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 1v6u_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVNEAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGSSTPPPS GGGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.576 177.584 -0.013 0.000 1.274 1 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 1 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 2 E N -0.669 119.521 120.200 -0.016 0.000 2.597 2 E HA 0.149 4.500 4.350 0.001 0.000 0.150 2 E C 0.255 176.840 176.600 -0.025 0.000 0.871 2 E CA 0.886 57.271 56.400 -0.025 0.000 1.364 2 E CB -0.885 28.800 29.700 -0.024 0.000 1.061 2 E HN 0.809 nan 8.360 nan 0.000 0.514 3 S N -0.602 115.091 115.700 -0.012 0.000 2.524 3 S HA 0.204 4.675 4.470 0.001 0.000 0.215 3 S C 0.869 175.488 174.600 0.032 0.000 0.986 3 S CA 0.400 58.605 58.200 0.008 0.000 0.911 3 S CB -0.118 63.087 63.200 0.009 0.000 0.805 3 S HN 0.379 nan 8.310 nan 0.000 0.501 4 T N -1.317 113.237 114.554 0.000 0.000 2.906 4 T HA 0.640 4.991 4.350 0.001 0.000 0.295 4 T C 0.898 175.543 174.700 -0.091 0.000 1.075 4 T CA -0.972 61.129 62.100 0.001 0.000 1.005 4 T CB 1.140 69.995 68.868 -0.022 0.000 1.136 4 T HN 0.010 nan 8.240 nan 0.000 0.498 5 L N 1.273 122.385 121.223 -0.185 0.000 2.012 5 L HA 0.078 4.418 4.340 0.001 0.000 0.210 5 L C 3.011 179.831 176.870 -0.083 0.000 1.073 5 L CA 1.891 56.526 54.840 -0.341 0.000 0.748 5 L CB -1.186 40.469 42.059 -0.672 0.000 0.891 5 L HN 0.977 nan 8.230 nan 0.000 0.431 6 G N -0.240 108.574 108.800 0.022 0.000 2.459 6 G HA2 -0.270 3.691 3.960 0.001 0.000 0.217 6 G HA3 -0.270 3.691 3.960 0.001 0.000 0.217 6 G C 1.779 176.729 174.900 0.084 0.000 1.183 6 G CA 0.942 46.127 45.100 0.142 0.000 0.776 6 G HN 0.474 nan 8.290 nan 0.000 0.552 7 A N 1.077 123.913 122.820 0.026 0.000 1.902 7 A HA 0.259 4.580 4.320 0.001 0.000 0.217 7 A C 2.818 180.407 177.584 0.008 0.000 1.181 7 A CA 2.313 54.359 52.037 0.015 0.000 0.623 7 A CB -0.773 18.225 19.000 -0.003 0.000 0.818 7 A HN 0.826 nan 8.150 nan 0.000 0.443 8 A N -0.151 122.660 122.820 -0.016 0.000 1.902 8 A HA 0.167 4.487 4.320 0.001 0.000 0.217 8 A C 2.502 180.088 177.584 0.004 0.000 1.181 8 A CA 2.075 54.095 52.037 -0.029 0.000 0.623 8 A CB -0.993 17.955 19.000 -0.086 0.000 0.818 8 A HN 1.051 nan 8.150 nan 0.000 0.443 9 A N -0.182 122.664 122.820 0.045 0.000 1.930 9 A HA 0.201 4.521 4.320 0.001 0.000 0.217 9 A C 2.459 180.079 177.584 0.059 0.000 1.175 9 A CA 1.880 53.966 52.037 0.082 0.000 0.627 9 A CB -0.957 18.154 19.000 0.185 0.000 0.815 9 A HN 1.088 nan 8.150 nan 0.000 0.443 10 A N -0.727 122.133 122.820 0.067 0.000 2.024 10 A HA -0.227 4.093 4.320 0.001 0.000 0.220 10 A C 2.026 179.629 177.584 0.031 0.000 1.164 10 A CA 1.627 53.698 52.037 0.057 0.000 0.643 10 A CB -0.560 18.473 19.000 0.056 0.000 0.806 10 A HN 0.662 nan 8.150 nan 0.000 0.451 11 Q N -0.043 119.769 119.800 0.019 0.000 2.234 11 Q HA -0.146 4.194 4.340 0.001 0.000 0.206 11 Q C 1.717 177.721 176.000 0.006 0.000 0.980 11 Q CA 1.674 57.482 55.803 0.008 0.000 0.869 11 Q CB -0.161 28.576 28.738 -0.001 0.000 0.912 11 Q HN 0.821 nan 8.270 nan 0.000 0.436 12 S N -2.183 113.522 115.700 0.008 0.000 2.575 12 S HA 0.375 4.846 4.470 0.001 0.000 0.237 12 S C 0.990 175.592 174.600 0.004 0.000 0.975 12 S CA 0.068 58.269 58.200 0.001 0.000 0.960 12 S CB 0.986 64.183 63.200 -0.006 0.000 0.822 12 S HN 0.449 nan 8.310 nan 0.000 0.472 13 G N 1.365 110.175 108.800 0.016 0.000 2.148 13 G HA2 -0.261 3.700 3.960 0.001 0.000 0.254 13 G HA3 -0.261 3.700 3.960 0.001 0.000 0.254 13 G C 0.106 175.024 174.900 0.030 0.000 0.981 13 G CA 0.120 45.235 45.100 0.026 0.000 0.670 13 G HN 0.618 nan 8.290 nan 0.000 0.528 14 R N -1.090 119.419 120.500 0.015 0.000 2.810 14 R HA 0.740 5.080 4.340 0.001 0.000 0.245 14 R C -0.068 176.263 176.300 0.052 0.000 1.168 14 R CA -0.637 55.441 56.100 -0.036 0.000 1.096 14 R CB 0.858 31.094 30.300 -0.107 0.000 1.259 14 R HN 0.492 nan 8.270 nan 0.000 0.518 15 Y N -1.504 118.843 120.300 0.078 0.000 2.570 15 Y HA 0.671 5.222 4.550 0.001 0.000 0.345 15 Y C -1.370 174.624 