -1.217 37.285 38.460 0.070 0.000 1.118 330 Y HN -0.135 nan 8.280 nan 0.000 0.547 331 D N 2.239 122.889 120.400 0.417 0.000 2.570 331 D HA 0.049 4.691 4.640 0.005 0.000 0.243 331 D C 0.320 176.869 176.300 0.414 0.000 1.171 331 D CA 0.761 54.996 54.000 0.391 0.000 0.879 331 D CB 0.291 41.274 40.800 0.305 0.000 1.143 331 D HN 0.200 nan 8.370 nan 0.000 0.511 332 R N 1.956 122.710 120.500 0.424 0.000 2.799 332 R HA 0.660 5.003 4.340 0.005 0.000 0.270 332 R C -1.866 174.653 176.300 0.366 0.000 1.010 332 R CA -0.832 55.499 56.100 0.385 0.000 0.916 332 R CB 1.412 32.013 30.300 0.502 0.000 1.228 332 R HN 0.309 nan 8.270 nan 0.000 0.469 333 F N 2.949 122.960 119.950 0.103 0.000 2.605 333 F HA 0.515 5.044 4.527 0.004 0.000 0.320 333 F C -1.908 173.868 175.800 -0.041 0.000 1.159 333 F CA -0.333 57.601 58.000 -0.110 0.000 0.999 333 F CB 1.288 40.143 39.000 -0.241 0.000 1.258 333 F HN 0.621 nan 8.300 nan 0.000 0.464 334 W N 4.500 125.447 121.300 -0.588 0.000 3.107 334 W HA 0.930 5.593 4.660 0.005 0.000 0.331 334 W C -1.150 175.086 176.519 -0.472 0.000 1.204 334 W CA -1.592 55.526 57.345 -0.378 0.000 1.184 334 W CB 1.483 30.783 29.460 -0.267 0.000 1.421 334 W HN 0.829 nan 8.180 nan 0.000 0.544 335 G N 0.297 109.069 108.800 -0.046 0.000 2.667 335 G HA2 0.776 4.739 3.960 0.005 0.000 0.294 335 G HA3 0.776 4.739 3.960 0.005 0.000 0.294 335 G C -2.000 172.939 174.900 0.065 0.000 1.467 335 G CA -0.462 44.583 45.100 -0.091 0.000 0.852 335 G HN 1.070 nan 8.290 nan 0.000 0.521 336 R N -0.125 120.380 120.500 0.009 0.000 2.673 336 R HA 0.973 5.316 4.340 0.005 0.000 0.281 336 R C -0.512 175.751 176.300 -0.062 0.000 0.991 336 R CA -0.852 55.229 56.100 -0.032 0.000 0.896 336 R CB 1.994 nan 30.300 nan 0.000 1.201 336 R HN 1.292 nan 8.270 nan 0.000 0.457 337 R N 1.039 121.492 120.500 -0.078 0.000 2.686 337 R HA 0.577 4.920 4.340 0.005 0.000 0.286 337 R C -1.257 175.000 176.300 -0.071 0.000 0.969 337 R CA -0.517 55.535 56.100 -0.080 0.000 0.898 337 R CB 1.666 31.908 30.300 -0.097 0.000 1.183 337 R HN 0.632 nan 8.270 nan 0.000 0.456 338 K N 4.286 124.677 120.400 -0.016 0.000 2.502 338 K HA 0.403 4.726 4.320 0.005 0.000 0.254 338 K C -1.316 175.318 176.600 0.057 0.000 0.947 338 K CA -0.687 55.649 56.287 0.082 0.000 0.834 338 K CB 1.927 34.526 32.500 0.165 0.000 1.112 338 K HN 0.537 nan 8.250 nan 0.000 0.427 339 L N 2.041 123.320 121.223 0.093 0.000 2.346 339 L HA 0.768 5.111 4.340 0.005 0.000 0.276 339 L C -1.375 175.594 176.870 0.165 0.000 1.006 339 L CA -0.421 54.476 54.840 0.095 0.000 0.817 339 L CB 1.604 43.688 42.059 0.041 0.000 1.272 339 L HN 0.781 nan 8.230 nan 0.000 0.421 340 A N 3.046 125.998 122.820 0.221 0.000 2.381 340 A HA 0.720 5.043 4.320 0.005 0.000 0.299 340 A C -1.120 176.626 177.584 0.270 0.000 1.049 340 A CA -0.414 51.772 52.037 0.248 0.000 0.715 340 A CB 1.855 21.039 19.000 0.308 0.000 1.222 340 A HN 0.553 nan 8.150 nan 0.000 0.428 341 S N 2.464 118.298 115.700 0.224 0.000 2.614 341 S HA 0.625 5.098 4.470 0.005 0.000 0.275 341 S C -1.504 173.220 174.600 0.207 0.000 1.161 341 S CA -0.468 57.877 58.200 0.243 0.000 0.969 341 S CB 0.788 64.113 63.200 0.209 0.000 1.059 341 S HN 0.796 nan 8.310 nan 0.000 0.482 342 L N 4.496 125.849 121.223 0.217 0.000 2.322 342 L HA 0.850 5.193 4.340 0.005 0.000 0.281 342 L C 0.183 177.181 176.870 0.213 0.000 1.014 342 L CA -0.313 54.654 54.840 0.212 0.000 0.815 342 L CB 1.402 43.584 42.059 0.205 0.000 1.247 342 L HN 0.898 nan 8.230 nan 0.000 0.421 343 G N 2.871 111.805 108.800 0.223 0.000 2.638 343 G HA2 0.497 4.460 3.960 0.005 0.000 0.302 343 G HA3 0.497 4.460 3.960 0.005 0.000 0.302 343 G C -2.446 172.590 174.900 0.227 0.000 1.365 343 G CA -0.264 44.944 45.100 0.180 0.000 0.987 343 G HN 0.436 nan 8.290 nan 0.000 0.495 344 Y N 0.963 121.242 120.300 -0.036 0.000 2.492 344 Y HA 0.711 5.264 4.550 0.005 0.000 0.346 344 Y C -0.823 174.893 175.900 -0.307 0.000 0.997 344 Y CA -1.393 56.582 58.100 -0.209 0.000 1.025 344 Y CB 2.407 40.757 38.460 -0.184 0.000 1.263 344 Y HN 0.634 nan 8.280 nan 0.000 0.454 345 Q N 6.660 125.913 119.800 -0.912 0.000 2.304 345 Q HA 0.434 4.777 4.340 0.005 0.000 0.270 345 Q C -2.288 173.252 176.000 -0.766 0.000 1.035 345 Q CA -0.803 54.488 55.803 -0.854 0.000 0.781 345 Q CB 1.597 30.092 28.738 -0.406 0.000 1.261 345 Q HN 0.664 nan 8.270 nan 0.000 0.444 346 F N 3.861 123.342 119.950 -0.782 0.000 2.388 346 F HA 0.367 4.896 4.527 0.004 0.000 0.358 346 F C -1.002 174.657 175.800 -0.237 0.000 1.122 346 F CA -0.416 57.347 58.000 -0.395 0.000 1.056 346 F CB 1.504 40.445 39.000 -0.099 0.000 1.155 346 F HN 0.655 nan 8.300 nan 0.000 0.461 347 Q N 9.446 128.767 119.800 -0.797 0.000 2.771 347 Q HA 0.350 4.693 4.340 0.005 0.000 0.247 347 Q C -2.309 173.296 176.000 -0.659 0.000 0.986 347 Q CA -1.911 53.460 55.803 -0.721 0.000 0.713 347 Q CB 1.708 30.227 28.738 -0.364 0.000 1.241 347 Q HN 0.432 nan 8.270 nan 0.000 0.488 348 P HA -0.051 nan 4.420 nan 0.000 0.222 348 P C -0.559 176.616 177.300 -0.208 0.000 1.153 348 P CA 1.031 63.896 63.100 -0.391 0.000 0.798 348 P CB 0.450 31.961 31.700 -0.315 0.000 0.796 349 D N -2.165 118.110 120.400 -0.209 0.000 2.677 349 D HA 0.138 4.780 4.640 0.005 0.000 0.298 349 D C 0.061 176.323 176.300 -0.063 0.000 1.250 349 D CA -0.642 53.312 54.000 -0.078 0.000 0.888 349 D CB -0.203 40.599 40.800 0.003 0.000 1.397 349 D HN -0.253 nan 8.370 nan 0.000 0.461 350 S N -2.593 113.092 115.700 -0.026 0.000 2.710 350 S HA 0.285 4.758 4.470 0.005 0.000 0.224 350 S C 1.359 175.941 174.600 -0.031 0.000 0.948 350 S CA 0.628 58.804 58.200 -0.039 0.000 0.949 350 S CB -0.457 62.726 63.200 -0.028 0.000 0.778 350 S HN 0.664 nan 8.310 nan 0.000 0.498 351 Q N 0.828 120.644 119.800 0.026 0.000 2.390 351 Q HA 0.287 4.630 4.340 0.005 0.000 0.216 351 Q C 0.320 176.219 176.000 -0.168 0.000 0.916 351 Q CA 0.717 56.497 55.803 -0.039 0.000 0.911 351 Q CB -0.373 nan 28.738 nan 0.000 1.035 351 Q HN 0.862 nan 8.270 nan 0.000 0.541 352 H N -1.421 117.526 119.070 -0.205 0.000 2.797 352 H HA 0.785 5.344 4.556 0.005 0.000 0.372 352 H C -1.281 173.790 175.328 -0.430 0.000 1.168 352 H CA -1.161 54.682 56.048 -0.341 0.000 1.163 352 H CB 1.792 31.415 29.762 -0.232 0.000 1.778 352 H HN 0.289 nan 8.280 nan 0.000 0.551 353 K N 1.628 121.764 120.400 -0.440 0.000 2.565 353 K HA 0.390 4.713 4.320 0.005 0.000 0.251 353 K C -2.031 174.391 176.600 -0.298 0.000 0.956 353 K CA -0.692 55.379 56.287 -0.360 0.000 0.809 353 K CB 1.664 34.000 32.500 -0.274 0.000 1.267 353 K HN 0.413 nan 8.250 nan 0.000 0.438 354 F N 3.848 123.615 119.950 -0.304 0.000 2.467 354 F HA 0.584 5.114 4.527 0.004 0.000 0.336 354 F C -1.352 174.337 175.800 -0.185 0.000 1.123 354 F CA -0.671 57.250 58.000 -0.131 0.000 0.964 354 F CB 1.288 40.353 39.000 0.107 0.000 1.136 354 F HN 0.559 nan 8.300 nan 0.000 0.447 355 N N 5.992 124.190 118.700 -0.837 0.000 2.225 355 N HA 0.654 5.397 4.740 0.005 0.000 0.298 355 N C -1.744 173.258 175.510 -0.847 0.000 1.076 355 N CA -0.588 51.960 53.050 -0.836 0.000 0.792 355 N CB 2.617 40.891 38.487 -0.356 0.000 1.498 355 N HN 0.698 nan 8.380 nan 0.000 0.474 356 I N 0.853 121.035 120.570 -0.646 0.000 2.548 356 I HA 0.282 4.455 4.170 0.005 0.000 0.287 356 I C -1.591 174.501 176.117 -0.041 0.000 1.103 356 I CA -0.406 60.750 61.300 -0.239 0.000 1.049 356 I CB 1.485 39.432 38.000 -0.089 0.000 1.232 356 I HN 0.474 nan 8.210 nan 0.000 0.429 357 Q N 5.617 125.450 119.800 0.056 0.000 2.340 357 Q HA 0.719 5.061 4.340 0.005 0.000 0.268 357 Q C -1.119 174.991 176.000 0.185 0.000 1.031 357 Q CA -0.726 55.155 55.803 0.130 0.000 0.804 357 Q CB 2.218 31.040 28.738 0.139 0.000 1.286 357 Q HN 0.808 nan 8.270 nan 0.000 0.448 358 G N 2.344 111.262 108.800 0.196 0.000 2.473 358 G HA2 0.773 4.736 3.960 0.005 0.000 0.321 358 G HA3 0.773 4.736 3.960 0.005 0.000 0.321 358 G C -1.394 173.667 174.900 0.268 0.000 1.200 358 G CA -0.626 44.566 45.100 0.153 0.000 0.963 358 G HN 0.616 nan 8.290 nan 0.000 0.483 359 F N -0.553 119.492 119.950 0.158 0.000 2.688 359 F HA 0.701 5.230 4.527 0.004 0.000 0.308 359 F C -2.251 173.695 175.800 0.243 0.000 1.117 359 F CA -2.053 56.048 58.000 0.170 0.000 0.976 359 F CB 1.329 40.394 39.000 0.109 0.000 1.291 359 F HN 0.629 nan 8.300 nan 0.000 0.439 360 Y N 2.097 122.601 120.300 0.340 0.000 2.457 360 Y HA 0.740 5.293 4.550 0.005 0.000 0.343 360 Y C -1.288 174.793 175.900 0.300 0.000 0.994 360 Y CA -0.397 57.860 58.100 0.263 0.000 1.031 360 Y CB 2.311 40.877 38.460 0.176 0.000 1.246 360 Y HN 1.022 nan 8.280 nan 0.000 0.449 361 T N 3.189 117.516 114.554 -0.379 0.000 3.032 361 T HA 0.354 4.707 4.350 0.005 0.000 0.312 361 T C -1.486 172.935 174.700 -0.465 0.000 1.078 361 T CA -0.901 61.004 62.100 -0.325 0.000 1.028 361 T CB 1.640 70.468 68.868 -0.067 0.000 1.091 361 T HN 0.772 nan 8.240 nan 0.000 0.457 362 Q N 2.081 121.650 119.800 -0.385 0.000 2.322 362 Q HA 0.629 4.972 4.340 0.005 0.000 0.265 362 Q C -1.229 174.639 176.000 -0.219 0.000 0.985 362 Q CA -0.494 55.123 55.803 -0.310 0.000 0.849 362 Q CB 1.341 30.032 28.738 -0.077 0.000 1.274 362 Q HN 0.849 nan 8.270 nan 0.000 0.449 363 T N 4.399 118.793 114.554 -0.268 0.000 2.886 363 T HA 0.485 4.838 4.350 0.005 0.000 0.292 363 T C -1.389 173.173 174.700 -0.230 0.000 1.012 363 T CA -0.712 61.288 62.100 -0.165 0.000 0.982 363 T CB 1.301 70.145 68.868 -0.039 0.000 1.018 363 T HN 0.538 nan 8.240 nan 0.000 0.451 364 L N 4.189 125.294 121.223 -0.196 0.000 2.410 364 L HA 0.813 5.156 4.340 0.005 0.000 0.270 364 L C -1.389 175.318 176.870 -0.272 0.000 0.983 364 L CA -0.768 53.924 54.840 -0.247 0.000 0.822 364 L CB 1.733 43.682 42.059 -0.183 0.000 1.285 364 L HN 0.946 nan 8.230 nan 0.000 0.409 365 R N 2.694 122.954 120.500 -0.400 0.000 2.584 365 R HA 0.802 5.145 4.340 0.005 0.000 0.276 365 R C -1.033 174.802 176.300 -0.775 0.000 1.046 365 R CA -0.437 55.304 56.100 -0.597 0.000 0.906 365 R CB 1.785 31.848 30.300 -0.395 0.000 1.215 365 R HN 0.713 nan 8.270 nan 0.000 0.449 366 S N 0.679 115.602 115.700 -1.294 0.000 2.929 366 S HA 0.977 5.450 4.470 0.005 0.000 0.311 366 S C -0.433 173.096 174.600 -1.785 0.000 1.213 366 S CA -0.473 57.004 58.200 -1.205 0.000 0.908 366 S CB 1.365 64.010 63.200 -0.925 0.000 1.287 366 S HN 1.530 nan 8.310 nan 0.000 0.594 367 G N -0.740 107.169 108.800 -1.485 0.000 2.350 367 G HA2 0.406 4.369 3.960 0.005 0.000 0.305 367 G HA3 0.406 4.369 3.960 0.005 0.000 0.305 367 G C -2.312 172.342 174.900 -0.409 0.000 1.479 367 G CA -0.918 43.480 45.100 -1.170 0.000 0.949 367 G HN 0.684 nan 8.290 nan 0.000 0.651 368 Y N -0.640 119.746 120.300 0.142 0.000 2.310 368 Y HA 0.830 5.382 4.550 0.004 0.000 0.326 368 Y C 0.465 176.487 175.900 0.203 0.000 1.151 368 Y CA -0.915 57.306 58.100 0.202 0.000 1.195 368 Y CB 1.803 40.429 38.460 0.276 0.000 1.210 368 Y HN 0.644 nan 8.280 nan 0.000 0.483 369 L N 1.728 123.164 121.223 0.356 0.000 2.518 369 L HA 0.422 4.765 4.340 0.005 0.000 0.257 369 L C -1.162 175.840 176.870 0.221 0.000 0.980 369 L CA -0.893 54.106 54.840 0.266 0.000 0.837 369 L CB 2.475 44.653 42.059 0.199 0.000 1.410 369 L HN 0.690 nan 8.230 nan 0.000 0.410 370 E N 2.591 122.915 120.200 0.206 0.000 2.109 370 E HA 0.376 4.729 4.350 0.005 0.000 0.278 370 E C -1.311 175.360 176.600 0.117 0.000 0.954 370 E CA -0.320 56.181 56.400 0.168 0.000 0.779 370 E CB 0.824 30.664 29.700 0.232 0.000 1.093 370 E HN 0.588 nan 8.360 nan 0.000 0.401 371 Q N 3.144 122.996 119.800 0.087 0.000 2.523 371 Q HA 0.292 4.635 4.340 0.005 0.000 0.251 371 Q C -0.188 175.837 176.000 0.041 0.000 1.033 371 Q CA -0.604 55.235 55.803 0.060 0.000 0.746 371 Q CB 1.626 30.395 28.738 0.052 0.000 1.189 371 Q HN 0.862 nan 8.270 nan 0.000 0.508 372 G N 3.660 112.484 108.800 0.040 0.000 2.186 372 G HA2 -0.303 3.660 3.960 0.005 0.000 0.229 372 G HA3 -0.303 3.660 3.960 0.005 0.000 0.229 372 G C 0.204 175.119 174.900 0.026 0.000 0.553 372 G CA 0.195 45.313 45.100 0.029 0.000 1.032 372 G HN 0.639 nan 8.290 nan 0.000 0.354 373 K N -0.836 119.584 120.400 0.034 0.000 3.160 373 K HA -0.188 4.135 4.320 0.005 0.000 0.280 373 K C 0.614 177.232 176.600 0.030 0.000 1.154 373 K CA 1.935 58.239 56.287 0.030 0.000 0.822 373 K CB -1.460 31.054 32.500 0.024 0.000 1.239 373 K HN 0.963 nan 8.250 nan 0.000 0.489 374 R N -0.806 119.713 120.500 0.031 0.000 2.629 374 R HA 0.554 4.897 4.340 0.005 0.000 0.266 374 R C -0.606 175.716 176.300 0.036 0.000 1.051 374 R CA -0.822 55.310 56.100 0.053 0.000 0.895 374 R CB 1.667 32.007 30.300 0.067 0.000 1.246 374 R HN 0.036 nan 8.270 nan 0.000 0.459 375 I N 1.456 122.042 120.570 0.027 0.000 2.498 375 I HA 0.341 4.514 4.170 0.005 0.000 0.290 375 I C -0.084 176.102 176.117 0.115 0.000 1.032 375 I CA -0.680 60.621 61.300 0.002 0.000 1.073 375 I CB 2.492 40.361 38.000 -0.219 0.000 1.251 375 I HN 0.638 nan 8.210 nan 0.000 0.426 376 T N 3.575 118.236 114.554 0.178 0.000 2.863 376 T HA 0.632 4.985 4.350 0.005 0.000 0.285 376 T C -0.814 174.067 174.700 0.302 0.000 1.009 376 T CA -0.761 61.485 62.100 0.243 0.000 0.989 376 T CB 2.122 71.111 68.868 0.201 0.000 1.004 376 T HN 0.298 nan 8.240 nan 0.000 0.455 377 L N 2.549 123.972 121.223 0.333 0.000 2.265 377 L HA 0.653 4.996 4.340 0.005 0.000 0.289 377 L C -0.485 176.498 176.870 0.188 0.000 1.033 377 L CA -0.047 54.962 54.840 0.282 0.000 0.814 377 L CB 1.265 43.519 42.059 0.326 0.000 1.203 377 L HN 0.838 nan 8.230 nan 0.000 0.423 378 S N 6.678 122.375 115.700 -0.005 0.000 2.399 378 S HA 0.510 4.983 4.470 0.005 0.000 0.215 378 S C -2.593 171.886 174.600 -0.203 0.000 1.456 378 S CA -0.904 57.266 58.200 -0.050 0.000 1.199 378 S CB 0.820 63.998 63.200 -0.035 0.000 1.063 378 S HN 0.492 nan 8.310 nan 0.000 0.476 379 P HA 0.518 nan 4.420 nan 0.000 0.282 379 P C -0.689 176.425 177.300 -0.310 0.000 1.249 379 P CA -0.693 62.245 63.100 -0.270 0.000 0.806 379 P CB 0.690 32.291 31.700 -0.166 0.000 0.984 380 R N 1.925 122.195 120.500 -0.384 0.000 2.605 380 R HA 0.329 4.671 4.340 0.005 0.000 0.291 380 R C -0.827 175.110 176.300 -0.604 0.000 1.226 380 R CA -0.514 55.297 56.100 -0.482 0.000 0.981 380 R CB 1.325 31.409 30.300 -0.361 0.000 1.215 380 R HN 0.492 nan 8.270 nan 0.000 0.428 381 N N 2.331 120.608 118.700 -0.706 0.000 2.492 381 N HA 0.427 5.170 4.740 0.005 0.000 0.289 381 N C -1.099 173.716 175.510 -1.158 0.000 1.133 381 N CA -0.145 52.428 53.050 -0.796 0.000 0.961 381 N CB 1.674 39.735 38.487 -0.709 0.000 1.186 381 N HN 0.341 nan 8.380 nan 0.000 0.493 