175.900 0.158 0.000 1.014 15 Y CA -1.810 56.355 58.100 0.109 0.000 1.063 15 Y CB 1.145 39.646 38.460 0.068 0.000 1.272 15 Y HN 0.428 nan 8.280 nan 0.000 0.477 16 F N 1.724 121.902 119.950 0.380 0.000 2.539 16 F HA 0.806 5.333 4.527 0.001 0.000 0.328 16 F C 0.001 176.112 175.800 0.520 0.000 1.148 16 F CA -0.665 57.555 58.000 0.366 0.000 0.940 16 F CB 1.588 40.730 39.000 0.238 0.000 1.194 16 F HN 0.955 nan 8.300 nan 0.000 0.438 17 G N 2.099 111.116 108.800 0.362 0.000 3.108 17 G HA2 0.636 4.596 3.960 0.001 0.000 0.268 17 G HA3 0.636 4.596 3.960 0.001 0.000 0.268 17 G C -1.330 173.457 174.900 -0.188 0.000 1.361 17 G CA -0.646 44.590 45.100 0.228 0.000 1.047 17 G HN 0.653 nan 8.290 nan 0.000 0.540 18 T N -2.122 112.146 114.554 -0.477 0.000 2.754 18 T HA 0.628 4.979 4.350 0.001 0.000 0.296 18 T C -1.259 173.182 174.700 -0.433 0.000 1.205 18 T CA 0.207 61.907 62.100 -0.667 0.000 1.009 18 T CB 1.353 69.385 68.868 -1.393 0.000 1.368 18 T HN 1.296 nan 8.240 nan 0.000 0.509 19 A N 2.543 125.057 122.820 -0.511 0.000 2.260 19 A HA 0.692 5.013 4.320 0.001 0.000 0.314 19 A C -0.402 176.901 177.584 -0.469 0.000 1.257 19 A CA -0.591 51.046 52.037 -0.667 0.000 0.871 19 A CB 0.012 18.128 19.000 -1.474 0.000 1.166 19 A HN 0.642 nan 8.150 nan 0.000 0.522 20 I N 2.067 122.444 120.570 -0.321 0.000 2.385 20 I HA 0.446 4.617 4.170 0.001 0.000 0.294 20 I C 0.686 176.689 176.117 -0.190 0.000 0.988 20 I CA -0.153 61.030 61.300 -0.195 0.000 1.265 20 I CB 1.336 39.221 38.000 -0.190 0.000 1.388 20 I HN 0.696 nan 8.210 nan 0.000 0.480 21 A N 4.305 127.030 122.820 -0.159 0.000 2.258 21 A HA 0.434 4.754 4.320 0.001 0.000 0.316 21 A C 1.057 178.497 177.584 -0.239 0.000 1.279 21 A CA -0.264 51.651 52.037 -0.204 0.000 0.876 21 A CB 0.660 19.518 19.000 -0.236 0.000 1.170 21 A HN 0.837 nan 8.150 nan 0.000 0.520 22 S N 2.630 118.234 115.700 -0.159 0.000 2.387 22 S HA -0.154 4.317 4.470 0.001 0.000 0.230 22 S C 1.775 176.271 174.600 -0.173 0.000 1.035 22 S CA 1.729 59.843 58.200 -0.142 0.000 1.014 22 S CB -0.660 62.508 63.200 -0.053 0.000 0.836 22 S HN 1.226 nan 8.310 nan 0.000 0.466 23 G N 1.496 110.190 108.800 -0.176 0.000 2.509 23 G HA2 -0.052 3.909 3.960 0.001 0.000 0.218 23 G HA3 -0.052 3.909 3.960 0.001 0.000 0.218 23 G C 1.486 176.231 174.900 -0.258 0.000 1.124 23 G CA 0.387 45.383 45.100 -0.173 0.000 0.776 23 G HN 0.513 nan 8.290 nan 0.000 0.547 24 K N 0.015 120.155 120.400 -0.433 0.000 2.379 24 K HA 0.257 4.578 4.320 0.001 0.000 0.194 24 K C 2.106 178.411 176.600 -0.491 0.000 1.031 24 K CA -0.224 55.660 56.287 -0.672 0.000 1.037 24 K CB 0.082 31.650 32.500 -1.553 0.000 0.824 24 K HN 0.319 nan 8.250 nan 0.000 0.516 25 L N 0.592 121.602 121.223 -0.354 0.000 2.447 25 L HA -0.101 4.240 4.340 0.001 0.000 0.225 25 L C 1.987 178.785 176.870 -0.119 0.000 1.148 25 L CA 1.068 55.751 54.840 -0.261 0.000 0.808 25 L CB -0.575 41.285 42.059 -0.331 0.000 0.928 25 L HN 0.232 nan 8.230 nan 0.000 0.448 26 G N -1.783 106.949 108.800 -0.113 0.000 2.939 26 G HA2 -0.118 3.842 3.960 0.001 0.000 0.210 26 G HA3 -0.118 3.842 3.960 0.001 0.000 0.210 26 G C 0.362 175.242 174.900 -0.034 0.000 1.160 26 G CA -0.191 44.878 45.100 -0.052 0.000 0.770 26 G HN 0.179 nan 8.290 nan 0.000 0.543 27 D N 1.082 121.452 120.400 -0.050 0.000 2.347 27 D HA 0.169 4.809 4.640 0.001 0.000 0.235 27 D C 1.860 178.196 176.300 0.060 0.000 1.149 27 D CA 0.131 54.127 54.000 -0.007 0.000 0.850 27 D CB 1.415 42.191 40.800 -0.041 0.000 1.061 27 D HN 0.140 nan 8.370 nan 0.000 0.487 28 S N 3.382 119.110 115.700 0.046 0.000 2.370 28 S HA -0.215 4.255 4.470 0.001 0.000 0.226 28 S C 2.041 176.673 174.600 0.053 0.000 1.033 28 S CA 0.987 59.219 58.200 0.055 0.000 1.011 28 S CB -0.247 62.975 63.200 0.036 0.000 0.852 28 S HN 0.482 nan 8.310 nan 0.000 0.457 29 A N 0.726 123.574 122.820 0.047 0.000 1.902 29 A HA -0.036 4.284 4.320 0.001 0.000 0.217 29 A C 2.066 179.671 177.584 0.035 0.000 1.181 29 A CA 1.564 53.618 52.037 0.029 0.000 0.623 29 A CB -1.204 17.814 19.000 0.030 0.000 0.818 29 A HN 0.678 nan 8.150 nan 0.000 0.443 30 