382 Y N -0.238 119.514 120.300 -0.913 0.000 2.441 382 Y HA 0.358 4.910 4.550 0.004 0.000 0.334 382 Y C -0.720 174.737 175.900 -0.739 0.000 1.061 382 Y CA -0.917 56.819 58.100 -0.607 0.000 1.032 382 Y CB 1.830 40.163 38.460 -0.211 0.000 1.266 382 Y HN 0.341 nan 8.280 nan 0.000 0.441 383 W N 3.477 124.881 121.300 0.173 0.000 2.587 383 W HA 0.710 5.373 4.660 0.004 0.000 0.324 383 W C -1.419 175.180 176.519 0.133 0.000 1.040 383 W CA -1.006 56.399 57.345 0.101 0.000 1.222 383 W CB 2.120 31.676 29.460 0.159 0.000 1.381 383 W HN 0.168 nan 8.180 nan 0.000 0.483 384 V N 3.253 123.303 119.914 0.228 0.000 2.488 384 V HA 0.527 4.650 4.120 0.005 0.000 0.293 384 V C 0.394 176.632 176.094 0.240 0.000 1.027 384 V CA -0.770 61.678 62.300 0.248 0.000 0.862 384 V CB 0.918 32.892 31.823 0.251 0.000 1.008 384 V HN 0.584 nan 8.190 nan 0.000 0.428 385 R N 1.988 122.590 120.500 0.171 0.000 2.553 385 R HA 0.953 5.296 4.340 0.005 0.000 0.263 385 R C 0.379 176.433 176.300 -0.411 0.000 1.066 385 R CA -0.244 55.869 56.100 0.022 0.000 1.135 385 R CB 1.507 31.888 30.300 0.134 0.000 1.148 385 R HN 1.733 nan 8.270 nan 0.000 0.558 386 G N 0.084 108.459 108.800 -0.709 0.000 2.405 386 G HA2 0.457 4.420 3.960 0.005 0.000 0.312 386 G HA3 0.457 4.420 3.960 0.005 0.000 0.312 386 G C -2.006 172.565 174.900 -0.548 0.000 1.579 386 G CA -0.247 44.310 45.100 -0.905 0.000 0.933 386 G HN 0.937 nan 8.290 nan 0.000 0.628 387 I N 0.620 121.109 120.570 -0.135 0.000 2.498 387 I HA 0.775 4.947 4.170 0.005 0.000 0.290 387 I C -0.650 175.494 176.117 0.045 0.000 1.032 387 I CA -1.024 60.282 61.300 0.009 0.000 1.073 387 I CB 2.057 40.100 38.000 0.073 0.000 1.251 387 I HN 0.528 nan 8.210 nan 0.000 0.426 388 E N 9.123 129.385 120.200 0.103 0.000 2.373 388 E HA 0.501 4.854 4.350 0.005 0.000 0.251 388 E C -2.875 173.813 176.600 0.146 0.000 0.923 388 E CA -1.898 54.567 56.400 0.108 0.000 0.798 388 E CB 1.810 31.602 29.700 0.154 0.000 1.303 388 E HN 0.332 nan 8.360 nan 0.000 0.412 389 P HA 0.395 nan 4.420 nan 0.000 0.293 389 P C -1.440 176.011 177.300 0.251 0.000 1.291 389 P CA -0.746 62.520 63.100 0.276 0.000 0.867 389 P CB 1.215 33.157 31.700 0.403 0.000 1.074 390 R N 1.680 122.344 120.500 0.274 0.000 2.522 390 R HA 0.477 4.820 4.340 0.005 0.000 0.273 390 R C -1.885 174.616 176.300 0.335 0.000 1.133 390 R CA -0.893 55.346 56.100 0.232 0.000 0.969 390 R CB 0.775 31.159 30.300 0.139 0.000 1.235 390 R HN 0.355 nan 8.270 nan 0.000 0.433 391 Y N 1.554 121.976 120.300 0.203 0.000 2.409 391 Y HA 0.636 5.189 4.550 0.004 0.000 0.339 391 Y C -1.091 174.852 175.900 0.071 0.000 1.033 391 Y CA -0.443 57.770 58.100 0.188 0.000 1.094 391 Y CB 2.423 40.968 38.460 0.140 0.000 1.210 391 Y HN 0.769 nan 8.280 nan 0.000 0.456 392 S N 4.515 119.968 115.700 -0.413 0.000 2.570 392 S HA 0.558 5.031 4.470 0.005 0.000 0.286 392 S C -1.625 172.702 174.600 -0.454 0.000 1.099 392 S CA -0.865 57.185 58.200 -0.250 0.000 0.913 392 S CB 1.970 65.057 63.200 -0.188 0.000 1.085 392 S HN 0.688 nan 8.310 nan 0.000 0.480 393 Q N 1.564 121.211 119.800 -0.255 0.000 2.320 393 Q HA 0.522 4.865 4.340 0.005 0.000 0.272 393 Q C -1.949 173.723 176.000 -0.547 0.000 1.023 393 Q CA -0.416 55.147 55.803 -0.400 0.000 0.855 393 Q CB 1.265 29.830 28.738 -0.289 0.000 1.367 393 Q HN 0.692 nan 8.270 nan 0.000 0.406 394 I N 4.879 125.184 120.570 -0.441 0.000 2.354 394 I HA 0.551 4.724 4.170 0.005 0.000 0.292 394 I C -0.957 175.065 176.117 -0.159 0.000 0.989 394 I CA -0.885 60.260 61.300 -0.259 0.000 1.188 394 I CB 0.694 38.630 38.000 -0.106 0.000 1.342 394 I HN 0.478 nan 8.210 nan 0.000 0.457 395 F N 3.633 123.577 119.950 -0.010 0.000 2.622 395 F HA 0.702 5.232 4.527 0.004 0.000 0.318 395 F C -0.362 175.410 175.800 -0.046 0.000 1.135 395 F CA -2.210 55.770 58.000 -0.033 0.000 1.015 395 F CB 0.257 39.232 39.000 -0.041 0.000 1.275 395 F HN 0.431 nan 8.300 nan 0.000 0.457 396 M N 2.779 122.461 119.600 0.137 0.000 2.255 396 M HA 0.770 5.252 4.480 0.005 0.000 0.336 396 M C -1.120 175.061 176.300 -0.198 0.000 1.135 396 M CA -0.234 55.057 55.300 -0.015 0.000 1.145 396 M CB 0.937 nan 32.600 nan 0.000 1.473 396 M HN 0.779 nan 8.290 nan 0.000 0.462 397 I N 2.628 123.016 120.570 -0.303 0.000 2.534 397 I HA 0.574 4.747 4.170 0.005 0.000 0.286 397 I C 0.869 176.868 176.117 -0.197 0.000 1.094 397 I CA 0.322 61.413 61.300 -0.348 0.000 1.055 397 I CB 1.223 38.847 38.000 -0.628 0.000 1.225 397 I HN 1.403 nan 8.210 nan 0.000 0.435 398 G N 8.094 116.822 108.800 -0.121 0.000 2.578 398 G HA2 -0.247 3.715 3.960 0.005 0.000 0.284 398 G HA3 -0.247 3.715 3.960 0.005 0.000 0.284 398 G C -2.160 172.719 174.900 -0.036 0.000 1.283 398 G CA -0.204 44.858 45.100 -0.064 0.000 0.944 398 G HN 0.499 nan 8.290 nan 0.000 0.558 399 P HA 0.221 nan 4.420 nan 0.000 0.258 399 P C 0.179 177.506 177.300 0.044 0.000 1.319 399 P CA 1.147 64.258 63.100 0.019 0.000 0.785 399 P CB -0.219 31.497 31.700 0.027 0.000 1.252 400 S N -1.297 114.424 115.700 0.035 0.000 2.532 400 S HA 0.782 5.255 4.470 0.005 0.000 0.301 400 S C -0.355 174.313 174.600 0.114 0.000 1.083 400 S CA -1.037 57.227 58.200 0.107 0.000 1.025 400 S CB 2.183 65.503 63.200 0.201 0.000 1.056 400 S HN 0.038 nan 8.310 nan 0.000 0.494 401 A N 2.198 125.149 122.820 0.218 0.000 2.292 401 A HA 0.633 4.955 4.320 0.005 0.000 0.319 401 A C -0.460 177.392 177.584 0.446 0.000 1.206 401 A CA -0.653 51.523 52.037 0.232 0.000 0.835 401 A CB 0.242 19.335 19.000 0.155 0.000 1.164 401 A HN 0.975 nan 8.150 nan 0.000 0.505 402 H N 1.196 120.385 119.070 0.199 0.000 2.547 402 H HA 0.345 4.903 4.556 0.005 0.000 0.342 402 H C -1.063 174.379 175.328 0.190 0.000 1.048 402 H CA -0.450 55.750 56.048 0.254 0.000 1.204 402 H CB 1.945 31.956 29.762 0.414 0.000 1.493 402 H HN 0.796 nan 8.280 nan 0.000 0.511 403 E N 3.942 124.244 120.200 0.170 0.000 2.256 403 E HA 0.205 4.557 4.350 0.005 0.000 0.243 403 E C -1.003 175.603 176.600 0.009 0.000 0.925 403 E CA -0.552 55.860 56.400 0.020 0.000 0.748 403 E CB 0.912 30.616 29.700 0.007 0.000 1.206 403 E HN 0.287 nan 8.360 nan 0.000 0.428 404 V N 3.135 123.028 119.914 -0.035 0.000 2.508 404 V HA 0.398 4.521 4.120 0.005 0.000 0.281 404 V C 0.688 176.796 176.094 0.024 0.000 1.041 404 V CA 0.114 62.434 62.300 0.033 0.000 1.016 404 V CB 1.355 33.233 31.823 0.091 0.000 0.984 404 V HN 0.680 nan 8.190 nan 0.000 0.478 405 G N 3.907 112.745 108.800 0.063 0.000 2.557 405 G HA2 0.571 4.534 3.960 0.005 0.000 0.310 405 G HA3 0.571 4.534 3.960 0.005 0.000 0.310 405 G C -1.222 173.752 174.900 0.124 0.000 1.328 405 G CA -0.338 44.812 45.100 0.084 0.000 0.945 405 G HN 0.594 nan 8.290 nan 0.000 0.494 406 V N 1.672 121.669 119.914 0.138 0.000 2.881 406 V HA 1.022 5.145 4.120 0.005 0.000 0.316 406 V C 0.365 176.460 176.094 0.001 0.000 1.070 406 V CA 0.300 62.657 62.300 0.096 0.000 0.976 406 V CB 2.160 34.047 31.823 0.106 0.000 1.038 406 V HN 1.272 nan 8.190 nan 0.000 0.446 407 G N 2.718 111.359 108.800 -0.265 0.000 2.655 407 G HA2 0.522 4.485 3.960 0.005 0.000 0.296 407 G HA3 0.522 4.485 3.960 0.005 0.000 0.296 407 G C -2.480 171.894 174.900 -0.877 0.000 1.485 407 G CA -0.429 44.240 45.100 -0.720 0.000 0.869 407 G HN 0.914 nan 8.290 nan 0.000 0.540 408 Y N 1.428 121.401 120.300 -0.546 0.000 2.581 408 Y HA 0.876 5.429 4.550 0.004 0.000 0.345 408 Y C -0.722 175.134 175.900 -0.073 0.000 1.036 408 Y CA -1.679 56.236 58.100 -0.309 0.000 1.042 408 Y CB 2.299 40.641 38.460 -0.198 0.000 1.289 408 Y HN 0.623 nan 8.280 nan 0.000 0.471 409 R N 4.791 124.743 120.500 -0.914 0.000 2.518 409 R HA 0.213 4.555 4.340 0.005 0.000 0.287 409 R C -2.534 173.281 176.300 -0.808 0.000 1.135 409 R CA -0.553 55.200 56.100 -0.578 0.000 0.967 409 R CB 0.904 31.181 30.300 -0.038 0.000 1.212 409 R HN 0.850 nan 8.270 nan 0.000 0.422 410 Y N 4.995 124.839 120.300 -0.759 0.000 2.341 410 Y HA 0.647 5.200 4.550 0.005 0.000 0.337 410 Y C -1.411 174.327 175.900 -0.270 0.000 1.014 410 Y CA -0.689 57.113 58.100 -0.496 0.000 1.111 410 Y CB 1.275 39.584 38.460 -0.252 0.000 1.194 410 Y HN 0.614 nan 8.280 nan 0.000 0.462 411 L N 5.845 126.595 121.223 -0.788 0.000 2.388 411 L HA 0.560 4.903 4.340 0.005 0.000 0.264 411 L C -1.839 174.594 176.870 -0.728 0.000 0.998 411 L CA -0.769 53.762 54.840 -0.514 0.000 0.817 411 L CB 2.110 44.143 42.059 -0.043 0.000 1.338 411 L HN 0.859 nan 8.230 nan 0.000 0.414 412 N N 1.948 120.422 118.700 -0.376 0.000 2.430 412 N HA 0.366 5.109 4.740 0.005 0.000 0.290 412 N C -1.900 173.637 175.510 0.046 0.000 1.063 412 N CA -0.538 52.388 53.050 -0.206 0.000 0.883 412 N CB 1.583 40.010 38.487 -0.100 0.000 1.465 412 N HN 0.607 nan 8.380 nan 0.000 0.493 413 E N 1.232 121.499 120.200 0.112 0.000 2.220 413 E HA 0.421 4.774 4.350 0.005 0.000 0.256 413 E C -1.302 175.453 176.600 0.258 0.000 0.881 413 E CA -0.980 55.565 56.400 0.242 0.000 0.766 413 E CB 1.439 31.316 29.700 0.294 0.000 1.187 413 E HN 0.315 nan 8.360 nan 0.000 0.419 414 S N 2.902 118.795 115.700 0.322 0.000 2.501 414 S HA 0.640 5.113 4.470 0.005 0.000 0.301 414 S C -0.244 174.576 174.600 0.367 0.000 1.096 414 S CA -0.056 58.316 58.200 0.286 0.000 1.063 414 S CB 1.603 64.984 63.200 0.302 0.000 1.042 414 S HN 0.687 nan 8.310 nan 0.000 0.494 415 T N 0.415 115.037 114.554 0.113 0.000 2.887 415 T HA 0.548 4.901 4.350 0.005 0.000 0.292 415 T C -1.246 173.439 174.700 -0.025 0.000 1.087 415 T CA -0.696 61.360 62.100 -0.073 0.000 1.009 415 T CB 1.482 70.177 68.868 -0.288 0.000 1.203 415 T HN 0.906 nan 8.240 nan 0.000 0.518 416 H N 0.657 119.540 119.070 -0.312 0.000 3.149 416 H HA 0.394 4.953 4.556 0.004 0.000 0.334 416 H C -1.378 173.754 175.328 -0.326 0.000 1.000 416 H CA -0.699 55.230 56.048 -0.198 0.000 1.415 416 H CB 1.174 30.939 29.762 0.005 0.000 1.819 416 H HN 0.873 nan 8.280 nan 0.000 0.486 417 E N 6.990 127.093 120.200 -0.160 0.000 2.256 417 E HA 0.363 4.716 4.350 0.005 0.000 0.268 417 E C -1.274 175.185 176.600 -0.236 0.000 0.877 417 E CA -0.970 55.266 56.400 -0.274 0.000 0.757 417 E CB 3.001 32.583 29.700 -0.197 0.000 1.183 417 E HN 0.480 nan 8.360 nan 0.000 0.418 418 M N 1.651 121.081 119.600 -0.282 0.000 2.755 418 M HA 0.524 5.006 4.480 0.005 0.000 0.298 418 M C -0.368 175.831 176.300 -0.169 0.000 1.251 418 M CA -0.971 54.162 55.300 -0.279 0.000 0.817 418 M CB 2.878 35.224 32.600 -0.423 0.000 1.760 418 M HN 0.376 nan 8.290 nan 0.000 0.473 419 R N 1.347 121.721 120.500 -0.211 0.000 2.569 419 R HA 0.392 4.735 4.340 0.005 0.000 0.293 419 R C -2.321 173.983 176.300 0.007 0.000 1.186 419 R CA -0.217 55.870 56.100 -0.022 0.000 0.956 419 R CB 1.259 31.575 30.300 0.026 0.000 1.196 419 R HN 0.612 nan 8.270 nan 0.000 0.444 420 Y N 3.536 123.951 120.300 0.192 0.000 2.387 420 Y HA 0.414 4.967 4.550 0.005 0.000 0.330 420 Y C 0.070 176.124 175.900 0.257 0.000 1.133 420 Y CA -0.468 57.762 58.100 0.216 0.000 1.152 420 Y CB 1.252 39.784 38.460 0.121 0.000 1.215 420 Y HN 0.421 nan 8.280 nan 0.000 0.466 421 Y N -1.480 118.945 120.300 0.208 0.000 2.588 421 Y HA 0.868 5.421 4.550 0.006 0.000 0.343 421 Y C -0.930 175.014 175.900 0.074 0.000 1.065 421 Y CA -1.369 56.801 58.100 0.117 0.000 1.038 421 Y CB 1.793 40.295 38.460 0.069 0.000 1.297 421 Y HN 0.573 nan 8.280 nan 0.000 0.467 422 T N -0.614 114.028 114.554 0.145 0.000 2.982 422 T HA 0.754 5.106 4.350 0.005 0.000 0.321 422 T C -0.748 173.982 174.700 0.051 0.000 1.229 422 T CA -0.524 61.593 62.100 0.027 0.000 1.044 422 T CB 1.207 70.044 68.868 -0.052 0.000 1.184 422 T HN 1.382 nan 8.240 nan 0.000 0.477 423 A N 2.361 125.207 122.820 0.043 0.000 2.515 423 A HA 0.436 4.758 4.320 0.005 0.000 0.263 423 A C 1.519 179.086 177.584 -0.029 0.000 1.096 423 A CA 0.091 52.145 52.037 0.028 0.000 0.769 423 A CB -0.676 18.343 19.000 0.031 0.000 1.040 423 A HN 0.988 nan 8.150 nan 0.000 0.505 424 T N 2.198 116.727 114.554 -0.040 0.000 2.822 424 T HA -0.223 4.130 4.350 0.005 0.000 0.270 424 T C 2.267 176.957 174.700 -0.018 0.000 1.064 424 T CA 1.919 63.970 62.100 -0.082 0.000 1.131 424 T CB -0.336 68.524 68.868 -0.013 0.000 0.858 424 T HN 1.113 nan 8.240 nan 0.000 0.483 425 S N 2.009 117.713 115.700 0.006 0.000 2.402 425 S HA -0.129 4.344 4.470 0.005 0.000 0.233 425 S C 1.254 175.864 174.600 0.016 0.000 1.030 425 S CA 0.962 59.174 58.200 0.020 0.000 1.003 425 S CB -0.690 62.520 63.200 0.017 0.000 0.813 425 S HN 0.667 nan 8.310 nan 0.000 0.477 426 S N -0.297 115.398 115.700 -0.008 0.000 2.652 426 S HA 0.668 5.141 4.470 0.005 0.000 0.270 426 S C 1.245 175.838 174.600 -0.012 0.000 1.243 426 S CA -0.338 57.855 58.200 -0.013 0.000 0.999 426 S CB 1.114 64.296 63.200 -0.031 0.000 0.973 426 S HN 0.378 nan 8.310 nan 0.000 0.544 427 G N -0.142 108.664 108.800 0.010 0.000 2.551 427 G HA2 0.042 4.005 3.960 0.005 0.000 0.216 427 G HA3 0.042 4.005 3.960 0.005 0.000 0.216 427 G C 0.448 175.342 174.900 -0.010 0.000 1.137 427 G CA -0.194 44.937 45.100 0.052 0.000 0.798 427 G HN 0.714 nan 8.290 nan 0.000 0.536 428 Q N 0.277 120.046 119.800 -0.053 0.000 2.283 428 Q HA 0.078 4.420 4.340 0.005 0.000 0.301 428 Q C -0.616 175.285 176.000 -0.166 0.000 1.063 428 Q CA 0.041 55.793 55.803 -0.085 0.000 0.952 428 Q CB 1.538 30.235 28.738 -0.068 0.000 1.166 428 Q HN 0.139 nan 8.270 nan 0.000 0.381 429 L N 5.735 126.848 121.223 -0.182 0.000 2.357 429 L HA 0.413 4.756 4.340 0.005 0.000 0.273 429 L C -2.039 174.724 176.870 -0.177 0.000 1.080 429 L CA -1.820 52.843 54.840 -0.295 0.000 0.803 429 L CB 0.952 42.753 42.059 -0.431 0.000 1.174 429 L HN 0.483 nan 8.230 nan 0.000 0.443 430 P HA 0.328 nan 4.420 nan 0.000 0.274 430 P C -1.344 176.017 177.300 0.101 0.000 1.237 430 P CA -0.289 62.834 63.100 0.038 0.000 0.793 430 P CB 1.391 33.175 31.700 0.139 0.000 0.977 431 S N -0.227 115.483 115.700 0.016 0.000 2.819 431 S HA 0.713 5.186 4.470 0.005 0.000 0.299 431 S C 0.208 174.647 174.600 -0.267 0.000 1.192 431 S CA -0.653 57.508 58.200 -0.064 0.000 0.847 431 S CB 0.654 63.834 63.200 -0.034 0.000 1.224 431 S HN 0.580 nan 8.310 nan 0.000 0.537 432 G N 0.352 108.958 108.800 -0.324 0.000 2.684 432 G HA2 0.417 4.379 3.960 0.005 0.000 0.255 432 G HA3 0.417 4.379 3.960 0.005 0.000 0.255 432 G C 0.580 175.415 174.900 -0.107 0.000 1.219 432 G CA 0.328 45.195 45.100 -0.389 0.000 0.901 432 G HN 2.318 nan 8.290 nan 0.000 0.548 433 S N -2.728 112.994 115.700 0.037 0.000 3.635 433 S HA -0.181 4.292 4.470 0.005 0.000 0.328 433 S C 0.124 174.762 174.600 0.063 0.000 1.135 433 S CA 1.022 59.264 58.200 0.069 0.000 0.942 433 S CB -2.180 61.033 63.200 0.021 0.000 0.930 433 S HN 2.153 nan 8.310 nan 0.000 0.512 434 S N 0.619 116.400 115.700 0.135 0.000 2.547 434 S HA 0.739 5.212 4.470 0.005 0.000 0.281 434 S C -2.980 171.689 174.600 0.114 0.000 1.118 434 S CA -1.433 56.810 58.200 0.072 0.000 0.947 434 S CB 1.420 64.646 63.200 0.043 0.000 1.053 434 S HN 0.140 nan 8.310 nan 0.000 0.482 435 P HA 0.062 nan 4.420 nan 0.000 0.263 435 P C -1.392 175.751 177.300 -0.260 0.000 1.162 435 P CA 0.509 63.401 63.100 -0.346 0.000 0.758 435 P CB -0.233 31.056 31.700 -0.684 0.000 0.773 436 Y N 0.495 120.758 120.300 -0.062 0.000 2.361 436 Y HA 0.506 5.059 4.550 0.004 0.000 0.337 436 Y C 0.085 176.064 175.900 0.132 0.000 0.965 436 Y CA -1.506 56.546 58.100 -0.079 0.000 1.091 436 Y CB 1.206 39.296 38.460 -0.616 0.000 1.182 436 Y HN 0.293 nan 8.280 nan 0.000 0.450 437 D N 3.380 123.995 120.400 0.359 0.000 2.501 437 D HA 0.183 4.825 4.640 0.005 0.000 0.226 437 D C -0.243 176.114 176.300 0.096 0.000 1.198 437 D CA -0.231 53.849 54.000 0.134 0.000 0.830 437 D CB 0.272 40.988 40.800 -0.141 0.000 1.014 437 D HN 0.695 nan 8.370 nan 0.000 0.496 438 R N 0.646 121.236 120.500 0.148 0.000 2.792 438 R HA 0.207 4.549 4.340 0.005 0.000 0.285 438 R C -2.432 173.858 176.300 -0.018 0.000 1.207 438 R CA -0.358 55.775 56.100 0.054 0.000 1.091 438 R CB 0.848 31.152 30.300 0.007 0.000 1.263 438 R HN -0.054 nan 8.270 nan 0.000 0.403 439 D N 2.966 123.369 120.400 0.005 0.000 2.575 439 D HA 0.341 4.983 4.640 0.005 0.000 0.250 439 D C -1.444 174.865 176.300 0.015 0.000 1.279 439 D CA 0.132 54.093 54.000 -0.066 0.000 0.925 439 D CB 2.222 42.940 40.800 -0.137 0.000 1.261 439 D HN 0.493 nan 8.370 nan 0.000 0.567 440 T N 2.244 116.818 114.554 0.034 0.000 2.812 440 T HA 0.719 5.071 4.350 0.005 0.000 0.294 440 T C -1.322 173.388 174.700 0.016 0.000 1.159 440 T CA -0.650 61.456 62.100 0.009 0.000 1.008 440 T CB 1.282 70.133 68.868 -0.028 0.000 1.289 440 T HN 0.344 nan 8.240 nan 0.000 0.514 441 R N 1.754 122.201 120.500 -0.089 0.000 2.531 441 R HA 0.546 4.889 4.340 0.005 0.000 0.293 441 R C -0.975 175.129 176.300 -0.327 0.000 1.124 441 R CA -0.601 55.406 56.100 -0.154 0.000 0.945 441 R CB 2.012 32.236 30.300 -0.126 0.000 1.195 441 R HN 0.635 nan 8.270 nan 0.000 0.433 442 S N 0.113 115.473 115.700 -0.567 0.000 2.768 442 S HA 0.923 5.396 4.470 0.005 0.000 0.300 442 S C 0.006 173.806 174.600 -1.332 0.000 1.122 442 S CA -0.599 56.942 58.200 -1.098 0.000 0.995 442 S CB 1.974 64.271 63.200 -1.506 0.000 1.195 442 S HN 0.744 nan 8.310 nan 0.000 0.547 443 G N -0.495 107.360 108.800 -1.574 0.000 2.466 443 G HA2 0.545 4.508 3.960 0.005 0.000 0.291 443 G HA3 0.545 4.508 3.960 0.005 0.000 0.291 443 G C -1.781 173.054 174.900 -0.109 0.000 1.460 443 G CA -0.514 44.142 45.100 -0.741 0.000 0.791 443 G HN 0.693 nan 8.290 nan 0.000 0.505 444 T N -0.289 114.353 114.554 0.146 0.000 2.957 444 T HA 0.549 4.902 4.350 0.005 0.000 0.336 444 T C -1.436 173.226 174.700 -0.065 0.000 1.462 444 T CA -0.692 61.458 62.100 0.083 0.000 1.073 444 T CB 2.304 71.201 68.868 0.049 0.000 1.319 444 T HN 0.706 nan 8.240 nan 0.000 0.485 445 E N 1.156 121.254 120.200 -0.170 0.000 2.255 445 E HA 0.659 5.011 4.350 0.005 0.000 0.256 445 E C -1.325 174.976 176.600 -0.498 0.000 0.887 445 E CA -0.757 55.457 56.400 -0.310 0.000 0.782 445 E CB 0.934 30.595 29.700 -0.065 0.000 1.214 445 E HN 0.809 nan 8.360 nan 0.000 0.417 446 A N 5.043 127.409 122.820 -0.756 0.000 2.319 446 A HA 0.467 4.789 4.320 0.005 0.000 0.310 446 A C -1.254 175.992 177.584 -0.564 0.000 1.152 446 A CA -0.714 50.904 52.037 -0.697 0.000 0.783 446 A CB 0.762 19.086 19.000 -1.127 0.000 1.184 446 A HN 0.693 nan 8.150 nan 0.000 0.474 447 H N 1.715 120.767 119.070 -0.030 0.000 2.541 447 H HA 0.596 5.155 4.556 0.004 0.000 0.316 447 H C -0.026 175.267 175.328 -0.057 0.000 1.043 447 H CA 0.137 56.211 56.048 0.043 0.000 1.232 447 H CB 1.673 31.669 29.762 0.389 0.000 1.406 447 H HN 0.814 nan 8.280 nan 0.000 0.469 448 A N 3.767 126.473 122.820 -0.190 0.000 2.355 448 A HA 0.658 4.981 4.320 0.005 0.000 0.324 448 A C -1.510 176.025 177.584 -0.080 0.000 1.117 448 A CA -0.706 51.326 52.037 -0.008 0.000 0.785 448 A CB 1.162 20.226 19.000 0.107 0.000 1.254 448 A HN 0.649 nan 8.150 nan 0.000 0.453 449 W N 0.464 122.042 121.300 0.464 0.000 3.022 449 W HA 0.647 5.309 4.660 0.004 0.000 0.335 449 W C -1.094 175.667 176.519 0.403 0.000 1.133 449 W CA -0.354 57.216 57.345 0.375 0.000 1.219 449 W CB 1.097 30.758 29.460 0.334 0.000 1.409 449 W HN 0.716 nan 8.180 nan 0.000 0.507 450 Y N 0.897 121.426 120.300 0.381 0.000 2.534 450 Y HA 0.886 5.439 4.550 0.005 0.000 0.345 450 Y C -1.656 174.354 175.900 0.182 0.000 1.031 450 Y CA -2.057 56.182 58.100 0.231 0.000 1.022 450 Y CB 1.495 40.035 38.460 0.134 0.000 1.292 450 Y HN 0.417 nan 8.280 nan 0.000 0.459 451 L N 3.446 124.841 121.223 0.286 0.000 2.588 451 L HA 0.694 5.037 4.340 0.005 0.000 0.263 451 L C -2.135 174.816 176.870 0.135 0.000 0.935 451 L CA -0.356 54.589 54.840 0.176 0.000 0.891 451 L CB 1.995 44.132 42.059 0.130 0.000 1.318 451 L HN 0.983 nan 8.230 nan 0.000 0.409 452 D N 1.260 121.726 120.400 0.109 0.000 2.570 452 D HA 0.628 5.271 4.640 0.005 0.000 0.244 452 D C -1.565 174.766 176.300 0.051 0.000 1.178 452 D CA -0.415 53.625 54.000 0.066 0.000 0.881 452 D CB 1.805 42.633 40.800 0.047 0.000 1.453 452 D HN 0.341 nan 8.370 nan 0.000 0.447 453 D N -0.341 120.071 120.400 0.021 0.000 2.336 453 D HA 0.169 4.812 4.640 0.005 0.000 0.248 453 D C -1.228 175.051 176.300 -0.035 0.000 1.326 453 D CA -0.512 53.490 54.000 0.004 0.000 0.973 453 D CB 0.950 41.742 40.800 -0.013 0.000 1.255 453 D HN 0.368 nan 8.370 nan 0.000 0.558 454 K N 4.345 124.743 120.400 -0.005 0.000 2.412 454 K HA 0.194 4.517 4.320 0.005 0.000 0.284 454 K C -0.335 176.260 176.600 -0.010 0.000 1.046 454 K CA -0.135 56.154 56.287 0.004 0.000 0.999 454 K CB 0.397 32.913 32.500 0.028 0.000 0.941 454 K HN 0.423 nan 8.250 nan 0.000 0.474 455 I N 4.168 124.725 120.570 -0.021 0.000 2.404 455 I HA 0.261 4.433 4.170 0.005 0.000 0.293 455 I C -0.167 176.015 176.117 0.108 0.000 0.992 455 I CA -0.535 60.752 61.300 -0.021 0.000 1.149 455 I CB 1.624 39.543 38.000 -0.134 0.000 1.315 455 I HN 0.629 nan 8.210 nan 0.000 0.446 456 D N 5.919 126.418 120.400 0.165 0.000 2.248 456 D HA 0.642 5.285 4.640 0.005 0.000 0.246 456 D C -0.846 175.561 176.300 0.179 0.000 1.027 456 D CA -0.234 53.868 54.000 0.170 0.000 0.853 456 D CB 3.289 44.171 40.800 0.137 0.000 1.243 456 D HN 0.328 nan 8.370 nan 0.000 0.462 457 I N 0.761 121.448 120.570 0.196 0.000 2.710 457 I HA 0.331 4.504 4.170 0.005 0.000 0.283 457 I C 0.375 176.634 176.117 0.238 0.000 1.355 457 I CA 0.340 61.751 61.300 0.185 0.000 1.094 457 I CB 0.935 39.034 38.000 0.165 0.000 1.365 457 I HN 0.632 nan 8.210 nan 0.000 0.435 458 G N 6.699 115.598 108.800 0.164 0.000 2.602 458 G HA2 -0.346 3.616 3.960 0.005 0.000 0.310 458 G HA3 -0.346 3.616 3.960 0.005 0.000 0.310 458 G C 0.513 175.477 174.900 0.107 0.000 1.183 458 G CA 0.681 45.878 45.100 0.162 0.000 0.979 458 G HN 0.740 nan 8.290 nan 0.000 0.545 459 N N 0.816 119.594 118.700 0.130 0.000 2.238 459 N HA 0.226 4.969 4.740 0.005 0.000 0.222 459 N C -0.668 174.886 175.510 0.073 0.000 1.133 459 N CA 0.200 53.255 53.050 0.009 0.000 0.854 459 N CB 0.337 38.793 38.487 -0.052 0.000 1.041 459 N HN 0.446 nan 8.380 nan 0.000 0.510 460 W N 0.638 122.045 121.300 0.178 0.000 2.520 460 W HA 0.408 5.070 4.660 0.004 0.000 0.323 460 W C -0.108 176.509 176.519 0.163 0.000 1.062 460 W CA -0.410 57.036 57.345 0.169 0.000 1.215 460 W CB 1.352 30.872 29.460 0.099 0.000 1.340 460 W HN -0.285 nan 8.180 nan 0.000 0.516 461 T N 4.269 119.053 114.554 0.383 0.000 3.008 461 T HA 0.461 4.813 4.350 0.005 0.000 0.328 461 T C -0.661 174.160 174.700 0.200 0.000 1.020 461 T CA -0.480 61.773 62.100 0.255 0.000 1.043 461 T CB 0.118 69.123 68.868 0.227 0.000 1.010 461 T HN 0.149 nan 8.240 nan 0.000 0.466 462 I N 3.142 123.811 120.570 0.166 0.000 2.339 462 I HA 0.340 4.513 4.170 0.005 0.000 0.290 462 I C -0.019 176.119 176.117 0.036 0.000 0.994 462 I CA -0.552 60.812 61.300 0.105 0.000 1.191 462 I CB 1.508 39.557 38.000 0.082 0.000 1.343 462 I HN 0.490 nan 8.210 nan 0.000 0.458 463 T N 6.887 121.453 114.554 0.020 0.000 3.060 463 T HA 0.293 4.646 4.350 0.005 0.000 0.367 463 T C -2.531 172.163 174.700 -0.011 0.000 1.229 463 T CA -1.333 60.764 62.100 -0.005 0.000 1.104 463 T CB 0.653 69.515 68.868 -0.010 0.000 1.083 463 T HN 0.352 nan 8.240 nan 0.000 0.524 464 P HA 0.415 nan 4.420 nan 0.000 0.286 464 P C -0.068 177.234 177.300 0.004 0.000 1.321 464 P CA 0.043 63.138 63.100 -0.008 0.000 0.790 464 P CB 1.012 32.705 31.700 -0.012 0.000 0.897 465 G N 3.353 112.157 108.800 0.007 0.000 2.605 465 G HA2 0.709 4.671 3.960 0.005 0.000 0.296 465 G HA3 0.709 4.671 3.960 0.005 0.000 0.296 465 G C -1.406 173.520 174.900 0.043 0.000 1.304 465 G CA -0.565 44.553 45.100 0.031 0.000 0.941 465 G HN 0.395 nan 8.290 nan 0.000 0.475 466 M N 0.908 120.559 119.600 0.084 0.000 2.324 466 M HA 0.448 4.931 4.480 0.005 0.000 0.288 466 M C -1.176 175.238 176.300 0.189 0.000 1.097 466 M CA -0.629 54.737 55.300 0.111 0.000 0.928 466 M CB 2.466 35.124 32.600 0.097 0.000 1.648 466 M HN 0.697 nan 8.290 nan 0.000 0.460 467 R N 2.944 123.564 120.500 0.200 0.000 2.562 467 R HA 0.686 5.029 4.340 0.005 0.000 0.298 467 R C -2.203 174.303 176.300 0.344 0.000 0.961 467 R CA -0.333 55.935 56.100 0.280 0.000 0.881 467 R CB 1.840 32.237 30.300 0.160 0.000 1.159 467 R HN 0.595 nan 8.270 nan 0.000 0.450 468 F N 2.754 122.874 119.950 0.284 0.000 2.539 468 F HA 0.413 4.942 4.527 0.004 0.000 0.318 468 F C -1.157 174.872 175.800 0.382 0.000 1.135 468 F CA -0.452 57.712 58.000 0.273 0.000 0.915 468 F CB 1.920 41.070 39.000 0.249 0.000 1.176 468 F HN 0.515 nan 8.300 nan 0.000 0.440 469 E N 3.527 123.355 120.200 -0.619 0.000 2.222 469 E HA 0.174 4.527 4.350 0.005 0.000 0.267 469 E C -1.682 174.600 176.600 -0.529 0.000 0.884 469 E CA -1.002 55.176 56.400 -0.370 0.000 0.764 469 E CB 1.976 31.567 29.700 -0.182 0.000 1.169 469 E HN 0.556 nan 8.360 nan 0.000 0.413 470 H N 3.642 122.608 119.070 -0.173 0.000 2.691 470 H HA 0.245 4.804 4.556 0.004 0.000 0.281 470 H C -0.985 174.346 175.328 0.004 0.000 1.121 470 H CA -0.661 55.381 56.048 -0.010 0.000 1.254 470 H CB -0.067 29.884 29.762 0.315 0.000 1.390 470 H HN 0.284 nan 8.280 nan 0.000 0.491 471 I N 4.049 124.424 120.570 -0.324 0.000 2.342 471 I HA 0.251 4.423 4.170 0.005 0.000 0.291 471 I C 0.075 176.009 176.117 -0.305 0.000 1.010 471 I CA -0.339 60.757 61.300 -0.341 0.000 1.308 471 I CB 0.990 38.877 38.000 -0.189 0.000 1.400 471 I HN 0.636 nan 8.210 nan 0.000 0.488 472 E N 4.737 124.779 120.200 -0.265 0.000 2.220 472 E HA 0.447 4.800 4.350 0.005 0.000 0.256 472 E C -1.088 175.526 176.600 0.023 0.000 0.881 472 E CA -0.405 55.951 56.400 -0.073 0.000 0.766 472 E CB 1.917 31.597 29.700 -0.033 0.000 1.187 472 E HN 0.507 nan 8.360 nan 0.000 0.419 473 S N 2.304 118.066 115.700 0.103 0.000 2.500 473 S HA 0.528 5.001 4.470 0.005 0.000 0.301 473 S C -1.062 173.684 174.600 0.243 0.000 1.092 473 S CA -0.841 57.464 58.200 0.175 0.000 1.030 473 S CB 0.650 63.933 63.200 0.137 0.000 1.031 473 S HN 0.512 nan 8.310 nan 0.000 0.483 474 Y N 0.732 121.079 120.300 0.078 0.000 2.499 474 Y HA 0.792 5.345 4.550 0.004 0.000 0.347 474 Y C -0.765 175.063 175.900 -0.120 0.000 0.987 474 Y CA -1.164 56.926 58.100 -0.016 0.000 1.044 474 Y CB 1.271 39.695 38.460 -0.059 0.000 1.245 474 Y HN 0.612 nan 8.280 nan 0.000 0.461 475 Q N 2.736 122.440 119.800 -0.160 0.000 2.337 475 Q HA 0.517 4.860 4.340 0.005 0.000 0.270 475 Q C -2.092 173.810 176.000 -0.163 0.000 1.043 475 Q CA -0.702 54.953 55.803 -0.246 0.000 0.794 475 Q CB 1.638 30.318 28.738 -0.097 0.000 1.281 475 Q HN 0.780 nan 8.270 nan 0.000 0.446 476 N N 3.537 122.155 118.700 -0.136 0.000 2.524 476 N HA 0.201 4.944 4.740 0.005 0.000 0.261 476 N C -1.521 173.976 175.510 -0.021 0.000 0.998 476 N CA -0.499 52.512 53.050 -0.064 0.000 0.915 476 N CB 1.333 39.812 38.487 -0.014 0.000 1.187 476 N HN 0.643 nan 8.380 nan 0.000 0.507 477 N N 1.555 120.262 118.700 0.011 0.000 2.411 477 N HA 0.139 4.882 4.740 0.005 0.000 0.259 477 N C 0.596 176.133 175.510 0.046 0.000 1.103 477 N CA -0.072 52.995 53.050 0.028 0.000 0.954 477 N CB 1.197 39.707 38.487 0.039 0.000 1.085 477 N HN 0.526 nan 8.380 nan 0.000 0.485 478 A N 5.032 127.881 122.820 0.048 0.000 2.123 478 A HA 0.000 4.323 4.320 0.005 0.000 0.214 478 A C 1.912 179.549 177.584 0.089 0.000 1.152 478 A CA 0.470 52.545 52.037 0.063 0.000 0.728 478 A CB -0.064 18.971 19.000 0.057 0.000 0.814 478 A HN 0.687 nan 8.150 nan 0.000 0.464 479 I N 0.245 120.873 120.570 0.096 0.000 2.270 479 I HA -0.126 4.047 4.170 0.005 0.000 0.239 479 I C 2.836 178.991 176.117 0.063 0.000 1.080 479 I CA 2.256 63.613 61.300 0.095 0.000 1.383 479 I CB -1.698 36.359 38.000 0.095 0.000 1.097 479 I HN 0.502 nan 8.210 nan 0.000 0.420 480 T N -1.536 113.051 114.554 0.056 0.000 2.985 480 T HA 0.113 4.466 4.350 0.005 0.000 0.266 480 T C 1.738 176.470 174.700 0.053 0.000 1.076 480 T CA 1.347 63.475 62.100 0.048 0.000 1.135 480 T CB 0.040 68.935 68.868 0.046 0.000 0.890 480 T HN 0.521 nan 8.240 nan 0.000 0.480 481 G N 1.383 110.220 108.800 0.061 0.000 2.363 481 G HA2 -0.310 3.653 3.960 0.005 0.000 0.238 481 G HA3 -0.310 3.653 3.960 0.005 0.000 0.238 481 G C 0.576 175.530 174.900 0.090 0.000 1.062 481 G CA 0.673 45.814 45.100 0.069 0.000 0.629 481 G HN 1.430 nan 8.290 nan 0.000 0.514 482 T N -0.973 113.631 114.554 0.084 0.000 2.891 482 T HA 0.304 4.657 4.350 0.005 0.000 0.296 482 T C -0.017 174.774 174.700 0.153 0.000 1.025 482 T CA 0.960 63.123 62.100 0.106 0.000 1.149 482 T CB 0.900 69.818 68.868 0.083 0.000 1.007 482 T HN 0.942 nan 8.240 nan 0.000 0.528 483 H N 1.377 120.482 119.070 0.057 0.000 2.489 483 H HA 0.584 5.143 4.556 0.004 0.000 0.343 483 H C -0.522 174.856 175.328 0.084 0.000 1.086 483 H CA -0.904 55.189 56.048 0.076 0.000 1.198 483 H CB 1.246 31.048 29.762 0.066 0.000 1.490 483 H HN 0.761 nan 8.280 nan 0.000 0.504 484 E N 2.609 122.958 120.200 0.248 0.000 2.359 484 E HA 0.375 4.728 4.350 0.005 0.000 0.266 484 E C -1.038 175.719 176.600 0.263 0.000 0.920 484 E CA -0.814 55.736 56.400 0.250 0.000 0.788 484 E CB 2.243 32.030 29.700 0.145 0.000 1.279 484 E HN 0.639 nan 8.360 nan 0.000 0.438 485 E N -0.111 120.240 