Y N 1.584 121.846 120.300 -0.065 0.000 2.133 30 Y HA -0.215 4.335 4.550 0.001 0.000 0.287 30 Y C 2.938 178.790 175.900 -0.079 0.000 1.134 30 Y CA 2.688 60.733 58.100 -0.091 0.000 1.133 30 Y CB -0.570 37.824 38.460 -0.111 0.000 0.987 30 Y HN 0.430 nan 8.280 nan 0.000 0.502 31 T N -3.689 110.930 114.554 0.109 0.000 2.915 31 T HA -0.127 4.223 4.350 0.001 0.000 0.269 31 T C 1.763 176.517 174.700 0.090 0.000 1.071 31 T CA 1.587 63.746 62.100 0.099 0.000 1.132 31 T CB -0.932 68.061 68.868 0.208 0.000 0.878 31 T HN 0.328 nan 8.240 nan 0.000 0.479 32 T N 2.105 116.673 114.554 0.024 0.000 2.746 32 T HA 0.104 4.455 4.350 0.001 0.000 0.267 32 T C 1.843 176.497 174.700 -0.077 0.000 1.039 32 T CA 1.336 63.431 62.100 -0.007 0.000 1.142 32 T CB -0.384 68.471 68.868 -0.021 0.000 0.866 32 T HN 0.433 nan 8.240 nan 0.000 0.444 33 I N 1.113 121.575 120.570 -0.180 0.000 2.193 33 I HA -0.102 4.068 4.170 0.001 0.000 0.240 33 I C 2.952 178.920 176.117 -0.248 0.000 1.084 33 I CA 1.008 62.101 61.300 -0.345 0.000 1.365 33 I CB -0.560 37.062 38.000 -0.631 0.000 1.064 33 I HN 0.167 nan 8.210 nan 0.000 0.410 34 A N 1.185 123.919 122.820 -0.144 0.000 1.865 34 A HA -0.268 4.053 4.320 0.001 0.000 0.217 34 A C 2.518 180.304 177.584 0.337 0.000 1.191 34 A CA 2.651 54.791 52.037 0.171 0.000 0.623 34 A CB -1.121 17.852 19.000 -0.044 0.000 0.826 34 A HN 0.534 nan 8.150 nan 0.000 0.444 35 S N -0.455 115.441 115.700 0.325 0.000 2.419 35 S HA -0.212 4.258 4.470 0.001 0.000 0.235 35 S C 2.013 176.618 174.600 0.009 0.000 1.019 35 S CA 1.418 59.701 58.200 0.138 0.000 0.982 35 S CB -0.401 62.854 63.200 0.093 0.000 0.789 35 S HN 0.657 nan 8.310 nan 0.000 0.490 36 R N 0.965 121.453 120.500 -0.020 0.000 2.066 36 R HA 0.060 4.401 4.340 0.001 0.000 0.224 36 R C 1.902 178.133 176.300 -0.114 0.000 1.122 36 R CA 1.172 57.231 56.100 -0.068 0.000 0.974 36 R CB -0.089 30.164 30.300 -0.079 0.000 0.871 36 R HN 0.356 nan 8.270 nan 0.000 0.435 37 E N -0.176 119.871 120.200 -0.255 0.000 2.230 37 E HA -0.004 4.347 4.350 0.001 0.000 0.192 37 E C -0.193 176.100 176.600 -0.513 0.000 0.987 37 E CA 0.583 56.702 56.400 -0.469 0.000 0.841 37 E CB 0.202 29.417 29.700 -0.809 0.000 0.783 37 E HN 0.153 nan 8.360 nan 0.000 0.481 38 F N 1.497 121.526 119.950 0.132 0.000 2.480 38 F HA 0.246 4.773 4.527 0.001 0.000 0.329 38 F C 0.894 176.756 175.800 0.104 0.000 1.091 38 F CA -1.204 56.900 58.000 0.174 0.000 0.972 38 F CB 0.900 40.011 39.000 0.185 0.000 1.150 38 F HN -0.177 nan 8.300 nan 0.000 0.467 39 N N 0.919 119.803 118.700 0.308 0.000 2.282 39 N HA 0.360 5.101 4.740 0.001 0.000 0.240 39 N C -0.736 174.823 175.510 0.081 0.000 1.182 39 N CA -0.129 53.011 53.050 0.150 0.000 0.874 39 N CB 0.764 39.327 38.487 0.128 0.000 1.126 39 N HN 0.573 nan 8.380 nan 0.000 0.516 40 M N 0.312 119.967 119.600 0.092 0.000 2.371 40 M HA 0.545 5.026 4.480 0.001 0.000 0.287 40 M C -2.243 174.021 176.300 -0.059 0.000 1.149 40 M CA -0.783 54.449 55.300 -0.112 0.000 0.929 40 M CB 2.329 34.691 32.600 -0.397 0.000 1.683 40 M HN -0.157 nan 8.290 nan 0.000 0.470 41 V N 2.958 122.810 119.914 -0.103 0.000 2.789 41 V HA 0.812 4.933 4.120 0.001 0.000 0.311 41 V C -0.774 175.245 176.094 -0.125 0.000 1.073 41 V CA -0.516 61.741 62.300 -0.072 0.000 0.921 41 V CB 2.569 34.420 31.823 0.047 0.000 1.009 41 V HN 0.885 nan 8.190 nan 0.000 0.426 42 T N 3.435 117.902 114.554 -0.145 0.000 2.840 42 T HA 0.604 4.954 4.350 0.001 0.000 0.287 42 T C -0.013 174.593 174.700 -0.155 0.000 0.991 42 T CA -0.271 61.748 62.100 -0.135 0.000 0.964 42 T CB 1.561 70.377 68.868 -0.086 0.000 0.954 42 T HN 0.951 nan 8.240 nan 0.000 0.438 43 A N 2.308 125.081 122.820 -0.079 0.000 2.491 43 A HA 0.226 4.546 4.320 0.001 0.000 0.261 43 A C 1.421 178.976 177.584 -0.049 0.000 1.101 43 A CA -0.234 51.772 52.037 -0.051 0.000 0.772 43 A CB -0.103 18.915 19.000 0.029 0.000 1.043 43 A HN 1.057 nan 8.150 nan 0.000 0.501 44 E N 2.286 122.374 120.200 -0.186 0.000 2.160 44 E HA -0.201 4.149 4.350 0.001 0.000 0.195 44 E C 0.770 177.431 176.600 0.102 0.000 0.991 44 E CA 1.909 58.171 56.400 -0.230 0.000 0.810 44 E CB 0.081 29.548 29.700 -0.388 0.000 0.742 44 E HN 0.813 nan 8.360 nan 0.000 0.466 45 N N -1.410 117.355 118.700 0.107 0.000 2.072 45 N HA -0.032 4.709 4.740 0.001 0.000 0.246 45 N C 0.912 176.525 175.510 0.172 0.000 1.215 45 N CA 0.283 53.439 53.050 0.176 0.000 0.799 45 N CB 0.118 38.680 38.487 0.126 0.000 1.407 45 N HN -0.031 nan 8.380 nan 0.000 0.489 46 E N 1.040 121.319 120.200 0.131 0.000 2.273 46 E HA -0.014 4.336 4.350 0.001 0.000 0.198 46 E C 1.104 177.839 176.600 0.225 0.000 1.002 46 E CA 1.085 57.578 56.400 0.155 0.000 0.828 46 E CB -0.091 29.686 29.700 0.129 0.000 0.747 46 E HN 0.372 nan 8.360 nan 0.000 0.491 47 M N -0.172 119.575 119.600 0.245 0.000 2.405 47 M HA 0.141 4.622 4.480 0.001 0.000 0.292 47 M C -0.147 176.367 176.300 0.356 0.000 1.111 47 M CA -0.086 55.411 55.300 0.328 0.000 0.979 47 M CB 0.601 33.360 32.600 0.265 0.000 1.426 47 M HN -0.152 nan 8.290 nan 0.000 0.509 48 K N 0.424 121.005 120.400 0.301 0.000 2.102 48 K HA 0.310 4.630 4.320 0.001 0.000 0.244 48 K C 1.117 177.906 176.600 0.314 0.000 1.021 48 K CA -0.377 56.088 56.287 0.298 0.000 0.913 48 K CB 1.334 34.011 32.500 0.295 0.000 1.062 48 K HN 0.062 nan 8.250 nan 0.000 0.485 49 I N 1.376 122.116 120.570 0.284 0.000 2.118 49 I HA -0.368 3.803 4.170 0.001 0.000 0.241 49 I C 2.050 178.190 176.117 0.037 0.000 1.070 49 I CA 1.692 63.071 61.300 0.131 0.000 1.327 49 I CB -0.559 37.354 38.000 -0.144 0.000 1.034 49 I HN 0.771 nan 8.210 nan 0.000 0.405 50 D N 1.636 122.030 120.400 -0.010 0.000 2.218 50 D HA -0.158 4.482 4.640 0.001 0.000 0.204 50 D C 1.936 178.276 176.300 0.066 0.000 0.976 50 D CA 1.520 55.508 54.000 -0.019 0.000 0.853 50 D CB -0.251 40.513 40.800 -0.060 0.000 0.939 50 D HN 0.387 nan 8.370 nan 0.000 0.481 51 A N 0.517 123.405 122.820 0.113 0.000 1.975 51 A HA -0.002 4.319 4.320 0.001 0.000 0.215 51 A C 2.261 179.922 177.584 0.127 0.000 1.170 51 A CA 1.694 53.803 52.037 0.120 0.000 0.656 51 A CB -0.620 18.466 19.000 0.143 0.000 0.821 51 A HN 0.428 nan 8.150 nan 0.000 0.449 52 T N -3.319 111.357 114.554 0.203 0.000 3.060 52 T HA 0.219 4.569 4.350 0.001 0.000 0.249 52 T C 0.417 175.230 174.700 0.188 0.000 1.079 52 T CA 0.693 62.884 62.100 0.152 0.000 1.013 52 T CB 0.078 69.142 68.868 0.327 0.000 0.975 52 T HN 0.450 nan 8.240 nan 0.000 0.518 53 E N 1.145 121.492 120.200 0.244 0.000 3.191 53 E HA 0.274 4.624 4.350 0.001 0.000 0.303 53 E C -2.506 174.228 176.600 0.223 0.000 1.197 53 E CA -1.683 54.814 56.400 0.162 0.000 0.901 53 E CB 1.201 31.104 29.700 0.338 0.000 1.446 53 E HN 0.052 nan 8.360 nan 0.000 0.385 54 P HA -0.139 nan 4.420 nan 0.000 0.219 54 P C -0.333 177.088 177.300 0.202 0.000 1.146 54 P CA 1.116 64.303 63.100 0.146 0.000 0.808 54 P CB 0.242 31.962 31.700 0.033 0.000 0.779 55 Q N -1.244 118.515 119.800 -0.069 0.000 2.331 55 Q HA 0.257 4.597 4.340 0.001 0.000 0.272 55 Q C -0.405 175.043 176.000 -0.920 0.000 1.062 55 Q CA -0.880 54.615 55.803 -0.514 0.000 0.806 55 Q CB 2.072 30.598 28.738 -0.353 0.000 1.312 55 Q HN 0.004 nan 8.270 nan 0.000 0.431 56 R N 0.063 119.445 120.500 -1.864 0.000 2.504 56 R HA 0.162 4.503 4.340 0.001 0.000 0.291 56 R C 0.983 176.790 176.300 -0.821 0.000 0.974 56 R CA 1.967 57.068 56.100 -1.665 0.000 1.077 56 R CB -0.194 29.064 30.300 -1.736 0.000 0.926 56 R HN 0.939 nan 8.270 nan 0.000 0.407 57 G N 2.821 111.207 108.800 -0.689 0.000 2.336 57 G HA2 -0.314 3.647 3.960 0.001 0.000 0.233 57 G HA3 -0.314 3.647 3.960 0.001 0.000 0.233 57 G C -0.098 174.461 174.900 -0.567 0.000 1.053 57 G CA 0.126 44.922 45.100 -0.506 0.000 0.625 57 G HN 0.607 nan 8.290 nan 0.000 0.511 58 Q N 0.565 120.020 119.800 -0.575 0.000 2.390 58 Q HA 0.595 4.936 4.340 0.001 0.000 0.249 58 Q C -0.873 174.842 176.000 -0.474 0.000 0.996 58 Q CA -0.451 55.113 55.803 -0.399 0.000 0.899 58 Q CB 0.602 29.182 28.738 -0.264 0.000 1.216 58 Q HN 0.316 nan 8.270 nan 0.000 0.465 59 F N 1.675 121.522 119.950 -0.172 0.000 2.385 59 F HA 0.304 4.832 4.527 0.001 0.000 0.336 59 F C 0.729 176.218 175.800 -0.518 0.000 1.100 59 F CA -0.727 