120.200 0.250 0.000 2.390 485 E HA 0.601 4.954 4.350 0.005 0.000 0.277 485 E C -1.478 175.265 176.600 0.238 0.000 0.939 485 E CA -1.029 55.525 56.400 0.258 0.000 0.769 485 E CB 2.375 32.245 29.700 0.284 0.000 1.251 485 E HN 0.250 nan 8.360 nan 0.000 0.450 486 V N -1.551 118.527 119.914 0.273 0.000 2.888 486 V HA 0.895 5.018 4.120 0.005 0.000 0.309 486 V C -0.935 175.405 176.094 0.411 0.000 1.114 486 V CA -0.736 61.804 62.300 0.400 0.000 0.940 486 V CB 1.733 33.869 31.823 0.523 0.000 1.021 486 V HN 0.788 nan 8.190 nan 0.000 0.426 487 S N 3.210 119.243 115.700 0.555 0.000 2.652 487 S HA 0.737 5.210 4.470 0.005 0.000 0.273 487 S C -1.361 173.659 174.600 0.701 0.000 1.172 487 S CA -0.659 57.814 58.200 0.456 0.000 1.009 487 S CB 0.692 64.049 63.200 0.261 0.000 1.094 487 S HN 1.002 nan 8.310 nan 0.000 0.471 488 Y N 1.421 121.807 120.300 0.143 0.000 2.512 488 Y HA 0.571 5.124 4.550 0.004 0.000 0.348 488 Y C -0.023 175.902 175.900 0.042 0.000 0.990 488 Y CA -1.521 56.693 58.100 0.191 0.000 1.033 488 Y CB 1.768 40.480 38.460 0.420 0.000 1.259 488 Y HN 0.529 nan 8.280 nan 0.000 0.461 489 N N 1.344 120.163 118.700 0.199 0.000 2.399 489 N HA 0.580 5.323 4.740 0.005 0.000 0.295 489 N C -1.236 174.136 175.510 -0.230 0.000 1.048 489 N CA -0.498 52.550 53.050 -0.003 0.000 0.886 489 N CB 2.159 40.830 38.487 0.307 0.000 1.185 489 N HN 0.759 nan 8.380 nan 0.000 0.487 490 A N 2.897 125.353 122.820 -0.607 0.000 2.409 490 A HA 0.438 4.760 4.320 0.005 0.000 0.300 490 A C -2.571 174.896 177.584 -0.195 0.000 1.273 490 A CA -1.335 50.403 52.037 -0.498 0.000 0.774 490 A CB 1.011 19.395 19.000 -1.025 0.000 1.144 490 A HN 0.355 nan 8.150 nan 0.000 0.472 491 P HA 0.376 nan 4.420 nan 0.000 0.286 491 P C -0.841 176.553 177.300 0.157 0.000 1.269 491 P CA -0.060 63.234 63.100 0.323 0.000 0.787 491 P CB 1.269 33.138 31.700 0.283 0.000 0.920 492 L N 5.856 127.171 121.223 0.153 0.000 2.457 492 L HA 0.361 4.704 4.340 0.005 0.000 0.252 492 L C -2.429 174.477 176.870 0.060 0.000 1.132 492 L CA -2.058 52.831 54.840 0.082 0.000 0.938 492 L CB 1.753 43.848 42.059 0.060 0.000 1.246 492 L HN 0.131 nan 8.230 nan 0.000 0.476 493 P HA 0.282 nan 4.420 nan 0.000 0.271 493 P C -0.837 176.438 177.300 -0.041 0.000 1.218 493 P CA -0.083 63.022 63.100 0.009 0.000 0.780 493 P CB 1.194 32.897 31.700 0.004 0.000 0.901 494 A N 2.489 125.285 122.820 -0.041 0.000 2.547 494 A HA 0.733 5.056 4.320 0.005 0.000 0.297 494 A C -1.924 175.623 177.584 -0.062 0.000 1.056 494 A CA -0.445 51.548 52.037 -0.075 0.000 0.688 494 A CB 0.984 19.950 19.000 -0.056 0.000 1.282 494 A HN 0.509 nan 8.150 nan 0.000 0.400 495 L N 1.750 122.922 121.223 -0.085 0.000 2.464 495 L HA 0.673 5.016 4.340 0.005 0.000 0.266 495 L C -1.398 175.447 176.870 -0.043 0.000 0.965 495 L CA -0.145 54.665 54.840 -0.050 0.000 0.833 495 L CB 2.185 44.222 42.059 -0.035 0.000 1.296 495 L HN 0.791 nan 8.230 nan 0.000 0.405 496 N N 3.254 121.941 118.700 -0.021 0.000 2.258 496 N HA 0.770 5.513 4.740 0.005 0.000 0.299 496 N C -1.701 173.834 175.510 0.041 0.000 1.047 496 N CA -0.673 52.369 53.050 -0.014 0.000 0.814 496 N CB 2.893 41.337 38.487 -0.072 0.000 1.413 496 N HN 0.369 nan 8.380 nan 0.000 0.478 497 V N 2.421 122.387 119.914 0.087 0.000 2.686 497 V HA 0.709 4.831 4.120 0.005 0.000 0.306 497 V C -1.877 174.298 176.094 0.136 0.000 1.065 497 V CA -0.650 61.746 62.300 0.160 0.000 0.894 497 V CB 1.567 33.536 31.823 0.244 0.000 1.004 497 V HN 0.577 nan 8.190 nan 0.000 0.424 498 L N 7.139 128.420 121.223 0.096 0.000 2.385 498 L HA 0.897 5.240 4.340 0.005 0.000 0.273 498 L C -0.678 176.083 176.870 -0.183 0.000 0.990 498 L CA -0.048 54.765 54.840 -0.045 0.000 0.821 498 L CB 1.763 43.749 42.059 -0.122 0.000 1.279 498 L HN 0.987 nan 8.230 nan 0.000 0.412 499 Y N 1.510 121.606 120.300 -0.340 0.000 2.393 499 Y HA 0.632 5.185 4.550 0.005 0.000 0.341 499 Y C -0.959 174.707 175.900 -0.389 0.000 0.988 499 Y CA -1.032 56.744 58.100 -0.539 0.000 1.078 499 Y CB 0.965 38.971 38.460 -0.757 0.000 1.203 499 Y HN 0.838 nan 8.280 nan 0.000 0.453 500 H N 4.409 123.346 119.070 -0.221 0.000 2.818 500 H HA 0.412 4.971 4.556 0.005 0.000 0.269 500 H C 1.025 176.322 175.328 -0.051 0.000 1.277 500 H CA -0.424 55.591 56.048 -0.055 0.000 1.290 500 H CB 0.974 30.737 29.762 0.001 0.000 1.479 500 H HN 0.837 nan 8.280 nan 0.000 0.507 501 L N 1.163 122.420 121.223 0.056 0.000 1.970 501 L HA -0.112 4.230 4.340 0.005 0.000 0.212 501 L C 1.207 178.121 176.870 0.074 0.000 1.071 501 L CA 1.756 56.596 54.840 -0.001 0.000 0.751 501 L CB 0.008 42.009 42.059 -0.097 0.000 0.889 501 L HN 0.671 nan 8.230 nan 0.000 0.432 502 T N -6.234 108.438 114.554 0.197 0.000 2.804 502 T HA 0.313 4.666 4.350 0.005 0.000 0.290 502 T C 0.442 175.306 174.700 0.273 0.000 1.099 502 T CA -0.032 62.192 62.100 0.206 0.000 1.011 502 T CB 1.269 70.262 68.868 0.208 0.000 1.291 502 T HN 0.135 nan 8.240 nan 0.000 0.523 503 D N -0.562 119.963 120.400 0.209 0.000 2.403 503 D HA 0.146 4.789 4.640 0.005 0.000 0.227 503 D C 1.367 177.792 176.300 0.209 0.000 0.995 503 D CA 1.110 55.222 54.000 0.186 0.000 0.928 503 D CB -0.500 nan 40.800 nan 0.000 0.887 503 D HN 1.039 nan 8.370 nan 0.000 0.529 504 S N -2.768 113.129 115.700 0.328 0.000 3.093 504 S HA 0.314 4.786 4.470 0.005 0.000 0.251 504 S C -0.640 174.401 174.600 0.735 0.000 0.905 504 S CA -0.595 57.822 58.200 0.362 0.000 1.124 504 S CB -0.018 63.353 63.200 0.285 0.000 1.124 504 S HN 0.501 nan 8.310 nan 0.000 0.574 505 W N 2.443 124.052 121.300 0.515 0.000 3.268 505 W HA 0.510 5.172 4.660 0.004 0.000 0.330 505 W C -2.211 174.410 176.519 0.170 0.000 1.074 505 W CA -0.577 57.004 57.345 0.394 0.000 1.263 505 W CB 1.271 30.817 29.460 0.144 0.000 1.250 505 W HN 0.135 nan 8.180 nan 0.000 0.425 506 N N 3.918 122.814 118.700 0.328 0.000 2.335 506 N HA 0.640 5.383 4.740 0.005 0.000 0.304 506 N C -1.369 174.208 175.510 0.112 0.000 1.135 506 N CA -0.635 52.450 53.050 0.058 0.000 0.817 506 N CB 2.402 40.709 38.487 -0.299 0.000 1.294 506 N HN 0.206 nan 8.380 nan 0.000 0.497 507 L N 1.534 122.755 121.223 -0.002 0.000 2.346 507 L HA 0.552 4.895 4.340 0.005 0.000 0.274 507 L C -0.889 175.968 176.870 -0.021 0.000 1.007 507 L CA -0.725 54.092 54.840 -0.038 0.000 0.818 507 L CB 1.021 43.026 42.059 -0.090 0.000 1.284 507 L HN 0.575 nan 8.230 nan 0.000 0.424 508 Y N 1.169 121.440 120.300 -0.047 0.000 2.625 508 Y HA 0.963 5.516 4.550 0.004 0.000 0.338 508 Y C -1.117 174.791 175.900 0.013 0.000 1.123 508 Y CA -1.418 56.656 58.100 -0.044 0.000 1.046 508 Y CB 1.515 39.927 38.460 -0.081 0.000 1.299 508 Y HN 0.730 nan 8.280 nan 0.000 0.464 509 A N 2.283 125.266 122.820 0.271 0.000 2.604 509 A HA 0.801 5.124 4.320 0.005 0.000 0.295 509 A C -1.744 175.961 177.584 0.201 0.000 1.067 509 A CA -0.290 51.876 52.037 0.216 0.000 0.683 509 A CB 1.654 20.737 19.000 0.138 0.000 1.281 509 A HN 1.497 nan 8.150 nan 0.000 0.407 510 N N -0.645 118.156 118.700 0.169 0.000 3.179 510 N HA 0.764 5.507 4.740 0.005 0.000 0.250 510 N C -1.068 174.407 175.510 -0.057 0.000 1.507 510 N CA 0.094 53.172 53.050 0.047 0.000 0.883 510 N CB 1.824 40.313 38.487 0.003 0.000 1.435 510 N HN 0.948 nan 8.380 nan 0.000 0.532 511 T N -0.682 113.742 114.554 -0.216 0.000 3.933 511 T HA 0.477 4.829 4.350 0.005 0.000 0.357 511 T C -2.108 172.364 174.700 -0.380 0.000 1.077 511 T CA -0.393 61.410 62.100 -0.496 0.000 1.082 511 T CB 0.383 68.585 68.868 -1.110 0.000 1.158 511 T HN 0.630 nan 8.240 nan 0.000 0.472 512 E N 1.926 121.942 120.200 -0.306 0.000 2.359 512 E HA 0.817 5.170 4.350 0.005 0.000 0.266 512 E C 0.205 176.691 176.600 -0.191 0.000 0.920 512 E CA -0.844 55.436 56.400 -0.199 0.000 0.788 512 E CB 1.823 31.445 29.700 -0.130 0.000 1.279 512 E HN 0.751 nan 8.360 nan 0.000 0.438 513 G N -0.406 108.321 108.800 -0.122 0.000 2.788 513 G HA2 0.695 4.658 3.960 0.005 0.000 0.293 513 G HA3 0.695 4.658 3.960 0.005 0.000 0.293 513 G C -0.833 174.036 174.900 -0.051 0.000 1.305 513 G CA -0.479 44.566 45.100 -0.092 0.000 1.005 513 G HN 0.605 nan 8.290 nan 0.000 0.496 514 S N -1.789 113.898 115.700 -0.022 0.000 2.688 514 S HA 0.832 5.305 4.470 0.005 0.000 0.275 514 S C -1.605 173.089 174.600 0.157 0.000 1.175 514 S CA -0.798 57.419 58.200 0.030 0.000 0.818 514 S CB 2.113 65.293 63.200 -0.032 0.000 1.157 514 S HN 1.733 nan 8.310 nan 0.000 0.482 515 F N -0.253 119.675 119.950 -0.038 0.000 2.639 515 F HA 0.645 5.175 4.527 0.005 0.000 0.320 515 F C -0.731 175.048 175.800 -0.036 0.000 1.128 515 F CA -0.137 57.857 58.000 -0.010 0.000 1.037 515 F CB 1.246 40.249 39.000 0.006 0.000 1.288 515 F HN 1.038 nan 8.300 nan 0.000 0.463 516 G N 3.573 112.129 108.800 -0.406 0.000 2.671 516 G HA2 0.432 4.395 3.960 0.005 0.000 0.318 516 G HA3 0.432 4.395 3.960 0.005 0.000 0.318 516 G C -0.369 174.168 174.900 -0.604 0.000 1.250 516 G CA -0.418 44.480 45.100 -0.337 0.000 1.028 516 G HN 0.890 nan 8.290 nan 0.000 0.501 517 T N 1.310 115.621 114.554 -0.405 0.000 2.946 517 T HA 0.033 4.386 4.350 0.005 0.000 0.312 517 T C 0.942 175.396 174.700 -0.408 0.000 1.066 517 T CA -0.227 61.603 62.100 -0.450 0.000 1.138 517 T CB 0.369 69.155 68.868 -0.136 0.000 1.014 517 T HN 0.333 nan 8.240 nan 0.000 0.544 518 V N 6.620 126.282 119.914 -0.421 0.000 2.539 518 V HA 0.001 4.123 4.120 0.005 0.000 0.300 518 V C 1.108 177.063 176.094 -0.232 0.000 1.019 518 V CA 0.422 62.579 62.300 -0.238 0.000 1.160 518 V CB -0.088 31.707 31.823 -0.047 0.000 0.901 518 V HN 0.912 nan 8.190 nan 0.000 0.481 519 Q N 3.641 123.293 119.800 -0.247 0.000 2.417 519 Q HA 0.153 4.496 4.340 0.005 0.000 0.241 519 Q C 0.394 176.302 176.000 -0.153 0.000 1.008 519 Q CA -0.344 55.276 55.803 -0.306 0.000 0.901 519 Q CB 0.484 29.081 28.738 -0.234 0.000 1.259 519 Q HN 0.706 nan 8.270 nan 0.000 0.489 520 Y N -0.029 120.257 120.300 -0.024 0.000 2.315 520 Y HA -0.197 4.356 4.550 0.004 0.000 0.288 520 Y C 2.301 178.193 175.900 -0.013 0.000 1.154 520 Y CA 1.182 59.268 58.100 -0.023 0.000 1.229 520 Y CB -0.552 37.904 38.460 -0.006 0.000 0.980 520 Y HN 0.583 nan 8.280 nan 0.000 0.540 521 S N -0.610 115.155 115.700 0.109 0.000 2.603 521 S HA -0.029 4.444 4.470 0.005 0.000 0.220 521 S C 0.982 175.595 174.600 0.021 0.000 0.967 521 S CA 0.272 58.511 58.200 0.064 0.000 0.920 521 S CB -0.334 62.896 63.200 0.051 0.000 0.773 521 S HN 0.645 nan 8.310 nan 0.000 0.529 522 Q N -0.264 119.535 119.800 -0.002 0.000 2.127 522 Q HA 0.355 4.698 4.340 0.005 0.000 0.222 522 Q C 0.919 176.917 176.000 -0.004 0.000 0.794 522 Q CA -0.441 55.341 55.803 -0.034 0.000 1.010 522 Q CB 0.180 28.840 28.738 -0.130 0.000 1.170 522 Q HN 0.336 nan 8.270 nan 0.000 0.479 523 I N 1.524 122.117 120.570 0.039 0.000 2.118 523 I HA -0.151 4.022 4.170 0.005 0.000 0.241 523 I C 1.462 177.612 176.117 0.055 0.000 1.070 523 I CA 1.545 62.883 61.300 0.063 0.000 1.327 523 I CB -1.395 36.654 38.000 0.081 0.000 1.034 523 I HN 0.194 nan 8.210 nan 0.000 0.405 524 G N 2.442 111.271 108.800 0.048 0.000 2.605 524 G HA2 0.136 4.099 3.960 0.005 0.000 0.301 524 G HA3 0.136 4.099 3.960 0.005 0.000 0.301 524 G C 0.125 175.049 174.900 0.040 0.000 0.881 524 G CA -0.355 44.773 45.100 0.046 0.000 1.553 524 G HN 0.315 nan 8.290 nan 0.000 0.483 525 K N 2.062 122.487 120.400 0.042 0.000 2.408 525 K HA 0.271 4.594 4.320 0.005 0.000 0.231 525 K C 0.918 177.550 176.600 0.054 0.000 1.261 525 K CA 0.055 56.367 56.287 0.041 0.000 1.193 525 K CB 0.596 33.122 32.500 0.044 0.000 1.431 525 K HN 0.374 nan 8.250 nan 0.000 0.243 526 A N 1.939 124.791 122.820 0.053 0.000 3.091 526 A HA 0.187 4.509 4.320 0.005 0.000 0.264 526 A C -0.293 177.332 177.584 0.068 0.000 1.673 526 A CA -0.468 51.602 52.037 0.054 0.000 1.362 526 A CB -0.001 19.025 19.000 0.044 0.000 1.137 526 A HN 0.385 nan 8.150 nan 0.000 0.617 527 V N 1.148 121.112 119.914 0.084 0.000 2.769 527 V HA 0.211 4.334 4.120 0.005 0.000 0.312 527 V C 1.408 177.546 176.094 0.073 0.000 1.058 527 V CA -0.475 61.885 62.300 0.100 0.000 0.952 527 V CB 1.843 33.768 31.823 0.170 0.000 1.019 527 V HN 0.850 nan 8.190 nan 0.000 0.445 528 Q N 2.887 122.721 119.800 0.056 0.000 2.181 528 Q HA -0.112 4.231 4.340 0.005 0.000 0.205 528 Q C 1.343 177.363 176.000 0.034 0.000 0.980 528 Q CA 2.305 58.130 55.803 0.038 0.000 0.862 528 Q CB -0.189 28.564 28.738 0.025 0.000 0.905 528 Q HN 0.913 nan 8.270 nan 0.000 0.429 529 S N -1.002 114.720 115.700 0.037 0.000 2.699 529 S HA 0.503 4.976 4.470 0.005 0.000 0.251 529 S C 0.929 175.560 174.600 0.052 0.000 1.179 529 S CA 0.209 58.429 58.200 0.033 0.000 1.200 529 S CB 0.291 63.499 63.200 0.013 0.000 0.848 529 S HN 0.659 nan 8.310 nan 0.000 0.472 530 G N 1.660 110.493 108.800 0.056 0.000 4.731 530 G HA2 -0.222 3.741 3.960 0.005 0.000 0.266 530 G HA3 -0.222 3.741 3.960 0.005 0.000 0.266 530 G C -0.269 174.675 174.900 0.073 0.000 1.635 530 G CA -0.039 45.096 45.100 0.058 0.000 1.229 530 G HN 0.598 nan 8.290 nan 0.000 0.663 531 N N -0.879 117.879 118.700 0.096 0.000 2.774 531 N HA 0.592 5.334 4.740 0.005 0.000 0.264 531 N C -0.823 174.784 175.510 0.161 0.000 1.415 531 N CA -0.017 53.095 53.050 0.103 0.000 0.815 531 N CB 2.124 40.653 38.487 0.071 0.000 1.514 531 N HN 0.498 nan 8.380 nan 0.000 0.523 532 V N 1.365 121.333 119.914 0.090 0.000 2.567 532 V HA 0.535 4.657 4.120 0.005 0.000 0.289 532 V C 1.003 177.009 176.094 -0.146 0.000 1.049 532 V CA 0.483 62.754 62.300 -0.049 0.000 0.969 532 V CB 0.249 31.938 31.823 -0.224 0.000 0.995 532 V HN 1.019 nan 8.190 nan 0.000 0.471 533 E N 4.204 124.172 120.200 -0.386 0.000 5.952 533 E HA -0.210 4.143 4.350 0.005 0.000 0.178 533 E C -2.192 174.464 176.600 0.093 0.000 1.486 533 E CA 0.547 56.849 56.400 -0.163 0.000 2.534 533 E CB -2.730 26.789 29.700 -0.301 0.000 1.952 533 E HN 0.748 nan 8.360 nan 0.000 0.448 534 P HA 0.383 nan 4.420 nan 0.000 0.282 534 P C -0.528 176.735 177.300 -0.063 0.000 1.286 534 P CA 0.060 63.076 63.100 -0.140 0.000 0.777 534 P CB 0.293 31.794 31.700 -0.333 0.000 1.184 535 E N 0.117 120.204 120.200 -0.188 0.000 2.121 535 E HA 0.238 4.591 4.350 0.005 0.000 0.255 535 E C -0.781 175.828 176.600 0.014 0.000 0.906 535 E CA -0.500 55.916 56.400 0.025 0.000 0.745 535 E CB 0.635 30.383 29.700 0.081 0.000 1.155 535 E HN 0.184 nan 8.360 nan 0.000 0.424 536 K N 1.639 122.092 120.400 0.088 0.000 2.201 536 K HA 0.633 4.956 4.320 0.005 0.000 0.278 536 K C -0.734 175.882 176.600 0.027 0.000 1.027 536 K CA -0.229 56.123 56.287 0.108 0.000 0.909 536 K CB 1.802 34.400 