57.041 58.000 -0.387 0.000 1.116 59 F CB 0.960 39.663 39.000 -0.496 0.000 1.166 59 F HN 0.383 nan 8.300 nan 0.000 0.511 60 N N 2.641 121.068 118.700 -0.457 0.000 2.448 60 N HA 0.250 4.991 4.740 0.001 0.000 0.279 60 N C -1.028 174.200 175.510 -0.471 0.000 1.025 60 N CA -0.293 52.555 53.050 -0.337 0.000 0.898 60 N CB 0.700 39.111 38.487 -0.127 0.000 1.303 60 N HN 0.403 nan 8.380 nan 0.000 0.495 61 F N 1.128 121.053 119.950 -0.042 0.000 2.683 61 F HA 0.297 4.825 4.527 0.001 0.000 0.306 61 F C 1.976 177.824 175.800 0.079 0.000 1.102 61 F CA -0.301 57.663 58.000 -0.060 0.000 1.244 61 F CB 0.322 38.983 39.000 -0.564 0.000 1.029 61 F HN 0.350 nan 8.300 nan 0.000 0.545 62 S N 1.007 116.822 115.700 0.191 0.000 2.354 62 S HA -0.261 4.209 4.470 0.001 0.000 0.219 62 S C 2.502 177.217 174.600 0.191 0.000 1.035 62 S CA 1.695 60.000 58.200 0.175 0.000 1.037 62 S CB -0.658 62.607 63.200 0.108 0.000 0.956 62 S HN 0.408 nan 8.310 nan 0.000 0.428 63 A N 1.442 124.359 122.820 0.161 0.000 1.908 63 A HA 0.027 4.347 4.320 0.001 0.000 0.218 63 A C 2.341 180.048 177.584 0.204 0.000 1.181 63 A CA 1.903 54.029 52.037 0.148 0.000 0.627 63 A CB -1.506 17.561 19.000 0.112 0.000 0.818 63 A HN 0.541 nan 8.150 nan 0.000 0.445 64 G N -0.235 108.740 108.800 0.292 0.000 2.421 64 G HA2 -0.239 3.722 3.960 0.001 0.000 0.216 64 G HA3 -0.239 3.722 3.960 0.001 0.000 0.216 64 G C 1.120 176.281 174.900 0.436 0.000 1.171 64 G CA 1.192 46.518 45.100 0.375 0.000 0.775 64 G HN 0.460 nan 8.290 nan 0.000 0.543 65 D N 0.131 120.835 120.400 0.507 0.000 2.178 65 D HA -0.062 4.578 4.640 0.001 0.000 0.201 65 D C 2.472 179.001 176.300 0.381 0.000 0.980 65 D CA 0.606 54.919 54.000 0.522 0.000 0.842 65 D CB -0.141 40.923 40.800 0.441 0.000 0.948 65 D HN 0.146 nan 8.370 nan 0.000 0.472 66 R N 0.721 121.387 120.500 0.278 0.000 2.080 66 R HA -0.112 4.229 4.340 0.001 0.000 0.236 66 R C 2.117 178.544 176.300 0.210 0.000 1.137 66 R CA 1.085 57.308 56.100 0.204 0.000 0.943 66 R CB -0.727 29.657 30.300 0.140 0.000 0.846 66 R HN 0.039 nan 8.270 nan 0.000 0.431 67 V N -0.016 120.015 119.914 0.194 0.000 2.307 67 V HA -0.221 3.900 4.120 0.001 0.000 0.245 67 V C 1.958 178.181 176.094 0.216 0.000 1.045 67 V CA 1.910 64.312 62.300 0.169 0.000 1.024 67 V CB -0.809 31.073 31.823 0.099 0.000 0.651 67 V HN 0.389 nan 8.190 nan 0.000 0.449 68 Y N 2.180 122.553 120.300 0.121 0.000 2.097 68 Y HA -0.270 4.281 4.550 0.001 0.000 0.282 68 Y C 2.539 178.504 175.900 0.109 0.000 1.152 68 Y CA 2.113 60.256 58.100 0.072 0.000 1.136 68 Y CB -0.528 37.984 38.460 0.087 0.000 0.975 68 Y HN 0.285 nan 8.280 nan 0.000 0.498 69 N N -0.327 118.372 118.700 -0.002 0.000 2.043 69 N HA -0.260 4.481 4.740 0.001 0.000 0.193 69 N C 1.658 177.131 175.510 -0.062 0.000 1.037 69 N CA 1.738 54.739 53.050 -0.081 0.000 0.851 69 N CB -1.375 37.181 38.487 0.116 0.000 1.027 69 N HN 0.666 nan 8.380 nan 0.000 0.422 70 W N 2.115 123.364 121.300 -0.085 0.000 2.318 70 W HA -0.172 4.488 4.660 0.001 0.000 0.313 70 W C 2.414 178.866 176.519 -0.111 0.000 1.221 70 W CA 2.561 59.867 57.345 -0.066 0.000 1.266 70 W CB -0.456 28.992 29.460 -0.020 0.000 1.150 70 W HN 0.120 nan 8.180 nan 0.000 0.496 71 A N -0.070 122.775 122.820 0.043 0.000 1.851 71 A HA -0.245 4.076 4.320 0.001 0.000 0.216 71 A C 2.042 179.411 177.584 -0.359 0.000 1.195 71 A CA 2.879 54.817 52.037 -0.164 0.000 0.622 71 A CB -1.398 17.576 19.000 -0.043 0.000 0.831 71 A HN 0.206 nan 8.150 nan 0.000 0.444 72 V N 0.069 119.734 119.914 -0.416 0.000 2.343 72 V HA -0.265 3.855 4.120 0.001 0.000 0.247 72 V C 2.706 178.621 176.094 -0.299 0.000 1.051 72 V CA 2.065 64.143 62.300 -0.370 0.000 1.036 72 V CB -0.811 30.726 31.823 -0.477 0.000 0.654 72 V HN 0.544 nan 8.190 nan 0.000 0.451 73 Q N -0.049 119.564 119.800 -0.312 0.000 2.226 73 Q HA -0.096 4.244 4.340 0.001 0.000 0.204 73 Q C 1.591 177.392 176.000 -0.332 0.000 0.975 73 Q CA 1.009 56.653 55.803 -0.265 0.000 0.866 73 Q CB -0.378 28.227 28.738 -0.221 0.000 0.915 73 Q HN 0.642 nan 8.270 nan 0.000 0.440 74 N N -0.572 117.825 118.700 -0.505 0.000 2.251 74 N HA 0.101 4.841 4.740 0.001 0.000 0.217 74 N C 0.169 175.462 175.510 -0.360 0.000 1.124 74 N CA 0.629 53.360 53.050 -0.531 0.000 0.843 74 N CB 1.087 38.980 38.487 -0.990 0.000 1.024 74 N HN 0.278 nan 8.380 nan 0.000 0.501 75 G N 1.343 109.981 108.800 -0.270 0.000 2.212 75 G HA2 -0.277 3.684 3.960 0.001 0.000 0.255 75 G HA3 -0.277 3.684 3.960 0.001 0.000 0.255 75 G C -0.321 174.492 174.900 -0.145 0.000 1.062 75 G CA 0.182 45.177 45.100 -0.174 0.000 0.815 75 G HN 0.263 nan 8.290 nan 0.000 0.497 76 K N -0.099 120.193 120.400 -0.180 0.000 2.371 76 K HA 0.604 4.924 4.320 0.001 0.000 0.251 76 K C 0.452 176.972 176.600 -0.134 0.000 0.934 76 K CA -0.683 55.532 56.287 -0.121 0.000 0.798 76 K CB 1.830 34.279 32.500 -0.086 0.000 1.204 76 K HN 0.330 nan 8.250 nan 0.000 0.427 77 Q N 0.479 120.205 119.800 -0.124 0.000 2.407 77 Q HA 0.500 4.841 4.340 0.001 0.000 0.214 77 Q C -0.603 175.299 176.000 -0.163 0.000 1.043 77 Q CA -0.766 54.956 55.803 -0.136 0.000 0.983 77 Q CB 1.095 29.740 28.738 -0.154 0.000 1.211 77 Q HN 0.254 nan 8.270 nan 0.000 0.564 78 V N 0.872 120.689 119.914 -0.163 0.000 2.709 78 V HA 0.400 4.521 4.120 0.001 0.000 0.308 78 V C -0.770 175.149 176.094 -0.292 0.000 1.062 78 V CA -0.834 61.350 62.300 -0.193 0.000 0.901 78 V CB 1.947 33.705 31.823 -0.110 0.000 1.003 78 V HN 0.642 nan 8.190 nan 0.000 0.425 79 R N 2.407 122.729 120.500 -0.296 0.000 2.255 79 R HA 0.548 4.889 4.340 0.001 0.000 0.326 79 R C 0.362 176.412 176.300 -0.417 0.000 0.986 79 R CA -0.440 55.473 56.100 -0.312 0.000 0.847 79 R CB 1.735 31.922 30.300 -0.189 0.000 1.111 79 R HN 0.913 nan 8.270 nan 0.000 0.452 80 G N 1.763 110.089 108.800 -0.789 0.000 2.364 80 G HA2 0.122 4.082 3.960 0.001 0.000 0.267 80 G HA3 0.122 4.082 3.960 0.001 0.000 0.267 80 G C -0.859 173.923 174.900 -0.196 0.000 1.233 80 G CA 0.012 44.379 45.100 -1.222 0.000 0.885 80 G HN 0.633 nan 8.290 nan 0.000 0.490 81 H N 0.361 119.409 119.070 -0.036 0.000 3.013 81 H HA 0.596 5.152 4.556 0.001 0.000 0.326 81 H C -0.597 174.867 175.328 0.226 0.000 0.973 81 H CA -0.230 55.886 56.048 0.115 0.000 1.369 81 H CB 1.908 31.696 29.762 0.044 0.000 1.598 81 H HN 0.650 nan 8.280 nan 0.000 0.518 82 T N 4.182 118.733 114.554 -0.005 0.000 2.853 82 T HA 0.274 4.625 4.350 0.001 0.000 0.311 82 T C 0.494 175.277 174.700 0.138 0.000 1.307 82 T CA -0.663 61.413 62.100 -0.040 0.000 1.019 82 T CB 1.101 69.614 68.868 -0.592 0.000 1.264 82 T HN 0.512 nan 8.240 nan 0.000 0.497 83 L N 1.729 123.005 121.223 0.089 0.000 2.102 83 L HA 0.508 4.849 4.340 0.001 0.000 0.202 83 L C 1.353 178.353 176.870 0.217 0.000 1.076 83 L CA 0.433 55.316 54.840 0.072 0.000 0.761 83 L CB -0.255 41.693 42.059 -0.186 0.000 0.921 83 L HN 0.684 nan 8.230 nan 0.000 0.444 84 A N -1.070 121.858 122.820 0.181 0.000 2.310 84 A HA 0.512 4.833 4.320 0.001 0.000 0.304 84 A C -1.838 175.997 177.584 0.419 0.000 1.231 84 A CA -0.180 52.039 52.037 0.305 0.000 0.799 84 A CB 0.583 19.808 19.000 0.375 0.000 1.162 84 A HN 0.238 nan 8.150 nan 0.000 0.486 85 W N 3.893 125.261 121.300 0.114 0.000 3.296 85 W HA 0.376 5.036 4.660 0.001 0.000 0.314 85 W C 0.630 177.146 176.519 -0.004 0.000 1.238 85 W CA -0.932 56.461 57.345 0.079 0.000 1.193 85 W CB 0.943 30.375 29.460 -0.045 0.000 1.383 85 W HN 0.800 nan 8.180 nan 0.000 0.545 86 H N 0.735 119.855 119.070 0.083 0.000 2.502 86 H HA 0.232 4.789 4.556 0.001 0.000 0.283 86 H C -0.032 175.014 175.328 -0.470 0.000 1.015 86 H CA 0.867 56.804 56.048 -0.184 0.000 1.298 86 H CB 0.083 29.807 29.762 -0.064 0.000 1.411 86 H HN 0.077 nan 8.280 nan 0.000 0.556 87 S N 0.356 115.028 115.700 -1.713 0.000 2.722 87 S HA 0.146 4.616 4.470 0.001 0.000 0.292 87 S C 0.146 174.007 174.600 -1.231 0.000 1.135 87 S CA -0.719 56.542 58.200 -1.566 0.000 1.003 87 S CB 1.707 63.724 63.200 -1.972 0.000 1.067 87 S HN 0.428 nan 8.310 nan 0.000 0.546 88 Q N -0.038 119.284 119.800 -0.796 0.000 2.411 88 Q HA -0.246 4.095 4.340 0.001 0.000 0.305 88 Q C -0.681 175.122 176.000 -0.327 0.000 1.273 88 Q CA 0.595 56.134 55.803 -0.441 0.000 0.895 88 Q CB -1.298 