32.500 0.163 0.000 1.062 536 K HN 0.431 nan 8.250 nan 0.000 0.465 537 A N 2.296 125.076 122.820 -0.067 0.000 2.556 537 A HA 0.856 5.179 4.320 0.005 0.000 0.294 537 A C -1.490 175.995 177.584 -0.165 0.000 1.091 537 A CA -0.726 51.163 52.037 -0.246 0.000 0.704 537 A CB 1.656 20.230 19.000 -0.709 0.000 1.300 537 A HN 0.584 nan 8.150 nan 0.000 0.406 538 R N -0.112 120.299 120.500 -0.147 0.000 2.651 538 R HA 0.742 5.085 4.340 0.005 0.000 0.278 538 R C -1.427 174.822 176.300 -0.086 0.000 1.010 538 R CA 0.145 56.183 56.100 -0.104 0.000 0.896 538 R CB 1.864 32.182 30.300 0.029 0.000 1.211 538 R HN 0.713 nan 8.270 nan 0.000 0.456 539 T N 3.048 117.479 114.554 -0.205 0.000 2.887 539 T HA 0.596 4.949 4.350 0.005 0.000 0.288 539 T C -1.444 173.124 174.700 -0.221 0.000 1.021 539 T CA -0.322 61.732 62.100 -0.075 0.000 1.000 539 T CB 0.693 69.511 68.868 -0.083 0.000 1.034 539 T HN 0.456 nan 8.240 nan 0.000 0.467 540 W N 1.623 122.973 121.300 0.082 0.000 2.781 540 W HA 0.539 5.201 4.660 0.004 0.000 0.333 540 W C -0.091 176.512 176.519 0.139 0.000 1.047 540 W CA -0.720 56.679 57.345 0.091 0.000 1.236 540 W CB 1.083 30.586 29.460 0.072 0.000 1.394 540 W HN 0.526 nan 8.180 nan 0.000 0.466 541 E N 2.828 123.215 120.200 0.312 0.000 2.266 541 E HA 0.694 5.047 4.350 0.005 0.000 0.268 541 E C -1.715 175.040 176.600 0.257 0.000 0.879 541 E CA -1.451 55.136 56.400 0.313 0.000 0.762 541 E CB 2.981 32.882 29.700 0.334 0.000 1.199 541 E HN 0.273 nan 8.360 nan 0.000 0.422 542 L N 1.051 122.365 121.223 0.152 0.000 2.470 542 L HA 0.785 5.128 4.340 0.005 0.000 0.268 542 L C -0.760 175.956 176.870 -0.257 0.000 0.964 542 L CA 0.106 54.914 54.840 -0.052 0.000 0.839 542 L CB 1.916 43.974 42.059 -0.001 0.000 1.276 542 L HN 0.711 nan 8.230 nan 0.000 0.403 543 G N 1.099 109.416 108.800 -0.805 0.000 2.441 543 G HA2 0.494 4.457 3.960 0.005 0.000 0.294 543 G HA3 0.494 4.457 3.960 0.005 0.000 0.294 543 G C -1.769 172.580 174.900 -0.919 0.000 1.393 543 G CA -0.038 44.592 45.100 -0.783 0.000 0.796 543 G HN 0.644 nan 8.290 nan 0.000 0.494 544 T N -0.934 113.480 114.554 -0.234 0.000 2.907 544 T HA 0.765 5.118 4.350 0.005 0.000 0.292 544 T C -0.852 173.938 174.700 0.151 0.000 1.043 544 T CA -0.624 61.496 62.100 0.034 0.000 1.003 544 T CB 1.740 70.737 68.868 0.214 0.000 1.084 544 T HN 0.657 nan 8.240 nan 0.000 0.483 545 R N 2.371 122.919 120.500 0.081 0.000 2.575 545 R HA 0.532 4.875 4.340 0.005 0.000 0.293 545 R C -2.010 174.238 176.300 -0.087 0.000 0.983 545 R CA -0.785 55.308 56.100 -0.012 0.000 0.887 545 R CB 1.778 32.002 30.300 -0.127 0.000 1.184 545 R HN 0.797 nan 8.270 nan 0.000 0.445 546 Y N 2.495 122.652 120.300 -0.238 0.000 2.512 546 Y HA 0.468 5.021 4.550 0.004 0.000 0.348 546 Y C -1.495 174.403 175.900 -0.004 0.000 0.990 546 Y CA -0.749 57.132 58.100 -0.365 0.000 1.033 546 Y CB 2.224 39.984 38.460 -1.167 0.000 1.259 546 Y HN 0.576 nan 8.280 nan 0.000 0.461 547 D N 3.211 123.358 120.400 -0.422 0.000 2.803 547 D HA 0.170 4.813 4.640 0.005 0.000 0.218 547 D C -1.471 174.452 176.300 -0.630 0.000 1.245 547 D CA -0.265 53.382 54.000 -0.588 0.000 0.821 547 D CB 1.978 42.465 40.800 -0.522 0.000 1.626 547 D HN 0.844 nan 8.370 nan 0.000 0.487 548 D N 1.741 121.833 120.400 -0.513 0.000 2.682 548 D HA 0.174 4.816 4.640 0.005 0.000 0.291 548 D C 1.074 177.277 176.300 -0.162 0.000 1.585 548 D CA 0.344 54.189 54.000 -0.258 0.000 0.845 548 D CB -0.196 40.515 40.800 -0.148 0.000 1.323 548 D HN 0.728 nan 8.370 nan 0.000 0.438 549 G N 0.249 108.936 108.800 -0.187 0.000 2.184 549 G HA2 -0.216 3.746 3.960 0.005 0.000 0.264 549 G HA3 -0.216 3.746 3.960 0.005 0.000 0.264 549 G C 0.858 175.682 174.900 -0.126 0.000 0.975 549 G CA 0.472 45.492 45.100 -0.134 0.000 0.642 549 G HN 1.123 nan 8.290 nan 0.000 0.536 550 A N -1.883 120.857 122.820 -0.134 0.000 1.996 550 A HA 0.657 4.980 4.320 0.005 0.000 0.185 550 A C 0.300 177.817 177.584 -0.113 0.000 1.803 550 A CA 1.008 52.936 52.037 -0.182 0.000 1.335 550 A CB 0.563 19.474 19.000 -0.148 0.000 1.486 550 A HN 1.197 nan 8.150 nan 0.000 0.408 551 L N 1.817 123.034 121.223 -0.010 0.000 2.372 551 L HA 0.607 4.949 4.340 0.005 0.000 0.273 551 L C -1.216 175.545 176.870 -0.183 0.000 0.989 551 L CA 0.233 55.133 54.840 0.101 0.000 0.841 551 L CB 1.173 43.352 42.059 0.200 0.000 1.225 551 L HN 0.153 nan 8.230 nan 0.000 0.414 552 T N 4.428 118.934 114.554 -0.080 0.000 2.791 552 T HA 0.865 5.218 4.350 0.005 0.000 0.288 552 T C -0.649 174.033 174.700 -0.031 0.000 0.999 552 T CA -0.038 61.989 62.100 -0.123 0.000 0.952 552 T CB 0.905 69.732 68.868 -0.069 0.000 0.938 552 T HN 0.900 nan 8.240 nan 0.000 0.444 553 A N 4.326 127.123 122.820 -0.038 0.000 2.594 553 A HA 0.908 5.231 4.320 0.005 0.000 0.291 553 A C -1.048 176.565 177.584 0.048 0.000 1.105 553 A CA -0.960 51.098 52.037 0.034 0.000 0.694 553 A CB 1.596 20.630 19.000 0.057 0.000 1.291 553 A HN 0.917 nan 8.150 nan 0.000 0.410 554 E N -0.219 120.028 120.200 0.078 0.000 2.449 554 E HA 0.794 5.146 4.350 0.005 0.000 0.278 554 E C -0.941 175.734 176.600 0.126 0.000 0.992 554 E CA -0.924 55.537 56.400 0.102 0.000 0.807 554 E CB 2.033 31.800 29.700 0.112 0.000 1.350 554 E HN 1.150 nan 8.360 nan 0.000 0.462 555 M N 0.673 120.363 119.600 0.151 0.000 2.389 555 M HA 0.537 5.020 4.480 0.005 0.000 0.287 555 M C -2.127 174.261 176.300 0.146 0.000 1.063 555 M CA -0.013 55.376 55.300 0.150 0.000 0.913 555 M CB 1.978 34.657 32.600 0.131 0.000 1.883 555 M HN 0.855 nan 8.290 nan 0.000 0.508 556 G N 3.811 112.711 108.800 0.166 0.000 2.704 556 G HA2 0.725 4.688 3.960 0.005 0.000 0.293 556 G HA3 0.725 4.688 3.960 0.005 0.000 0.293 556 G C -2.288 172.700 174.900 0.146 0.000 1.421 556 G CA -0.866 44.322 45.100 0.148 0.000 0.870 556 G HN 0.764 nan 8.290 nan 0.000 0.492 557 L N 0.450 121.729 121.223 0.094 0.000 2.334 557 L HA 0.773 5.115 4.340 0.005 0.000 0.273 557 L C -0.417 176.535 176.870 0.137 0.000 1.013 557 L CA -0.945 53.913 54.840 0.030 0.000 0.816 557 L CB 1.795 43.836 42.059 -0.030 0.000 1.278 557 L HN 0.661 nan 8.230 nan 0.000 0.431 558 F N 1.240 121.256 119.950 0.109 0.000 2.631 558 F HA 0.874 5.403 4.527 0.004 0.000 0.328 558 F C -1.376 174.505 175.800 0.135 0.000 1.067 558 F CA -1.420 56.657 58.000 0.129 0.000 0.969 558 F CB 1.533 40.595 39.000 0.103 0.000 1.332 558 F HN 0.279 nan 8.300 nan 0.000 0.490 559 L N 2.796 124.355 121.223 0.561 0.000 2.562 559 L HA 0.556 4.899 4.340 0.005 0.000 0.266 559 L C -1.828 175.314 176.870 0.453 0.000 0.949 559 L CA -0.439 54.661 54.840 0.435 0.000 0.879 559 L CB 1.806 44.027 42.059 0.271 0.000 1.278 559 L HN 0.725 nan 8.230 nan 0.000 0.404 560 I N 3.773 124.578 120.570 0.391 0.000 2.447 560 I HA 0.404 4.577 4.170 0.005 0.000 0.287 560 I C -0.687 175.553 176.117 0.204 0.000 1.023 560 I CA -0.674 60.748 61.300 0.203 0.000 1.083 560 I CB 1.892 39.928 38.000 0.061 0.000 1.245 560 I HN 0.479 nan 8.210 nan 0.000 0.434 561 N N 6.032 124.789 118.700 0.096 0.000 2.444 561 N HA 0.437 5.180 4.740 0.005 0.000 0.262 561 N C -1.284 174.207 175.510 -0.032 0.000 0.974 561 N CA -0.275 52.845 53.050 0.117 0.000 0.933 561 N CB 1.647 40.225 38.487 0.151 0.000 1.137 561 N HN 0.336 nan 8.380 nan 0.000 0.498 562 F N 2.484 122.514 119.950 0.134 0.000 2.404 562 F HA 0.222 4.752 4.527 0.004 0.000 0.354 562 F C 1.982 177.825 175.800 0.072 0.000 1.122 562 F CA -0.880 57.176 58.000 0.094 0.000 1.080 562 F CB 1.019 40.082 39.000 0.105 0.000 1.131 562 F HN 0.433 nan 8.300 nan 0.000 0.471 563 N N 2.372 121.210 118.700 0.230 0.000 2.142 563 N HA -0.130 4.613 4.740 0.005 0.000 0.186 563 N C 0.053 175.645 175.510 0.138 0.000 1.023 563 N CA 1.263 54.410 53.050 0.161 0.000 0.852 563 N CB 0.050 38.621 38.487 0.140 0.000 0.998 563 N HN 0.547 nan 8.380 nan 0.000 0.424 564 N N -1.025 117.776 118.700 0.169 0.000 3.106 564 N HA 0.237 4.980 4.740 0.005 0.000 0.253 564 N C -1.926 173.580 175.510 -0.007 0.000 1.506 564 N CA -0.357 52.693 53.050 -0.001 0.000 0.876 564 N CB 1.820 40.251 38.487 -0.092 0.000 1.452 564 N HN 0.135 nan 8.380 nan 0.000 0.542 565 Q N 0.928 120.575 119.800 -0.256 0.000 2.364 565 Q HA 0.303 4.645 4.340 0.005 0.000 0.257 565 Q C -1.718 174.139 176.000 -0.238 0.000 0.956 565 Q CA -0.476 55.236 55.803 -0.151 0.000 0.924 565 Q CB 1.926 30.510 28.738 -0.257 0.000 1.413 565 Q HN 0.487 nan 8.270 nan 0.000 0.418 566 Y N 0.167 120.434 120.300 -0.055 0.000 2.509 566 Y HA 0.447 5.000 4.550 0.005 0.000 0.341 566 Y C 0.393 176.274 175.900 -0.031 0.000 1.038 566 Y CA -0.802 57.279 58.100 -0.032 0.000 1.089 566 Y CB 1.222 39.670 38.460 -0.019 0.000 1.241 566 Y HN 0.524 nan 8.280 nan 0.000 0.468 567 D N -0.578 119.907 120.400 0.142 0.000 2.415 567 D HA 0.373 5.015 4.640 0.005 0.000 0.265 567 D C 0.635 176.990 176.300 0.092 0.000 1.206 567 D CA 0.450 54.508 54.000 0.095 0.000 1.113 567 D CB 0.766 41.624 40.800 0.097 0.000 1.192 567 D HN 0.526 nan 8.370 nan 0.000 0.586 568 S N -1.500 114.249 115.700 0.082 0.000 3.330 568 S HA 0.058 4.531 4.470 0.005 0.000 0.259 568 S C 0.325 174.961 174.600 0.059 0.000 1.095 568 S CA 0.186 58.423 58.200 0.062 0.000 0.841 568 S CB 0.147 63.371 63.200 0.039 0.000 0.890 568 S HN 0.579 nan 8.310 nan 0.000 0.446 569 N N 1.885 120.624 118.700 0.065 0.000 2.667 569 N HA -0.197 4.546 4.740 0.005 0.000 0.263 569 N C 0.481 176.005 175.510 0.024 0.000 1.038 569 N CA 0.348 53.423 53.050 0.042 0.000 0.749 569 N CB -0.154 38.362 38.487 0.049 0.000 0.892 569 N HN 0.376 nan 8.380 nan 0.000 0.546 570 Q N -0.552 119.261 119.800 0.022 0.000 2.308 570 Q HA -0.185 4.158 4.340 0.005 0.000 0.209 570 Q C 2.305 178.314 176.000 0.015 0.000 0.985 570 Q CA 2.149 57.965 55.803 0.022 0.000 0.881 570 Q CB -0.641 28.112 28.738 0.026 0.000 0.917 570 Q HN 0.858 nan 8.270 nan 0.000 0.443 571 T N 0.477 115.033 114.554 0.003 0.000 2.720 571 T HA -0.172 4.181 4.350 0.005 0.000 0.268 571 T C 1.338 176.037 174.700 -0.002 0.000 1.037 571 T CA 1.673 63.772 62.100 -0.003 0.000 1.144 571 T CB -0.198 68.656 68.868 -0.024 0.000 0.864 571 T HN 0.435 nan 8.240 nan 0.000 0.444 572 N N 0.391 119.091 118.700 0.001 0.000 2.227 572 N HA 0.066 4.808 4.740 0.005 0.000 0.196 572 N C 0.022 175.537 175.510 0.007 0.000 1.142 572 N CA 0.761 53.812 53.050 0.002 0.000 0.887 572 N CB -0.225 38.265 38.487 0.005 0.000 1.022 572 N HN 0.468 nan 8.380 nan 0.000 0.500 573 D N 0.135 120.543 120.400 0.014 0.000 2.778 573 D HA -0.137 4.506 4.640 0.005 0.000 0.246 573 D C -1.145 175.170 176.300 0.025 0.000 1.107 573 D CA 1.328 55.339 54.000 0.019 0.000 0.732 573 D CB -1.447 39.359 40.800 0.010 0.000 1.055 573 D HN 0.636 nan 8.370 nan 0.000 0.429 574 T N -3.010 111.564 114.554 0.034 0.000 2.912 574 T HA 0.592 4.945 4.350 0.005 0.000 0.299 574 T C 0.015 174.751 174.700 0.061 0.000 1.052 574 T CA -0.798 61.328 62.100 0.044 0.000 0.996 574 T CB 1.906 70.799 68.868 0.042 0.000 1.070 574 T HN 0.107 nan 8.240 nan 0.000 0.465 575 V N 3.042 123.001 119.914 0.075 0.000 2.153 575 V HA 0.228 4.350 4.120 0.005 0.000 0.250 575 V C 0.984 177.159 176.094 0.136 0.000 1.334 575 V CA -0.488 61.878 62.300 0.111 0.000 1.249 575 V CB -0.948 30.950 31.823 0.124 0.000 1.371 575 V HN 1.074 nan 8.190 nan 0.000 0.498 576 T N 4.739 119.357 114.554 0.107 0.000 2.793 576 T HA 0.364 4.716 4.350 0.005 0.000 0.289 576 T C 0.939 175.677 174.700 0.064 0.000 0.956 576 T CA 0.591 62.741 62.100 0.083 0.000 1.177 576 T CB 0.745 69.666 68.868 0.087 0.000 0.897 576 T HN 0.835 nan 8.240 nan 0.000 0.533 577 A N 3.912 126.735 122.820 0.005 0.000 2.645 577 A HA 0.617 4.940 4.320 0.005 0.000 0.245 577 A C 1.429 178.907 177.584 -0.178 0.000 1.758 577 A CA 0.056 51.992 52.037 -0.169 0.000 0.850 577 A CB 0.271 19.115 19.000 -0.259 0.000 1.656 577 A HN 0.868 nan 8.150 nan 0.000 0.641 578 R N -3.602 116.744 120.500 -0.256 0.000 2.258 578 R HA 0.259 4.602 4.340 0.005 0.000 0.188 578 R C 0.864 177.058 176.300 -0.175 0.000 0.793 578 R CA 1.217 57.207 56.100 -0.184 0.000 1.301 578 R CB -0.577 29.617 30.300 -0.176 0.000 1.582 578 R HN 2.118 nan 8.270 nan 0.000 0.448 579 G N 2.337 111.004 108.800 -0.223 0.000 2.578 579 G HA2 -0.386 3.577 3.960 0.005 0.000 0.275 579 G HA3 -0.386 3.577 3.960 0.005 0.000 0.275 579 G C -0.897 173.949 174.900 -0.090 0.000 1.271 579 G CA 0.385 45.392 45.100 -0.155 0.000 0.941 579 G HN 0.285 nan 8.290 nan 0.000 0.564 580 K N 0.715 121.098 120.400 -0.028 0.000 2.319 580 K HA 0.547 4.869 4.320 0.005 0.000 0.265 580 K C 0.566 177.182 176.600 0.026 0.000 1.000 580 K CA 0.792 57.102 56.287 0.039 0.000 0.943 580 K CB 0.792 33.321 32.500 0.047 0.000 0.950 580 K HN 1.022 nan 8.250 nan 0.000 0.485 581 T N -2.617 112.003 114.554 0.110 0.000 2.889 581 T HA 0.710 5.063 4.350 0.005 0.000 0.315 581 T C -1.057 173.748 174.700 0.175 0.000 1.291 581 T CA -1.170 60.962 62.100 0.054 0.000 1.028 581 T CB 1.586 70.440 68.868 -0.024 0.000 1.235 581 T HN 0.650 nan 8.240 nan 0.000 0.491 582 R N 1.331 121.842 120.500 0.019 0.000 2.502 582 R HA 0.636 4.979 4.340 0.005 0.000 0.300 582 R C -0.860 175.435 176.300 -0.008 0.000 0.984 582 R CA -0.910 55.256 56.100 0.109 0.000 0.882 582 R CB 0.451 30.785 30.300 0.055 0.000 1.180 582 R HN 0.939 nan 8.270 nan 0.000 0.444 583 H N 2.153 121.350 119.070 0.213 0.000 2.541 583 H HA 0.493 5.052 4.556 0.005 0.000 0.316 583 H C -0.326 175.230 175.328 0.380 0.000 1.043 583 H CA -0.223 55.983 56.048 0.263 0.000 1.232 583 H CB 1.971 31.907 29.762 0.291 0.000 1.406 583 H HN 0.820 nan 8.280 nan 0.000 0.469 584 T N 0.852 115.563 114.554 0.263 0.000 2.906 584 T HA 0.770 5.123 4.350 0.005 0.000 0.295 584 T C 0.355 174.734 174.700 -0.534 0.000 1.061 584 T CA -0.823 61.194 62.100 -0.138 0.000 1.000 584 T CB 2.793 71.597 68.868 -0.106 0.000 1.103 584 T HN 0.785 nan 8.240 nan 0.000 0.486 585 G N 0.291 108.340 108.800 -1.252 0.000 2.320 585 G HA2 0.485 4.448 3.960 0.005 0.000 0.296 585 G HA3 0.485 4.448 3.960 0.005 0.000 0.296 585 G C -2.378 172.108 174.900 -0.690 0.000 1.306 585 G CA -0.767 43.840 45.100 -0.822 0.000 0.836 585 G HN 1.080 nan 8.290 nan 0.000 0.517 586 L N -0.139 121.002 121.223 -0.137 0.000 2.408 586 L HA 0.828 5.171 4.340 0.005 0.000 0.268 586 L C -0.927 176.015 176.870 0.119 0.000 0.986 586 L CA -0.694 54.162 54.840 0.027 0.000 0.820 586 L CB 2.011 44.124 42.059 0.091 0.000 1.303 586 L HN 0.669 nan 8.230 nan 0.000 0.411 587 E N 3.105 123.410 120.200 0.175 0.000 2.199 587 E HA 0.498 4.851 4.350 0.005 0.000 0.265 587 E C -1.208 175.484 176.600 0.153 0.000 