27.254 28.738 -0.310 0.000 1.198 88 Q HN 0.505 nan 8.270 nan 0.000 0.470 89 Q N 1.022 120.600 119.800 -0.370 0.000 2.235 89 Q HA 0.368 4.708 4.340 0.001 0.000 0.250 89 Q C -1.995 173.777 176.000 -0.380 0.000 0.909 89 Q CA -1.948 53.629 55.803 -0.377 0.000 0.910 89 Q CB 0.991 29.490 28.738 -0.399 0.000 1.223 89 Q HN 0.133 nan 8.270 nan 0.000 0.432 90 P HA -0.082 nan 4.420 nan 0.000 0.269 90 P C 0.426 177.449 177.300 -0.462 0.000 1.215 90 P CA 0.179 63.032 63.100 -0.411 0.000 0.780 90 P CB 0.712 32.144 31.700 -0.448 0.000 0.898 91 G N 2.427 111.096 108.800 -0.217 0.000 2.505 91 G HA2 -0.268 3.693 3.960 0.001 0.000 0.220 91 G HA3 -0.268 3.693 3.960 0.001 0.000 0.220 91 G C 1.371 176.201 174.900 -0.117 0.000 1.145 91 G CA 0.593 45.611 45.100 -0.136 0.000 0.761 91 G HN 0.773 nan 8.290 nan 0.000 0.571 92 W N -0.177 121.074 121.300 -0.083 0.000 2.392 92 W HA 0.080 4.740 4.660 0.001 0.000 0.279 92 W C 2.035 178.502 176.519 -0.086 0.000 1.225 92 W CA 0.954 58.250 57.345 -0.081 0.000 1.233 92 W CB -0.732 28.675 29.460 -0.087 0.000 1.122 92 W HN 0.300 nan 8.180 nan 0.000 0.561 93 M N 1.315 120.390 119.600 -0.874 0.000 2.388 93 M HA -0.068 4.413 4.480 0.001 0.000 0.265 93 M C 2.156 178.226 176.300 -0.383 0.000 1.088 93 M CA 1.352 56.173 55.300 -0.798 0.000 1.134 93 M CB -0.207 31.668 32.600 -1.209 0.000 1.384 93 M HN -0.045 nan 8.290 nan 0.000 0.447 94 Q N -0.230 119.373 119.800 -0.328 0.000 2.437 94 Q HA -0.074 4.266 4.340 0.001 0.000 0.210 94 Q C 1.387 177.309 176.000 -0.130 0.000 0.972 94 Q CA 1.445 57.121 55.803 -0.212 0.000 0.903 94 Q CB 0.080 28.705 28.738 -0.189 0.000 0.967 94 Q HN 0.634 nan 8.270 nan 0.000 0.486 95 S N -1.188 114.457 115.700 -0.091 0.000 2.559 95 S HA 0.242 4.712 4.470 0.001 0.000 0.226 95 S C 0.380 174.966 174.600 -0.023 0.000 1.000 95 S CA -0.437 57.738 58.200 -0.041 0.000 0.948 95 S CB 0.274 63.471 63.200 -0.006 0.000 0.870 95 S HN 0.077 nan 8.310 nan 0.000 0.497 96 L N 2.176 123.377 121.223 -0.036 0.000 2.307 96 L HA 0.633 4.973 4.340 0.001 0.000 0.282 96 L C -0.011 176.832 176.870 -0.045 0.000 1.051 96 L CA -0.348 54.484 54.840 -0.012 0.000 0.804 96 L CB 1.628 43.703 42.059 0.027 0.000 1.197 96 L HN 0.169 nan 8.230 nan 0.000 0.431 97 S N 0.185 115.867 115.700 -0.030 0.000 2.851 97 S HA 0.804 5.274 4.470 0.001 0.000 0.313 97 S C 0.189 174.772 174.600 -0.028 0.000 1.163 97 S CA -0.080 58.093 58.200 -0.045 0.000 0.850 97 S CB 1.423 64.597 63.200 -0.043 0.000 1.245 97 S HN 1.031 nan 8.310 nan 0.000 0.558 98 G N 1.915 110.697 108.800 -0.030 0.000 2.566 98 G HA2 -0.320 3.640 3.960 0.001 0.000 0.308 98 G HA3 -0.320 3.640 3.960 0.001 0.000 0.308 98 G C 1.002 175.901 174.900 -0.002 0.000 1.317 98 G CA 0.826 45.917 45.100 -0.014 0.000 0.930 98 G HN 1.612 nan 8.290 nan 0.000 0.547 99 S N -1.847 113.859 115.700 0.010 0.000 2.465 99 S HA -0.110 4.360 4.470 0.001 0.000 0.241 99 S C 2.194 176.810 174.600 0.028 0.000 1.000 99 S CA 2.471 60.684 58.200 0.022 0.000 0.964 99 S CB -0.377 62.837 63.200 0.022 0.000 0.763 99 S HN 1.398 nan 8.310 nan 0.000 0.512 100 T N 1.178 115.747 114.554 0.024 0.000 2.851 100 T HA 0.080 4.431 4.350 0.001 0.000 0.262 100 T C 1.598 176.329 174.700 0.051 0.000 1.043 100 T CA 1.068 63.191 62.100 0.037 0.000 1.140 100 T CB -0.530 68.358 68.868 0.034 0.000 0.872 100 T HN 0.338 nan 8.240 nan 0.000 0.446 101 L N 1.737 122.977 121.223 0.029 0.000 1.994 101 L HA 0.116 4.457 4.340 0.001 0.000 0.208 101 L C 2.521 179.412 176.870 0.035 0.000 1.071 101 L CA 2.054 56.904 54.840 0.017 0.000 0.745 101 L CB -0.960 41.072 42.059 -0.044 0.000 0.892 101 L HN 0.145 nan 8.230 nan 0.000 0.431 102 R N -0.341 120.178 120.500 0.031 0.000 2.133 102 R HA -0.254 4.086 4.340 0.001 0.000 0.247 102 R C 2.331 178.683 176.300 0.086 0.000 1.151 102 R CA 2.062 58.201 56.100 0.065 0.000 0.971 102 R CB -0.744 29.597 30.300 0.068 0.000 0.866 102 R HN 0.589 nan 8.270 nan 0.000 0.447 103 Q N -0.447 119.399 119.800 0.077 0.000 2.083 103 Q HA 0.112 4.453 4.340 0.001 0.000 0.198 103 Q C 1.884 177.955 176.000 0.117 0.000 0.969 103 Q CA 2.012 