0.882 587 E CA -0.554 55.937 56.400 0.152 0.000 0.759 587 E CB 2.423 32.235 29.700 0.187 0.000 1.148 587 E HN 0.511 nan 8.360 nan 0.000 0.412 588 T N 2.258 116.902 114.554 0.151 0.000 2.868 588 T HA 0.456 4.809 4.350 0.005 0.000 0.306 588 T C -2.007 172.799 174.700 0.177 0.000 1.224 588 T CA -0.561 61.645 62.100 0.176 0.000 1.012 588 T CB 1.496 70.493 68.868 0.215 0.000 1.221 588 T HN 0.622 nan 8.240 nan 0.000 0.499 589 Q N 1.255 121.150 119.800 0.157 0.000 2.647 589 Q HA 0.757 5.099 4.340 0.005 0.000 0.283 589 Q C -1.976 174.106 176.000 0.137 0.000 0.943 589 Q CA -1.348 54.548 55.803 0.155 0.000 0.813 589 Q CB 1.350 30.165 28.738 0.128 0.000 1.477 589 Q HN 0.994 nan 8.270 nan 0.000 0.393 590 A N 0.955 123.866 122.820 0.152 0.000 2.612 590 A HA 0.869 5.192 4.320 0.005 0.000 0.293 590 A C -1.768 175.923 177.584 0.179 0.000 1.075 590 A CA -0.696 51.423 52.037 0.137 0.000 0.680 590 A CB 2.284 21.355 19.000 0.119 0.000 1.279 590 A HN 0.738 nan 8.150 nan 0.000 0.411 591 R N 0.077 120.677 120.500 0.166 0.000 2.771 591 R HA 0.710 5.053 4.340 0.005 0.000 0.274 591 R C -2.227 174.221 176.300 0.246 0.000 0.987 591 R CA -0.465 55.760 56.100 0.207 0.000 0.908 591 R CB 1.850 32.231 30.300 0.134 0.000 1.213 591 R HN 0.906 nan 8.270 nan 0.000 0.468 592 Y N 0.867 121.216 120.300 0.081 0.000 2.571 592 Y HA 0.238 4.791 4.550 0.005 0.000 0.341 592 Y C -1.439 174.495 175.900 0.057 0.000 1.076 592 Y CA -1.129 57.002 58.100 0.051 0.000 1.029 592 Y CB 2.096 40.588 38.460 0.052 0.000 1.308 592 Y HN 0.589 nan 8.280 nan 0.000 0.461 593 D N 5.329 125.338 120.400 -0.651 0.000 2.485 593 D HA 0.159 4.801 4.640 0.005 0.000 0.221 593 D C 0.341 176.359 176.300 -0.470 0.000 1.112 593 D CA 0.016 53.760 54.000 -0.427 0.000 0.911 593 D CB 0.557 41.133 40.800 -0.374 0.000 1.019 593 D HN 0.779 nan 8.370 nan 0.000 0.516 594 L N 2.668 123.831 121.223 -0.100 0.000 2.749 594 L HA 0.025 4.367 4.340 0.005 0.000 0.245 594 L C 2.038 178.911 176.870 0.005 0.000 1.156 594 L CA 0.346 55.222 54.840 0.059 0.000 0.890 594 L CB -0.034 42.101 42.059 0.127 0.000 1.036 594 L HN 0.396 nan 8.230 nan 0.000 0.441 595 G N -0.771 107.993 108.800 -0.060 0.000 2.662 595 G HA2 -0.136 3.827 3.960 0.005 0.000 0.212 595 G HA3 -0.136 3.827 3.960 0.005 0.000 0.212 595 G C 1.382 176.262 174.900 -0.032 0.000 1.141 595 G CA 0.683 45.766 45.100 -0.029 0.000 0.797 595 G HN 0.416 nan 8.290 nan 0.000 0.531 596 T N -0.572 113.934 114.554 -0.080 0.000 3.380 596 T HA 0.361 4.713 4.350 0.005 0.000 0.250 596 T C 1.569 176.286 174.700 0.027 0.000 1.082 596 T CA 0.090 62.163 62.100 -0.045 0.000 0.968 596 T CB -0.046 68.765 68.868 -0.094 0.000 1.027 596 T HN 0.179 nan 8.240 nan 0.000 0.575 597 L N -0.611 120.641 121.223 0.049 0.000 2.766 597 L HA 0.408 4.751 4.340 0.005 0.000 0.241 597 L C 0.816 177.714 176.870 0.047 0.000 1.080 597 L CA -0.040 54.847 54.840 0.079 0.000 0.909 597 L CB 0.908 43.041 42.059 0.123 0.000 1.277 597 L HN 0.348 nan 8.230 nan 0.000 0.510 598 T N -1.677 112.897 114.554 0.032 0.000 3.087 598 T HA 0.271 4.624 4.350 0.005 0.000 0.351 598 T C -2.491 172.217 174.700 0.013 0.000 1.520 598 T CA -0.776 61.336 62.100 0.020 0.000 1.111 598 T CB 1.773 70.651 68.868 0.017 0.000 1.353 598 T HN -0.326 nan 8.240 nan 0.000 0.481 599 P HA 0.078 nan 4.420 nan 0.000 0.216 599 P C 1.751 179.057 177.300 0.010 0.000 1.153 599 P CA 2.334 65.442 63.100 0.014 0.000 0.848 599 P CB -0.093 31.616 31.700 0.015 0.000 0.787 600 T N -0.462 114.091 114.554 -0.000 0.000 2.792 600 T HA -0.184 4.169 4.350 0.005 0.000 0.268 600 T C 1.301 175.976 174.700 -0.042 0.000 1.059 600 T CA 1.432 63.521 62.100 -0.018 0.000 1.136 600 T CB -1.253 nan 68.868 nan 0.000 0.846 600 T HN 0.077 nan 8.240 nan 0.000 0.489 601 L N 0.785 121.990 121.223 -0.030 0.000 2.872 601 L HA 0.279 4.622 4.340 0.005 0.000 0.245 601 L C 0.093 176.961 176.870 -0.003 0.000 1.211 601 L CA -0.657 54.154 54.840 -0.048 0.000 1.013 601 L CB 0.260 42.305 42.059 -0.025 0.000 1.326 601 L HN 0.152 nan 8.230 nan 0.000 0.525 602 D N 1.411 121.827 120.400 0.026 0.000 2.450 602 D HA -0.009 4.633 4.640 0.005 0.000 0.247 602 D C 0.448 176.829 176.300 0.135 0.000 1.162 602 D CA 0.783 54.819 54.000 0.060 0.000 0.879 602 D CB 0.183 41.019 40.800 0.059 0.000 1.163 602 D HN 0.218 nan 8.370 nan 0.000 0.472 603 N N 1.333 120.108 118.700 0.125 0.000 2.814 603 N HA -0.149 4.594 4.740 0.005 0.000 0.247 603 N C -1.475 174.225 175.510 0.317 0.000 1.089 603 N CA -0.081 53.083 53.050 0.189 0.000 0.682 603 N CB -0.495 38.112 38.487 0.200 0.000 0.970 603 N HN 0.089 nan 8.380 nan 0.000 0.554 604 V N 0.311 120.335 119.914 0.182 0.000 2.789 604 V HA 0.726 4.848 4.120 0.005 0.000 0.311 604 V C -0.329 175.837 176.094 0.120 0.000 1.073 604 V CA -0.438 61.957 62.300 0.158 0.000 0.921 604 V CB 2.114 33.944 31.823 0.012 0.000 1.009 604 V HN 0.144 nan 8.190 nan 0.000 0.426 605 S N 4.172 119.966 115.700 0.157 0.000 2.546 605 S HA 0.734 5.207 4.470 0.005 0.000 0.272 605 S C -1.064 173.662 174.600 0.210 0.000 1.140 605 S CA -0.573 57.722 58.200 0.158 0.000 0.920 605 S CB 1.213 64.504 63.200 0.152 0.000 1.083 605 S HN 0.719 nan 8.310 nan 0.000 0.476 606 I N 2.661 123.357 120.570 0.210 0.000 2.530 606 I HA 0.869 5.042 4.170 0.005 0.000 0.297 606 I C -1.163 175.091 176.117 0.228 0.000 1.011 606 I CA -1.045 60.349 61.300 0.157 0.000 1.107 606 I CB 1.550 39.616 38.000 0.111 0.000 1.285 606 I HN 0.710 nan 8.210 nan 0.000 0.436 607 Y N 3.457 123.831 120.300 0.123 0.000 2.581 607 Y HA 0.966 5.519 4.550 0.004 0.000 0.345 607 Y C -0.968 174.998 175.900 0.110 0.000 1.036 607 Y CA -1.222 56.945 58.100 0.111 0.000 1.042 607 Y CB 1.518 40.034 38.460 0.094 0.000 1.289 607 Y HN 0.967 nan 8.280 nan 0.000 0.471 608 A N 1.457 124.449 122.820 0.286 0.000 2.594 608 A HA 0.771 5.093 4.320 0.005 0.000 0.296 608 A C -1.248 176.482 177.584 0.244 0.000 1.061 608 A CA -0.197 51.974 52.037 0.223 0.000 0.689 608 A CB 1.106 20.190 19.000 0.141 0.000 1.280 608 A HN 1.583 nan 8.150 nan 0.000 0.406 609 S N 0.396 116.244 115.700 0.246 0.000 2.599 609 S HA 0.908 5.381 4.470 0.005 0.000 0.287 609 S C -1.037 173.744 174.600 0.302 0.000 1.105 609 S CA -0.659 57.672 58.200 0.218 0.000 0.899 609 S CB 1.790 65.073 63.200 0.140 0.000 1.100 609 S HN 1.996 nan 8.310 nan 0.000 0.482 610 Y N 0.020 120.401 120.300 0.134 0.000 2.624 610 Y HA 0.687 5.240 4.550 0.005 0.000 0.334 610 Y C -1.817 174.174 175.900 0.151 0.000 1.155 610 Y CA -0.324 57.880 58.100 0.174 0.000 1.046 610 Y CB 1.496 40.092 38.460 0.226 0.000 1.316 610 Y HN 1.368 nan 8.280 nan 0.000 0.457 611 A N 3.964 126.311 122.820 -0.788 0.000 2.480 611 A HA 0.520 4.843 4.320 0.005 0.000 0.289 611 A C -2.734 174.495 177.584 -0.592 0.000 1.044 611 A CA -0.486 51.237 52.037 -0.524 0.000 0.761 611 A CB 0.485 19.372 19.000 -0.188 0.000 1.289 611 A HN 0.816 nan 8.150 nan 0.000 0.401 612 Y N 2.899 122.915 120.300 -0.473 0.000 2.335 612 Y HA 0.626 5.179 4.550 0.005 0.000 0.339 612 Y C -0.974 174.847 175.900 -0.131 0.000 0.987 612 Y CA -0.688 57.260 58.100 -0.252 0.000 1.140 612 Y CB 1.489 39.920 38.460 -0.048 0.000 1.173 612 Y HN 0.546 nan 8.280 nan 0.000 0.486 613 V N 5.975 125.460 119.914 -0.715 0.000 2.531 613 V HA 0.309 4.432 4.120 0.005 0.000 0.301 613 V C -1.002 174.736 176.094 -0.594 0.000 1.034 613 V CA -1.071 60.971 62.300 -0.431 0.000 0.865 613 V CB 1.714 33.479 31.823 -0.097 0.000 0.995 613 V HN 0.773 nan 8.190 nan 0.000 0.424 614 N N 3.049 121.493 118.700 -0.425 0.000 2.558 614 N HA 0.658 5.400 4.740 0.005 0.000 0.242 614 N C -0.450 174.959 175.510 -0.169 0.000 0.979 614 N CA -0.092 52.771 53.050 -0.312 0.000 0.931 614 N CB 1.359 39.713 38.487 -0.223 0.000 1.122 614 N HN 0.973 nan 8.380 nan 0.000 0.508 615 A N 2.067 124.767 122.820 -0.200 0.000 2.271 615 A HA 0.769 5.092 4.320 0.005 0.000 0.317 615 A C -0.157 177.236 177.584 -0.318 0.000 1.245 615 A CA -0.345 51.495 52.037 -0.328 0.000 0.857 615 A CB 0.417 19.280 19.000 -0.228 0.000 1.175 615 A HN 0.690 nan 8.150 nan 0.000 0.512 616 E N 2.299 122.292 120.200 -0.346 0.000 2.393 616 E HA 0.629 4.982 4.350 0.005 0.000 0.273 616 E C -0.996 175.475 176.600 -0.214 0.000 0.918 616 E CA -0.814 55.442 56.400 -0.241 0.000 0.773 616 E CB 0.947 30.545 29.700 -0.170 0.000 1.275 616 E HN 0.620 nan 8.360 nan 0.000 0.451 617 I N 2.000 122.465 120.570 -0.175 0.000 2.441 617 I HA 0.352 4.525 4.170 0.005 0.000 0.287 617 I C 1.056 177.114 176.117 -0.098 0.000 1.049 617 I CA -0.309 60.909 61.300 -0.136 0.000 1.381 617 I CB 1.142 39.060 38.000 -0.137 0.000 1.409 617 I HN 0.704 nan 8.210 nan 0.000 0.523 618 R N 2.513 122.973 120.500 -0.067 0.000 2.394 618 R HA 0.128 4.471 4.340 0.005 0.000 0.220 618 R C 0.671 176.950 176.300 -0.035 0.000 0.887 618 R CA -0.262 55.812 56.100 -0.042 0.000 1.034 618 R CB 0.367 30.658 30.300 -0.016 0.000 1.179 618 R HN 0.587 nan 8.270 nan 0.000 0.561 619 E N 2.148 122.323 120.200 -0.042 0.000 3.194 619 E HA -0.075 4.278 4.350 0.005 0.000 0.343 619 E C 1.062 177.641 176.600 -0.036 0.000 1.500 619 E CA 0.556 56.933 56.400 -0.037 0.000 1.748 619 E CB 0.554 30.221 29.700 -0.054 0.000 0.994 619 E HN -0.170 nan 8.360 nan 0.000 0.644 620 K N -0.557 119.824 120.400 -0.032 0.000 1.981 620 K HA -0.093 4.230 4.320 0.005 0.000 0.227 620 K C 1.457 178.040 176.600 -0.029 0.000 1.030 620 K CA 1.507 57.779 56.287 -0.026 0.000 1.042 620 K CB -1.021 31.466 32.500 -0.021 0.000 0.749 620 K HN 0.551 nan 8.250 nan 0.000 0.445 621 G N 0.003 108.785 108.800 -0.030 0.000 2.928 621 G HA2 0.058 4.021 3.960 0.005 0.000 0.163 621 G HA3 0.058 4.021 3.960 0.005 0.000 0.163 621 G C 1.208 176.085 174.900 -0.037 0.000 1.573 621 G CA 0.936 46.019 45.100 -0.029 0.000 1.084 621 G HN 0.474 nan 8.290 nan 0.000 0.569 622 D N -0.989 119.391 120.400 -0.033 0.000 2.345 622 D HA -0.293 4.350 4.640 0.005 0.000 0.190 622 D C 2.408 178.676 176.300 -0.053 0.000 1.024 622 D CA 3.537 57.515 54.000 -0.037 0.000 0.893 622 D CB -1.493 39.289 40.800 -0.030 0.000 0.907 622 D HN 0.647 nan 8.370 nan 0.000 0.452 623 T N -4.543 109.972 114.554 -0.064 0.000 3.043 623 T HA 0.301 4.654 4.350 0.005 0.000 0.263 623 T C 1.700 176.341 174.700 -0.098 0.000 1.094 623 T CA 0.856 62.903 62.100 -0.089 0.000 1.127 623 T CB -1.287 67.521 68.868 -0.099 0.000 0.905 623 T HN 1.268 nan 8.240 nan 0.000 0.490 624 Y N 1.005 121.257 120.300 -0.079 0.000 3.032 624 Y HA 0.321 4.873 4.550 0.005 0.000 0.344 624 Y C 1.829 177.676 175.900 -0.088 0.000 1.273 624 Y CA -0.482 57.572 58.100 -0.077 0.000 1.588 624 Y CB -1.283 37.143 38.460 -0.056 0.000 1.209 624 Y HN 1.129 nan 8.280 nan 0.000 0.597 625 G N 1.450 110.192 108.800 -0.096 0.000 2.157 625 G HA2 -0.212 3.751 3.960 0.005 0.000 0.248 625 G HA3 -0.212 3.751 3.960 0.005 0.000 0.248 625 G C -0.113 174.703 174.900 -0.139 0.000 0.979 625 G CA 0.184 45.223 45.100 -0.102 0.000 0.650 625 G HN 1.027 nan 8.290 nan 0.000 0.529 626 N N 0.196 118.793 118.700 -0.171 0.000 2.487 626 N HA 0.545 5.288 4.740 0.005 0.000 0.292 626 N C 0.699 176.052 175.510 -0.261 0.000 1.108 626 N CA -0.461 52.444 53.050 -0.243 0.000 0.956 626 N CB 1.144 39.471 38.487 -0.267 0.000 1.176 626 N HN 0.258 nan 8.380 nan 0.000 0.484 627 L N 1.427 122.455 121.223 -0.325 0.000 2.453 627 L HA 0.112 4.455 4.340 0.005 0.000 0.272 627 L C 0.404 177.115 176.870 -0.265 0.000 1.182 627 L CA -0.500 54.172 54.840 -0.279 0.000 0.858 627 L CB 0.210 42.107 42.059 -0.269 0.000 1.120 627 L HN 0.120 nan 8.230 nan 0.000 0.474 628 V N 3.704 123.492 119.914 -0.211 0.000 2.963 628 V HA 0.072 4.194 4.120 0.005 0.000 0.306 628 V C -1.921 174.095 176.094 -0.129 0.000 1.077 628 V CA -1.280 60.920 62.300 -0.167 0.000 1.124 628 V CB 0.152 31.895 31.823 -0.134 0.000 0.987 628 V HN 0.664 nan 8.190 nan 0.000 0.487 629 P HA 0.225 nan 4.420 nan 0.000 0.268 629 P C -0.462 176.824 177.300 -0.024 0.000 1.205 629 P CA -0.034 62.935 63.100 -0.219 0.000 0.771 629 P CB -0.063 31.491 31.700 -0.244 0.000 0.858 630 F N 0.043 119.995 119.950 0.003 0.000 2.905 630 F HA -0.186 4.344 4.527 0.005 0.000 0.291 630 F C 0.430 176.203 175.800 -0.045 0.000 1.002 630 F CA 0.822 58.812 58.000 -0.016 0.000 0.978 630 F CB -2.557 36.425 39.000 -0.030 0.000 1.036 630 F HN 0.257 nan 8.300 nan 0.000 0.820 631 S N 0.316 116.053 115.700 0.061 0.000 2.216 631 S HA 0.565 5.038 4.470 0.005 0.000 0.156 631 S C -2.382 172.191 174.600 -0.046 0.000 1.665 631 S CA -1.267 56.931 58.200 -0.003 0.000 1.262 631 S CB 0.638 63.822 63.200 -0.027 0.000 1.207 631 S HN -0.025 nan 8.310 nan 0.000 0.427 632 P HA 0.140 nan 4.420 nan 0.000 0.265 632 P C 0.360 177.571 177.300 -0.150 0.000 1.187 632 P CA -0.008 63.048 63.100 -0.074 0.000 0.766 632 P CB 0.514 32.163 31.700 -0.084 0.000 0.820 633 K N 1.038 121.309 120.400 -0.215 0.000 2.167 633 K HA -0.030 4.293 4.320 0.005 0.000 0.203 633 K C 0.413 176.675 176.600 -0.563 0.000 1.052 633 K CA 0.944 56.936 56.287 -0.492 0.000 0.956 633 K CB -0.028 32.133 32.500 -0.565 0.000 0.735 633 K HN 0.609 nan 8.250 nan 0.000 0.451 634 H N 0.559 119.650 119.070 0.036 0.000 2.589 634 H HA 0.353 4.912 4.556 0.005 0.000 0.335 634 H C -1.012 174.348 175.328 0.052 0.000 1.019 634 H CA -0.493 55.636 56.048 0.135 0.000 1.213 634 H CB 1.566 31.510 29.762 0.303 0.000 1.472 634 H HN -0.090 nan 8.280 nan 0.000 0.508 635 K N 2.337 122.768 120.400 0.051 0.000 2.588 635 K HA 0.523 4.845 4.320 0.005 0.000 0.250 635 K C -1.140 175.272 176.600 -0.313 0.000 0.972 635 K CA -0.534 55.647 56.287 -0.177 0.000 0.821 635 K CB 1.904 34.283 32.500 -0.202 0.000 1.249 635 K HN 0.868 nan 8.250 nan 0.000 0.442 636 G N 0.970 109.241 108.800 -0.882 0.000 2.606 636 G HA2 0.625 4.588 3.960 0.005 0.000 0.300 636 G HA3 0.625 4.588 3.960 0.005 0.000 0.300 636 G C -1.268 172.958 174.900 -1.124 0.000 1.360 636 G CA -0.564 44.119 45.100 -0.695 0.000 0.783 636 G HN 0.566 nan 8.290 nan 0.000 0.484 637 T N -2.294 112.103 114.554 -0.262 0.000 2.841 637 T HA 0.793 5.146 4.350 0.005 0.000 0.296 637 T C -1.092 173.726 174.700 0.197 0.000 1.166 637 T CA -0.645 61.433 62.100 -0.036 0.000 1.007 637 T CB 1.769 70.630 68.868 -0.011 0.000 1.253 637 T HN 1.852 nan 8.240 nan 0.000 0.511 638 L N -2.233 119.039 121.223 0.081 0.000 2.592 638 L HA 0.983 5.326 4.340 0.005 0.000 0.258 638 L C -0.464 176.214 176.870 -0.320 0.000 0.926 638 L CA -0.383 54.413 54.840 -0.073 0.000 0.885 638 L CB 1.582 43.657 42.059 0.026 0.000 1.380 638 L HN 1.312 nan 8.230 nan 0.000 0.415 639 G N 0.301 108.634 108.800 -0.780 0.000 2.548 639 G HA2 0.673 4.636 3.960 0.005 0.000 0.301 639 G HA3 0.673 4.636 3.960 0.005 0.000 0.301 639 G C -2.027 172.424 174.900 -0.748 0.000 1.349 639 G CA -0.181 44.481 45.100 -0.730 0.000 0.792 639 G HN 1.622 nan 8.290 nan 0.000 0.481 640 V N -0.967 118.837 119.914 -0.183 0.000 2.971 640 V HA 0.828 4.951 4.120 0.005 0.000 0.309 640 V C -1.958 174.303 176.094 0.278 0.000 1.130 640 V CA -0.899 61.448 62.300 0.077 0.000 0.964 640 V CB 2.401 34.274 31.823 0.083 0.000 1.029 640 V HN 0.711 nan 8.190 nan 0.000 0.427 641 D N 4.578 125.168 120.400 0.317 0.000 2.593 641 D HA 0.336 4.978 4.640 0.005 0.000 0.251 641 D C -1.850 174.650 176.300 0.333 0.000 1.140 641 D CA 0.054 54.245 54.000 0.318 0.000 0.855 641 D CB 2.151 43.116 40.800 0.274 0.000 1.267 641 D HN 0.662 nan 8.370 nan 0.000 0.532 642 Y N 1.374 121.802 120.300 0.213 0.000 2.364 642 Y HA 0.345 4.898 4.550 0.004 0.000 0.340 642 Y C -0.612 175.423 175.900 0.225 0.000 0.975 642 Y CA -0.939 57.291 58.100 0.217 0.000 1.089 642 Y CB 1.330 39.942 38.460 0.252 0.000 1.192 642 Y HN 0.122 nan 8.280 nan 0.000 0.454 643 K N 8.098 128.531 120.400 0.055 0.000 2.877 643 K HA 0.269 4.591 4.320 0.005 0.000 0.176 643 K C -2.855 173.622 176.600 -0.206 0.000 1.075 643 K CA -1.763 54.441 56.287 -0.137 0.000 0.939 643 K CB 0.851 33.332 32.500 -0.032 0.000 1.237 643 K HN 0.416 nan 8.250 nan 0.000 0.607 644 P HA 0.054 nan 4.420 nan 0.000 0.280 644 P C 0.644 177.960 177.300 0.027 0.000 1.300 644 P CA 0.699 63.686 63.100 -0.188 0.000 0.785 644 P CB 1.191 32.700 31.700 -0.319 0.000 0.874 645 G N 5.889 114.714 108.800 0.043 0.000 2.596 645 G HA2 -0.343 3.620 3.960 0.005 0.000 0.295 645 G HA3 -0.343 3.620 3.960 0.005 0.000 0.295 645 G C 0.881 175.741 174.900 -0.068 0.000 1.240 645 G CA 0.078 45.210 45.100 0.054 0.000 0.985 645 G HN 0.549 nan 8.290 nan 0.000 0.555 646 N N 0.555 119.132 118.700 -0.205 0.000 2.461 646 N HA 0.049 4.791 4.740 0.005 0.000 0.188 646 N C 0.355 175.364 175.510 -0.835 0.000 1.134 646 N CA 0.663 53.346 53.050 -0.613 0.000 0.878 646 N CB 0.033 37.928 38.487 -0.988 0.000 0.972 646 N HN 0.437 nan 8.380 nan 0.000 0.456 647 W N 1.175 122.140 121.300 -0.558 0.000 2.215 647 W HA 0.263 4.926 4.660 0.004 0.000 0.342 647 W C 0.344 176.491 176.519 -0.620 0.000 1.237 647 W CA -0.021 56.985 57.345 -0.564 0.000 1.283 647 W CB 0.716 29.895 29.460 -0.467 0.000 1.131 647 W HN -0.312 nan 8.180 nan 0.000 0.606 648 T N 2.667 116.932 114.554 -0.482 0.000 3.031 648 T HA 0.403 4.756 4.350 0.005 0.000 0.305 648 T C -1.493 172.959 174.700 -0.413 0.000 0.985 648 T CA -0.667 61.222 62.100 -0.351 0.000 1.008 648 T CB 0.221 68.976 68.868 -0.189 0.000 1.005 648 T HN -0.023 nan 8.240 nan 0.000 0.444 649 F N 2.498 122.525 119.950 0.129 0.000 2.427 649 F HA 0.482 5.012 4.527 0.004 0.000 0.348 649 F C 0.525 176.442 175.800 0.195 0.000 1.125 649 F CA -1.029 57.078 58.000 0.178 0.000 0.989 649 F CB 1.115 40.243 39.000 0.213 0.000 1.165 649 F HN 0.411 nan 8.300 nan 0.000 0.442 650 N N 3.418 122.320 118.700 0.336 0.000 2.392 650 N HA 0.628 5.370 4.740 0.005 0.000 0.283 650 N C -1.694 173.982 175.510 0.278 0.000 1.003 650 N CA -0.663 52.563 53.050 0.293 0.000 0.892 650 N CB 2.064 40.700 38.487 0.250 0.000 1.193 650 N HN 0.381 nan 8.380 nan 0.000 0.487 651 L N 3.117 124.500 121.223 0.268 0.000 2.386 651 L HA 0.621 4.963 4.340 0.005 0.000 0.271 651 L C -1.294 175.711 176.870 0.224 0.000 0.993 651 L CA -0.440 54.550 54.840 0.250 0.000 0.819 651 L CB 1.251 43.448 42.059 0.230 0.000 1.294 651 L HN 0.744 nan 8.230 nan 0.000 0.414 652 N N 2.259 121.093 118.700 0.223 0.000 2.710 652 N HA 0.470 5.213 4.740 0.005 0.000 0.257 652 N C -1.927 173.508 175.510 -0.125 0.000 1.327 652 N CA -0.581 52.515 53.050 0.075 0.000 0.861 652 N CB 1.931 40.521 38.487 0.172 0.000 1.532 652 N HN 0.443 nan 8.380 nan 0.000 0.499 653 S N -0.227 115.242 115.700 -0.385 0.000 2.549 653 S HA 0.488 4.961 4.470 0.005 0.000 0.280 653 S C -1.881 172.552 174.600 -0.278 0.000 1.109 653 S CA -0.632 57.145 58.200 -0.705 0.000 0.905 653 S CB 1.138 63.272 63.200 -1.776 0.000 1.081 653 S HN 0.539 nan 8.310 nan 0.000 0.477 654 D N 2.221 122.504 120.400 -0.195 0.000 2.350 654 D HA 0.718 5.361 4.640 0.005 0.000 0.238 654 D C -0.994 175.312 176.300 0.010 0.000 0.989 654 D CA -0.112 53.818 54.000 -0.118 0.000 0.921 654 D CB 1.786 42.554 40.800 -0.054 0.000 1.297 654 D HN 0.482 nan 8.370 nan 0.000 0.490 655 F N -0.965 118.912 119.950 -0.121 0.000 2.690 655 F HA 0.362 4.891 4.527 0.004 0.000 0.311 655 F C -1.770 173.859 175.800 -0.285 0.000 1.111 655 F CA -1.023 56.862 58.000 -0.192 0.000 1.003 655 F CB 1.019 39.944 39.000 -0.125 0.000 1.283 655 F HN 0.286 nan 8.300 nan 0.000 0.442 656 Q N 1.509 121.132 119.800 -0.295 0.000 2.472 656 Q HA 0.611 4.954 4.340 0.005 0.000 0.281 656 Q C -1.076 174.782 176.000 -0.237 0.000 0.997 656 Q CA -0.738 54.886 55.803 -0.298 0.000 0.828 656 Q CB 2.059 30.473 28.738 -0.540 0.000 1.443 656 Q HN 1.068 nan 8.270 nan 0.000 0.390 657 S N 1.402 117.082 115.700 -0.033 0.000 2.502 657 S HA 0.425 4.898 4.470 0.005 0.000 0.251 657 S C 0.388 174.947 174.600 -0.068 0.000 1.254 657 S CA 0.262 58.478 58.200 0.026 0.000 0.989 657 S CB 0.238 63.559 63.200 0.201 0.000 1.015 657 S HN 0.958 nan 8.310 nan 0.000 0.529 658 S N -0.167 115.522 115.700 -0.018 0.000 2.690 658 S HA 0.668 5.141 4.470 0.005 0.000 0.291 658 S C -0.714 173.857 174.600 -0.048 0.000 1.138 658 S CA -0.821 57.342 58.200 -0.061 0.000 1.013 658 S CB 0.936 64.092 63.200 -0.073 0.000 1.053 658 S HN 1.007 nan 8.310 nan 0.000 0.539 659 Q N -0.158 119.581 119.800 -0.102 0.000 2.482 659 Q HA 0.608 4.951 4.340 0.005 0.000 0.286 659 Q C -1.881 173.992 176.000 -0.211 0.000 1.007 659 Q CA -0.899 54.873 55.803 -0.053 0.000 0.801 659 Q CB 0.750 29.483 28.738 -0.010 0.000 1.455 659 Q HN 0.555 nan 8.270 nan 0.000 0.398 660 F N 0.095 119.892 119.950 -0.255 0.000 2.432 660 F HA 0.660 5.190 4.527 0.006 0.000 0.329 660 F C 0.907 176.310 175.800 -0.662 0.000 1.076 660 F CA -0.163 57.638 58.000 -0.333 0.000 1.018 660 F CB 1.784 40.623 39.000 -0.269 0.000 1.201 660 F HN 0.899 nan 8.300 nan 0.000 0.489 661 A N 0.078 122.632 122.820 -0.444 0.000 2.014 661 A HA 0.125 4.448 4.320 0.005 0.000 0.210 661 A C 0.133 177.297 177.584 -0.700 0.000 1.188 661 A CA 0.511 52.071 52.037 -0.795 0.000 0.731 661 A CB -0.438 18.400 19.000 -0.269 0.000 0.858 661 A HN 0.685 nan 8.150 nan 0.000 0.464 662 D N -1.864 118.202 120.400 -0.556 0.000 2.340 662 D HA 0.189 4.832 4.640 0.005 0.000 0.243 662 D C -0.271 175.823 176.300 -0.343 0.000 0.988 662 D CA -0.892 52.720 54.000 -0.648 0.000 0.959 662 D CB 0.362 40.736 40.800 -0.709 0.000 1.226 662 D HN -0.093 nan 8.370 nan 0.000 0.509 663 N N -0.100 118.434 118.700 -0.277 0.000 2.520 663 N HA -0.043 4.700 4.740 0.005 0.000 0.185 663 N C 1.401 176.802 175.510 -0.181 0.000 1.068 663 N CA 0.750 53.680 53.050 -0.199 0.000 0.911 663 N CB -0.082 38.319 38.487 -0.143 0.000 0.961 663 N HN 0.612 nan 8.380 nan 0.000 0.446 664 A N 0.864 123.588 122.820 -0.161 0.000 1.897 664 A HA -0.051 4.272 4.320 0.005 0.000 0.215 664 A C 1.000 178.504 177.584 -0.133 0.000 1.181 664 A CA 0.822 52.793 52.037 -0.110 0.000 0.620 664 A CB -0.002 18.964 19.000 -0.057 0.000 0.821 664 A HN 0.307 nan 8.150 nan 0.000 0.443 665 N N -1.441 117.179 118.700 -0.132 0.000 2.994 665 N HA -0.118 4.624 4.740 0.005 0.000 0.246 665 N C -0.441 175.227 175.510 0.263 0.000 1.061 665 N CA 1.012 53.963 53.050 -0.165 0.000 0.845 665 N CB -2.041 36.106 38.487 -0.567 0.000 1.119 665 N HN 0.413 nan 8.380 nan 0.000 0.551 666 T N 0.276 114.930 114.554 0.167 0.000 2.891 666 T HA 0.076 4.429 4.350 0.005 0.000 0.296 666 T C 1.725 176.532 174.700 0.178 0.000 1.025 666 T CA 0.424 62.608 62.100 0.140 0.000 1.149 666 T CB 1.095 70.011 68.868 0.079 0.000 1.007 666 T HN 0.043 nan 8.240 nan 0.000 0.528 667 V N 1.541 121.529 119.914 0.123 0.000 3.644 667 V HA 0.225 4.348 4.120 0.005 0.000 0.267 667 V C 1.318 177.410 176.094 -0.002 0.000 1.277 667 V CA 0.717 63.037 62.300 0.032 0.000 1.096 667 V CB -0.683 31.178 31.823 0.063 0.000 0.828 667 V HN 0.916 nan 8.190 nan 0.000 0.446 668 K N 0.865 121.280 120.400 0.026 0.000 2.235 668 K HA 0.473 4.796 4.320 0.005 0.000 0.266 668 K C -0.050 176.567 176.600 0.029 0.000 0.980 668 K CA -0.670 55.631 56.287 0.024 0.000 0.849 668 K CB 0.567 33.085 32.500 0.030 0.000 1.098 668 K HN 0.418 nan 8.250 nan 0.000 0.445 669 E N 1.307 121.523 120.200 0.026 0.000 2.608 669 E HA -0.074 4.279 4.350 0.005 0.000 0.259 669 E C 1.040 177.656 176.600 0.026 0.000 0.951 669 E CA 0.672 57.086 56.400 0.023 0.000 0.945 669 E CB 0.543 30.248 29.700 0.008 0.000 0.916 669 E HN 0.773 nan 8.360 nan 0.000 0.477 670 S N 3.609 119.331 115.700 0.036 0.000 2.489 670 S HA 0.032 4.504 4.470 0.005 0.000 0.228 670 S C 1.261 175.873 174.600 0.022 0.000 0.995 670 S CA 0.450 58.675 58.200 0.041 0.000 0.934 670 S CB 0.213 63.454 63.200 0.067 0.000 0.771 670 S HN 0.866 nan 8.310 nan 0.000 0.522 671 A N 1.271 124.095 122.820 0.006 0.000 3.608 671 A HA -0.205 4.117 4.320 0.005 0.000 0.223 671 A C 1.221 178.799 177.584 -0.009 0.000 0.836 671 A CA 1.151 53.187 52.037 -0.001 0.000 1.868 671 A CB -2.237 16.767 19.000 0.005 0.000 0.811 671 A HN 0.723 nan 8.150 nan 0.000 0.690 672 D N -1.487 118.909 120.400 -0.007 0.000 2.327 672 D HA 0.410 5.053 4.640 0.005 0.000 0.205 672 D C 1.665 177.947 176.300 -0.030 0.000 0.989 672 D CA 1.618 55.608 54.000 -0.016 0.000 0.873 672 D CB -0.266 40.527 40.800 -0.011 0.000 0.955 672 D HN 1.987 nan 8.370 nan 0.000 0.515 673 G N -0.086 108.698 108.800 -0.027 0.000 2.179 673 G HA2 -0.334 3.629 3.960 0.005 0.000 0.220 673 G HA3 -0.334 3.629 3.960 0.005 0.000 0.220 673 G C 1.228 176.130 174.900 0.003 0.000 0.990 673 G CA 0.892 45.954 45.100 -0.062 0.000 0.646 673 G HN 0.634 nan 8.290 nan 0.000 0.517 674 S N -0.024 115.713 115.700 0.061 0.000 2.329 674 S HA 0.141 4.613 4.470 0.005 0.000 0.215 674 S C 1.259 176.026 174.600 0.278 0.000 1.031 674 S CA 1.839 60.135 58.200 0.159 0.000 0.985 674 S CB -0.517 62.723 63.200 0.067 0.000 0.917 674 S HN 0.842 nan 8.310 nan 0.000 0.441 675 T N 1.961 116.678 114.554 0.270 0.000 2.919 675 T HA 0.595 4.948 4.350 0.005 0.000 0.302 675 T C 0.224 174.992 174.700 0.114 0.000 1.031 675 T CA 0.299 62.551 62.100 0.255 0.000 1.127 675 T CB 0.706 69.717 68.868 0.238 0.000 0.952 675 T HN 1.089 nan 8.240 nan 0.000 0.540 676 G N 1.428 110.257 108.800 0.049 0.000 2.312 676 G HA2 0.219 4.181 3.960 0.005 0.000 0.322 676 G HA3 0.219 4.181 3.960 0.005 0.000 0.322 676 G C -0.731 174.118 174.900 -0.085 0.000 1.645 676 G CA -1.255 43.848 45.100 0.005 0.000 0.919 676 G HN 0.824 nan 8.290 nan 0.000 0.699 677 R N 0.504 120.880 120.500 -0.207 0.000 2.758 677 R HA 0.425 4.768 4.340 0.005 0.000 0.263 677 R C -0.093 176.113 176.300 -0.157 0.000 1.010 677 R CA 0.273 56.120 56.100 -0.423 0.000 1.114 677 R CB 0.194 30.221 30.300 -0.455 0.000 0.985 677 R HN 0.460 nan 8.270 nan 0.000 0.439 678 I N 4.916 125.367 120.570 -0.200 0.000 2.466 678 I HA 0.326 4.499 4.170 0.005 0.000 0.289 678 I C -2.114 173.913 176.117 -0.149 0.000 1.026 678 I CA -2.913 58.333 61.300 -0.090 0.000 1.078 678 I CB 2.148 40.148 38.000 0.000 0.000 1.249 678 I HN 0.566 nan 8.210 nan 0.000 0.429 679 P HA -0.004 nan 4.420 nan 0.000 0.269 679 P C 0.100 177.367 177.300 -0.055 0.000 1.205 679 P CA 0.106 63.131 63.100 -0.125 0.000 0.780 679 P CB 0.551 32.139 31.700 -0.187 0.000 0.858 680 G N 0.192 108.969 108.800 -0.038 0.000 2.671 680 G HA2 0.799 4.762 3.960 0.005 0.000 0.275 680 G HA3 0.799 4.762 3.960 0.005 0.000 0.275 680 G C -1.181 173.690 174.900 -0.048 0.000 1.368 680 G CA -0.594 44.410 45.100 -0.160 0.000 1.044 680 G HN 0.549 nan 8.290 nan 0.000 0.543 681 F N -3.511 116.415 119.950 -0.041 0.000 2.952 681 F HA 0.620 5.150 4.527 0.004 0.000 0.329 681 F C -1.167 174.620 175.800 -0.022 0.000 1.137 681 F CA -1.600 56.360 58.000 -0.066 0.000 0.889 681 F CB 1.571 40.447 39.000 -0.206 0.000 1.335 681 F HN 0.685 nan 8.300 nan 0.000 0.449 682 M N 3.108 122.892 119.600 0.305 0.000 2.324 682 M HA 0.773 5.256 4.480 0.005 0.000 0.288 682 M C -2.463 173.954 176.300 0.195 0.000 1.097 682 M CA -0.435 54.998 55.300 0.222 0.000 0.928 682 M CB 2.130 34.830 32.600 0.166 0.000 1.648 682 M HN 0.741 nan 8.290 nan 0.000 0.460 683 L N 3.478 124.733 121.223 0.053 0.000 2.341 683 L HA 0.687 5.030 4.340 0.005 0.000 0.267 683 L C -1.733 175.034 176.870 -0.171 0.000 1.009 683 L CA -0.550 54.312 54.840 0.036 0.000 0.819 683 L CB 2.261 44.315 42.059 -0.007 0.000 1.323 683 L HN 0.743 nan 8.230 nan 0.000 0.425 684 W N 0.425 121.756 121.300 0.052 0.000 2.702 684 W HA 0.711 5.374 4.660 0.005 0.000 0.331 684 W C 0.161 176.626 176.519 -0.089 0.000 1.049 684 W CA -0.412 56.904 57.345 -0.048 0.000 1.230 684 W CB 2.271 31.598 29.460 -0.221 0.000 1.408 684 W HN 0.447 nan 8.180 nan 0.000 0.492 685 G N 0.630 109.535 108.800 0.174 0.000 2.612 685 G HA2 0.864 4.827 3.960 0.005 0.000 0.298 685 G HA3 0.864 4.827 3.960 0.005 0.000 0.298 685 G C -1.741 173.267 174.900 0.180 0.000 1.336 685 G CA -0.660 44.528 45.100 0.147 0.000 0.953 685 G HN 0.713 nan 8.290 nan 0.000 0.482 686 A N 0.866 123.777 122.820 0.152 0.000 2.564 686 A HA 1.012 5.335 4.320 0.005 0.000 0.288 686 A C -0.517 177.165 177.584 0.165 0.000 1.164 686 A CA -0.802 51.337 52.037 0.169 0.000 0.712 686 A CB 2.243 21.323 19.000 0.133 0.000 1.303 686 A HN 1.056 nan 8.150 nan 0.000 0.418 687 R N -0.901 119.718 120.500 0.199 0.000 2.739 687 R HA 0.506 4.848 4.340 0.005 0.000 0.266 687 R C -2.675 173.767 176.300 0.236 0.000 1.044 687 R CA -0.366 55.847 56.100 0.189 0.000 0.885 687 R CB 1.706 32.152 30.300 0.243 0.000 1.260 687 R HN 1.214 nan 8.270 nan 0.000 0.477 688 V N 2.727 122.775 119.914 0.224 0.000 2.525 688 V HA 0.890 5.013 4.120 0.005 0.000 0.299 688 V C -1.351 174.826 176.094 0.139 0.000 1.034 688 V CA 0.008 62.439 62.300 0.219 0.000 0.863 688 V CB 1.367 33.422 31.823 0.387 0.000 0.999 688 V HN 0.913 nan 8.190 nan 0.000 0.423 689 A N 5.813 128.622 122.820 -0.019 0.000 2.413 689 A HA 0.899 5.222 4.320 0.005 0.000 0.307 689 A C -1.958 175.481 177.584 -0.242 0.000 1.087 689 A CA -0.628 51.366 52.037 -0.071 0.000 0.750 689 A CB 1.834 20.791 19.000 -0.071 0.000 1.296 689 A HN 1.198 nan 8.150 nan 0.000 0.423 690 Y N 0.365 120.375 120.300 -0.482 0.000 2.477 690 Y HA 0.513 5.066 4.550 0.005 0.000 0.347 690 Y C -0.877 174.592 175.900 -0.719 0.000 0.981 690 Y CA -0.545 57.069 58.100 -0.809 0.000 1.033 690 Y CB 2.154 39.837 38.460 -1.296 0.000 1.245 690 Y HN 0.678 nan 8.280 nan 0.000 0.455 691 D N 5.066 124.837 120.400 -1.050 0.000 2.540 691 D HA 0.184 4.826 4.640 0.005 0.000 0.251 691 D C -0.979 175.116 176.300 -0.341 0.000 1.159 691 D CA -0.282 53.389 54.000 -0.549 0.000 0.974 691 D CB -0.653 39.888 40.800 -0.431 0.000 0.996 691 D HN 0.371 nan 8.370 nan 0.000 0.512 692 F N 2.498 122.507 119.950 0.099 0.000 2.355 692 F HA 0.111 4.641 4.527 0.005 0.000 0.365 692 F C 1.864 177.705 175.800 0.068 0.000 1.075 692 F CA 0.759 58.859 58.000 0.166 0.000 0.959 692 F CB -0.224 38.833 39.000 0.093 0.000 0.913 692 F HN 0.497 nan 8.300 nan 0.000 0.539 693 G N 4.775 113.712 108.800 0.228 0.000 2.345 693 G HA2 -0.222 3.740 3.960 0.005 0.000 0.205 693 G HA3 -0.222 3.740 3.960 0.005 0.000 0.205 693 G C -1.673 173.265 174.900 0.062 0.000 0.534 693 G CA -1.020 44.153 45.100 0.123 0.000 0.968 693 G HN 0.546 nan 8.290 nan 0.000 0.330 694 P HA -0.072 nan 4.420 nan 0.000 0.223 694 P C 1.681 178.991 177.300 0.017 0.000 1.140 694 P CA 2.616 65.705 63.100 -0.019 0.000 0.783 694 P CB 0.135 31.808 31.700 -0.045 0.000 0.759 695 Q N -1.066 118.756 119.800 0.036 0.000 3.060 695 Q HA 0.525 4.867 4.340 0.005 0.000 0.211 695 Q C 1.062 177.102 176.000 0.068 0.000 1.164 695 Q CA 0.428 56.258 55.803 0.045 0.000 0.373 695 Q CB -0.852 27.909 28.738 0.037 0.000 5.666 695 Q HN 0.061 nan 8.270 nan 0.000 0.318 696 M N -1.782 117.857 119.600 0.065 0.000 7.319 696 M HA -0.266 4.217 4.480 0.005 0.000 0.104 696 M C 0.637 177.003 176.300 0.109 0.000 0.480 696 M CA 1.593 56.939 55.300 0.077 0.000 1.311 696 M CB -1.343 31.315 32.600 0.096 0.000 0.421 696 M HN 1.354 nan 8.290 nan 0.000 0.263 697 A N 0.822 123.739 122.820 0.161 0.000 2.416 697 A HA 0.331 4.654 4.320 0.005 0.000 0.252 697 A C 0.121 177.801 177.584 0.161 0.000 1.353 697 A CA 1.002 53.184 52.037 0.241 0.000 0.996 697 A CB -1.191 18.039 19.000 0.383 0.000 0.961 697 A HN 0.865 nan 8.150 nan 0.000 0.523 698 D N -0.991 119.476 120.400 0.110 0.000 2.845 698 D HA -0.182 4.461 4.640 0.005 0.000 0.229 698 D C 0.161 176.494 176.300 0.055 0.000 1.170 698 D CA 0.690 54.724 54.000 0.057 0.000 0.717 698 D CB -0.919 39.898 40.800 0.028 0.000 1.073 698 D HN 0.452 nan 8.370 nan 0.000 0.424 699 L N 0.780 122.071 121.223 0.113 0.000 2.477 699 L HA 0.224 4.567 4.340 0.005 0.000 0.272 699 L C 0.108 177.088 176.870 0.185 0.000 1.157 699 L CA 0.754 55.675 54.840 0.135 0.000 0.889 699 L CB 0.117 42.279 42.059 0.172 0.000 1.158 699 L HN 0.003 nan 8.230 nan 0.000 0.473 700 N N 4.649 123.407 118.700 0.097 0.000 2.319 700 N HA 0.756 5.498 4.740 0.005 0.000 0.305 700 N C -1.088 174.476 175.510 0.090 0.000 1.103 700 N CA -0.490 52.586 53.050 0.044 0.000 0.815 700 N CB 2.136 40.596 38.487 -0.046 0.000 1.288 700 N HN 0.546 nan 8.380 nan 0.000 0.493 701 L N 0.647 121.916 121.223 0.077 0.000 2.376 701 L HA 0.970 5.313 4.340 0.005 0.000 0.258 701 L C -1.106 175.812 176.870 0.081 0.000 1.013 701 L CA -0.935 53.983 54.840 0.130 0.000 0.822 701 L CB 2.103 44.371 42.059 0.349 0.000 1.388 701 L HN 0.664 nan 8.230 nan 0.000 0.413 702 A N 1.312 124.171 122.820 0.065 0.000 2.580 702 A HA 0.703 5.026 4.320 0.005 0.000 0.301 702 A C -2.005 175.573 177.584 -0.010 0.000 1.054 702 A CA -0.456 51.661 52.037 0.132 0.000 0.751 702 A CB 0.800 19.849 19.000 0.081 0.000 1.275 702 A HN 0.356 nan 8.150 nan 0.000 0.403 703 F N 1.004 120.986 119.950 0.054 0.000 2.482 703 F HA 0.776 5.306 4.527 0.005 0.000 0.331 703 F C 0.882 176.591 175.800 -0.152 0.000 1.115 703 F CA -0.086 57.899 58.000 -0.025 0.000 0.955 703 F CB 2.723 41.724 39.000 0.002 0.000 1.136 703 F HN 0.925 nan 8.300 nan 0.000 0.452 704 G N 1.297 109.818 108.800 -0.464 0.000 2.696 704 G HA2 0.632 4.595 3.960 0.005 0.000 0.295 704 G HA3 0.632 4.595 3.960 0.005 0.000 0.295 704 G C -2.157 172.147 174.900 -0.993 0.000 1.398 704 G CA -0.806 43.845 45.100 -0.748 0.000 0.920 704 G HN 0.462 nan 8.290 nan 0.000 0.492 705 V N 0.777 120.458 119.914 -0.387 0.000 2.513 705 V HA 0.543 4.666 4.120 0.005 0.000 0.299 705 V C -0.093 176.024 176.094 0.038 0.000 1.035 705 V CA -0.919 61.284 62.300 -0.162 0.000 0.889 705 V CB 1.861 33.653 31.823 -0.052 0.000 0.988 705 V HN 0.652 nan 8.190 nan 0.000 0.440 706 K N 3.045 123.529 120.400 0.140 0.000 2.274 706 K HA 0.404 4.727 4.320 0.005 0.000 0.262 706 K C 0.060 176.728 176.600 0.113 0.000 0.961 706 K CA -0.527 55.877 56.287 0.195 0.000 0.833 706 K CB 0.709 33.364 32.500 0.258 0.000 1.102 706 K HN 0.735 nan 8.250 nan 0.000 0.436 707 N N 3.687 122.444 118.700 0.094 0.000 2.746 707 N HA -0.169 4.574 4.740 0.005 0.000 0.250 707 N C 0.555 176.100 175.510 0.058 0.000 1.055 707 N CA 0.167 53.269 53.050 0.087 0.000 0.699 707 N CB -0.741 37.806 38.487 0.101 0.000 0.919 707 N HN 0.640 nan 8.380 nan 0.000 0.548 708 I N -0.587 119.959 120.570 -0.039 0.000 2.181 708 I HA -0.312 3.861 4.170 0.005 0.000 0.247 708 I C 1.741 177.830 176.117 -0.047 0.000 1.081 708 I CA 1.598 62.819 61.300 -0.132 0.000 1.340 708 I CB -1.009 36.761 38.000 -0.383 0.000 1.036 708 I HN 0.258 nan 8.210 nan 0.000 0.417 709 F N 0.822 120.865 119.950 0.155 0.000 2.811 709 F HA 0.035 4.565 4.527 0.004 0.000 0.301 709 F C 0.976 176.844 175.800 0.114 0.000 1.151 709 F CA -0.335 57.741 58.000 0.126 0.000 1.412 709 F CB -1.152 37.940 39.000 0.152 0.000 1.113 709 F HN 0.127 nan 8.300 nan 0.000 0.579 710 D N 1.412 121.964 120.400 0.253 0.000 2.740 710 D HA -0.232 4.411 4.640 0.005 0.000 0.231 710 D C 0.441 176.862 176.300 0.202 0.000 1.194 710 D CA 0.351 54.465 54.000 0.191 0.000 0.673 710 D CB -0.604 40.295 40.800 0.165 0.000 0.995 710 D HN 0.218 nan 8.370 nan 0.000 0.411 711 Q N 0.721 120.663 119.800 0.237 0.000 2.368 711 Q HA 0.261 4.604 4.340 0.005 0.000 0.237 711 Q C -0.617 175.499 176.000 0.193 0.000 0.987 711 Q CA 0.097 56.030 55.803 0.217 0.000 0.896 711 Q CB 0.788 29.680 28.738 0.257 0.000 1.241 711 Q HN 0.298 nan 8.270 nan 0.000 0.485 712 D N 2.075 122.576 120.400 0.168 0.000 2.163 712 D HA 0.476 5.118 4.640 0.005 0.000 0.248 712 D C -0.892 175.529 176.300 0.202 0.000 1.035 712 D CA 0.106 54.187 54.000 0.135 0.000 0.872 712 D CB 0.743 41.606 40.800 0.104 0.000 1.183 712 D HN 0.420 nan 8.370 nan 0.000 0.445 713 Y N -0.314 119.946 120.300 -0.067 0.000 2.725 713 Y HA 0.737 5.290 4.550 0.004 0.000 0.333 713 Y C -1.765 174.114 175.900 -0.036 0.000 1.242 713 Y CA -1.691 56.304 58.100 -0.175 0.000 1.059 713 Y CB 0.827 39.008 38.460 -0.464 0.000 1.306 713 Y HN 0.331 nan 8.280 nan 0.000 0.454 714 F N 0.511 120.498 119.950 0.061 0.000 2.773 714 F HA 0.835 5.364 4.527 0.004 0.000 0.314 714 F C -2.008 173.873 175.800 0.135 0.000 1.160 714 F CA -1.797 56.181 58.000 -0.037 0.000 0.920 714 F CB 1.386 40.289 39.000 -0.162 0.000 1.323 714 F HN 0.690 nan 8.300 nan 0.000 0.457 715 I N -0.061 120.820 120.570 0.518 0.000 2.730 715 I HA 0.705 4.878 4.170 0.005 0.000 0.298 715 I C -1.205 175.188 176.117 0.460 0.000 1.089 715 I CA -1.266 60.300 61.300 0.443 0.000 1.041 715 I CB 2.124 40.289 38.000 0.276 0.000 1.235 715 I HN 0.868 nan 8.210 nan 0.000 0.423 716 R N 2.183 122.957 120.500 0.456 0.000 2.643 716 R HA 0.674 5.017 4.340 0.005 0.000 0.272 716 R C -0.364 176.150 176.300 0.356 0.000 0.995 716 R CA -0.830 55.517 56.100 0.413 0.000 1.032 716 R CB 1.714 32.244 30.300 0.383 0.000 1.126 716 R HN 0.781 nan 8.270 nan 0.000 0.505 717 S N 0.827 116.717 115.700 0.316 0.000 2.519 717 S HA 0.188 4.660 4.470 0.005 0.000 0.309 717 S C -0.477 174.311 174.600 0.314 0.000 1.100 717 S CA -0.633 57.676 58.200 0.181 0.000 1.059 717 S CB 0.842 64.097 63.200 0.091 0.000 1.008 717 S HN 0.709 nan 8.310 nan 0.000 0.478 718 Y N 3.789 124.235 120.300 0.243 0.000 2.353 718 Y HA 0.305 4.857 4.550 0.003 0.000 0.294 718 Y C 1.465 177.441 175.900 0.126 0.000 1.135 718 Y CA 1.147 59.368 58.100 0.202 0.000 1.176 718 Y CB 0.272 38.884 38.460 0.254 0.000 1.124 718 Y HN 0.650 nan 8.280 nan 0.000 0.537 719 D N 0.062 120.530 120.400 0.113 0.000 2.367 719 D HA 0.002 4.644 4.640 0.005 0.000 0.207 719 D C -0.410 175.884 176.300 -0.010 0.000 1.034 719 D CA 0.368 54.364 54.000 -0.007 0.000 0.861 719 D CB 0.043 40.920 40.800 0.129 0.000 0.943 719 D HN 0.391 nan 8.370 nan 0.000 0.515 720 D N 0.951 121.360 120.400 0.014 0.000 2.362 720 D HA 0.036 4.679 4.640 0.005 0.000 0.242 720 D C 1.269 177.585 176.300 0.026 0.000 1.132 720 D CA -0.156 53.855 54.000 0.018 0.000 0.907 720 D CB 0.954 41.765 40.800 0.018 0.000 1.195 720 D HN -0.066 nan 8.370 nan 0.000 0.429 721 N N 1.195 119.918 118.700 0.038 0.000 2.430 721 N HA -0.151 4.591 4.740 0.005 0.000 0.186 721 N C 0.711 176.259 175.510 0.063 0.000 1.032 721 N CA 0.738 53.816 53.050 0.046 0.000 0.893 721 N CB -0.017 38.509 38.487 0.065 0.000 0.957 721 N HN 0.471 nan 8.380 nan 0.000 0.442 722 N N 0.776 119.530 118.700 0.090 0.000 2.328 722 N HA -0.017 4.726 4.740 0.005 0.000 0.247 722 N C -0.561 175.034 175.510 0.142 0.000 1.165 722 N CA -0.248 52.868 53.050 0.111 0.000 0.873 722 N CB -0.167 38.410 38.487 0.150 0.000 1.125 722 N HN 0.139 nan 8.380 nan 0.000 0.513 723 K N -0.215 120.250 120.400 0.109 0.000 2.559 723 K HA 0.417 4.739 4.320 0.005 0.000 0.279 723 K C 0.539 177.203 176.600 0.107 0.000 0.967 723 K CA 0.148 56.515 56.287 0.134 0.000 1.000 723 K CB 0.216 32.734 32.500 0.029 0.000 0.890 723 K HN 0.247 nan 8.250 nan 0.000 0.501 724 G N 1.356 110.258 108.800 0.169 0.000 2.345 724 G HA2 0.185 4.148 3.960 0.005 0.000 0.285 724 G HA3 0.185 4.148 3.960 0.005 0.000 0.285 724 G C -1.385 173.534 174.900 0.033 0.000 1.297 724 G CA -1.167 43.943 45.100 0.016 0.000 0.875 724 G HN 0.542 nan 8.290 nan 0.000 0.506 725 I N 0.792 121.240 120.570 -0.204 0.000 2.342 725 I HA 0.341 4.513 4.170 0.005 0.000 0.291 725 I C -0.877 175.045 176.117 -0.325 0.000 1.010 725 I CA -0.467 60.623 61.300 -0.351 0.000 1.308 725 I CB 0.909 38.389 38.000 -0.867 0.000 1.400 725 I HN 0.322 nan 8.210 nan 0.000 0.488 726 Y N 5.242 125.476 120.300 -0.110 0.000 2.491 726 Y HA 0.476 5.028 4.550 0.004 0.000 0.334 726 Y C 0.759 176.704 175.900 0.076 0.000 0.969 726 Y CA -0.943 57.176 58.100 0.032 0.000 1.241 726 Y CB 1.058 39.575 38.460 0.097 0.000 1.105 726 Y HN 0.637 nan 8.280 nan 0.000 0.503 727 A N 2.683 125.622 122.820 0.198 0.000 2.584 727 A HA 0.333 4.655 4.320 0.005 0.000 0.239 727 A C 1.032 178.683 177.584 0.111 0.000 1.043 727 A CA 0.593 52.762 52.037 0.221 0.000 0.756 727 A CB -0.256 18.902 19.000 0.264 0.000 0.963 727 A HN 0.890 nan 8.150 nan 0.000 0.511 728 G N 1.163 109.769 108.800 -0.323 0.000 2.503 728 G HA2 0.432 4.395 3.960 0.005 0.000 0.257 728 G HA3 0.432 4.395 3.960 0.005 0.000 0.257 728 G C 0.193 174.380 174.900 -1.189 0.000 1.214 728 G CA -0.366 44.139 45.100 -0.992 0.000 0.839 728 G HN 1.035 nan 8.290 nan 0.000 0.559 729 Q N 1.742 120.723 119.800 -1.365 0.000 2.262 729 Q HA 0.095 4.437 4.340 0.005 0.000 0.298 729 Q C -1.968 173.642 176.000 -0.649 0.000 1.083 729 Q CA -0.808 54.088 55.803 -1.512 0.000 0.962 729 Q CB 0.720 28.857 28.738 -1.001 0.000 1.104 729 Q HN 0.288 nan 8.270 nan 0.000 0.376 730 P HA 0.136 nan 4.420 nan 0.000 0.283 730 P C -1.165 176.140 177.300 0.008 0.000 1.278 730 P CA -0.658 62.411 63.100 -0.051 0.000 0.834 730 P CB 0.710 32.540 31.700 0.216 0.000 1.150 731 R N 0.282 120.826 120.500 0.074 0.000 2.474 731 R HA 0.032 4.375 4.340 0.005 0.000 0.290 731 R C -0.648 175.697 176.300 0.075 0.000 0.918 731 R CA 1.095 57.242 56.100 0.080 0.000 1.130 731 R CB -0.662 29.691 30.300 0.090 0.000 0.881 731 R HN 0.432 nan 8.270 nan 0.000 0.416 732 T N 6.489 121.100 114.554 0.096 0.000 2.841 732 T HA 0.354 4.707 4.350 0.005 0.000 0.285 732 T C -0.464 174.310 174.700 0.122 0.000 0.991 732 T CA -0.687 61.491 62.100 0.130 0.000 0.966 732 T CB 0.996 69.979 68.868 0.192 0.000 0.962 732 T HN 0.414 nan 8.240 nan 0.000 0.438 733 L N 4.725 126.003 121.223 0.090 0.000 2.282 733 L HA 0.675 5.018 4.340 0.005 0.000 0.288 733 L C -0.613 176.306 176.870 0.082 0.000 1.033 733 L CA -1.100 53.753 54.840 0.022 0.000 0.807 733 L CB 0.403 42.485 42.059 0.039 0.000 1.209 733 L HN 0.722 nan 8.230 nan 0.000 0.423 734 Y N 1.880 122.216 120.300 0.060 0.000 2.638 734 Y HA 0.828 5.381 4.550 0.005 0.000 0.339 734 Y C -0.855 174.999 175.900 -0.077 0.000 1.084 734 Y CA -1.677 56.428 58.100 0.008 0.000 1.068 734 Y CB 1.896 40.366 38.460 0.017 0.000 1.294 734 Y HN 0.507 nan 8.280 nan 0.000 0.480 735 M N 2.095 121.779 119.600 0.141 0.000 2.501 735 M HA 0.505 4.988 4.480 0.005 0.000 0.293 735 M C -2.289 173.978 176.300 -0.056 0.000 1.192 735 M CA -0.379 54.801 55.300 -0.201 0.000 0.886 735 M CB 2.804 35.075 32.600 -0.548 0.000 1.710 735 M HN 1.065 nan 8.290 nan 0.000 0.457 736 Q N 1.304 121.041 119.800 -0.104 0.000 2.413 736 Q HA 0.813 5.156 4.340 0.005 0.000 0.276 736 Q C -0.666 175.295 176.000 -0.065 0.000 1.099 736 Q CA -1.063 54.712 55.803 -0.046 0.000 0.814 736 Q CB 2.759 31.500 28.738 0.005 0.000 1.379 736 Q HN 0.937 nan 8.270 nan 0.000 0.436 737 G N 0.314 109.093 108.800 -0.036 0.000 2.733 737 G HA2 0.452 4.414 3.960 0.005 0.000 0.289 737 G HA3 0.452 4.414 3.960 0.005 0.000 0.289 737 G C -1.428 173.461 174.900 -0.018 0.000 1.473 737 G CA -0.342 44.748 45.100 -0.016 0.000 1.123 737 G HN 0.331 nan 8.290 nan 0.000 0.544 738 S N 1.393 117.084 115.700 -0.015 0.000 2.503 738 S HA 0.830 5.302 4.470 0.005 0.000 0.301 738 S C -1.076 173.496 174.600 -0.047 0.000 1.087 738 S CA -0.631 57.545 58.200 -0.039 0.000 1.042 738 S CB 1.592 64.763 63.200 -0.047 0.000 1.043 738 S HN 0.975 nan 8.310 nan 0.000 0.489 739 L N 3.179 124.340 121.223 -0.103 0.000 2.436 739 L HA 0.868 5.211 4.340 0.005 0.000 0.268 739 L C -0.563 176.154 176.870 -0.256 0.000 0.974 739 L CA 0.045 54.780 54.840 -0.175 0.000 0.826 739 L CB 1.473 43.382 42.059 -0.250 0.000 1.291 739 L HN 0.844 nan 8.230 nan 0.000 0.406 740 K N 4.271 124.544 120.400 -0.212 0.000 2.426 740 K HA 0.851 5.174 4.320 0.005 0.000 0.251 740 K C -1.694 174.936 176.600 0.050 0.000 0.941 740 K CA -0.284 55.917 56.287 -0.144 0.000 0.808 740 K CB 1.474 nan 32.500 nan 0.000 1.265 740 K HN 0.571 nan 8.250 nan 0.000 0.432 741 F N 0.000 119.944 119.950 -0.009 0.000 2.286 741 F HA 0.000 4.530 4.527 0.005 0.000 0.279 741 F CA 0.000 58.012 58.000 0.020 0.000 1.383 741 F CB 0.000 39.029 39.000 0.049 0.000 1.145 741 F HN 0.000 nan 8.300 nan 0.000 0.574