57.866 55.803 0.086 0.000 0.838 103 Q CB -0.457 28.322 28.738 0.067 0.000 0.900 103 Q HN 0.388 nan 8.270 nan 0.000 0.436 104 A N 0.610 123.510 122.820 0.134 0.000 1.902 104 A HA -0.187 4.134 4.320 0.001 0.000 0.217 104 A C 2.170 179.886 177.584 0.220 0.000 1.181 104 A CA 1.742 53.903 52.037 0.206 0.000 0.623 104 A CB -0.758 18.396 19.000 0.258 0.000 0.818 104 A HN 0.603 nan 8.150 nan 0.000 0.443 105 M N -0.356 119.339 119.600 0.157 0.000 2.080 105 M HA -0.142 4.339 4.480 0.001 0.000 0.260 105 M C 1.961 178.378 176.300 0.194 0.000 1.068 105 M CA 1.974 57.378 55.300 0.173 0.000 1.109 105 M CB -0.353 32.335 32.600 0.147 0.000 1.342 105 M HN 0.431 nan 8.290 nan 0.000 0.405 106 I N 0.500 121.161 120.570 0.152 0.000 2.226 106 I HA -0.330 3.840 4.170 0.001 0.000 0.245 106 I C 1.918 178.112 176.117 0.129 0.000 1.100 106 I CA 1.343 62.712 61.300 0.116 0.000 1.374 106 I CB -0.793 37.263 38.000 0.093 0.000 1.057 106 I HN 0.343 nan 8.210 nan 0.000 0.413 107 D N -0.129 120.378 120.400 0.178 0.000 2.084 107 D HA -0.249 4.391 4.640 0.001 0.000 0.194 107 D C 2.003 178.493 176.300 0.317 0.000 0.990 107 D CA 1.638 55.772 54.000 0.222 0.000 0.826 107 D CB -0.555 40.388 40.800 0.238 0.000 0.971 107 D HN 0.383 nan 8.370 nan 0.000 0.453 108 H N 0.987 120.231 119.070 0.291 0.000 2.321 108 H HA -0.109 4.448 4.556 0.001 0.000 0.295 108 H C 2.224 177.626 175.328 0.124 0.000 1.102 108 H CA 1.510 57.769 56.048 0.352 0.000 1.266 108 H CB -0.522 29.412 29.762 0.286 0.000 1.363 108 H HN 0.102 nan 8.280 nan 0.000 0.492 109 I N 0.132 120.707 120.570 0.009 0.000 2.127 109 I HA -0.349 3.822 4.170 0.001 0.000 0.241 109 I C 2.193 178.170 176.117 -0.233 0.000 1.075 109 I CA 1.514 62.701 61.300 -0.188 0.000 1.334 109 I CB -0.392 37.539 38.000 -0.114 0.000 1.040 109 I HN 0.396 nan 8.210 nan 0.000 0.405 110 N N 1.102 119.734 118.700 -0.114 0.000 2.104 110 N HA -0.139 4.602 4.740 0.001 0.000 0.190 110 N C 1.861 177.255 175.510 -0.193 0.000 1.024 110 N CA 1.719 54.699 53.050 -0.116 0.000 0.853 110 N CB -0.681 37.787 38.487 -0.031 0.000 1.008 110 N HN 0.470 nan 8.380 nan 0.000 0.424 111 G N 1.251 109.892 108.800 -0.265 0.000 2.453 111 G HA2 -0.173 3.788 3.960 0.001 0.000 0.215 111 G HA3 -0.173 3.788 3.960 0.001 0.000 0.215 111 G C 1.774 176.339 174.900 -0.558 0.000 1.201 111 G CA 0.953 45.667 45.100 -0.643 0.000 0.784 111 G HN 0.186 nan 8.290 nan 0.000 0.545 112 V N 1.027 120.656 119.914 -0.474 0.000 2.295 112 V HA -0.183 3.937 4.120 0.001 0.000 0.246 112 V C 2.906 178.909 176.094 -0.151 0.000 1.049 112 V CA 2.088 64.291 62.300 -0.162 0.000 1.024 112 V CB -0.465 31.253 31.823 -0.175 0.000 0.648 112 V HN 0.340 nan 8.190 nan 0.000 0.447 113 M N 0.205 119.613 119.600 -0.321 0.000 2.229 113 M HA -0.046 4.434 4.480 0.001 0.000 0.264 113 M C 2.229 178.459 176.300 -0.117 0.000 1.063 113 M CA 1.769 56.932 55.300 -0.228 0.000 1.114 113 M CB -0.734 31.630 32.600 -0.393 0.000 1.387 113 M HN 0.513 nan 8.290 nan 0.000 0.420 114 G N -0.774 107.918 108.800 -0.181 0.000 2.433 114 G HA2 -0.289 3.672 3.960 0.001 0.000 0.216 114 G HA3 -0.289 3.672 3.960 0.001 0.000 0.216 114 G C 1.152 175.921 174.900 -0.219 0.000 1.186 114 G CA 1.319 46.323 45.100 -0.160 0.000 0.779 114 G HN 0.457 nan 8.290 nan 0.000 0.543 115 H N -0.150 118.629 119.070 -0.485 0.000 2.319 115 H HA -0.119 4.437 4.556 0.001 0.000 0.297 115 H C 1.492 176.393 175.328 -0.712 0.000 1.097 115 H CA 1.644 57.211 56.048 -0.802 0.000 1.285 115 H CB -0.235 28.482 29.762 -1.742 0.000 1.368 115 H HN 0.416 nan 8.280 nan 0.000 0.495 116 Y N 0.583 120.663 120.300 -0.367 0.000 2.493 116 Y HA 0.187 4.737 4.550 0.001 0.000 0.275 116 Y C 0.742 176.545 175.900 -0.161 0.000 1.183 116 Y CA -0.315 57.587 58.100 -0.329 0.000 1.258 116 Y CB -0.246 38.155 38.460 -0.098 0.000 1.108 116 Y HN 0.050 nan 8.280 nan 0.000 0.521 117 K N 0.902 121.281 120.400 -0.036 0.000 2.473 117 K HA 0.046 4.367 4.320 0.001 0.000 0.277 117 K C 1.264 177.863 176.600 -0.001 0.000 1.052 117 K CA 1.292 57.580 56.287 0.001 0.000 1.114 117 K CB -0.311 32.160 32.500 -0.049 0.000 0.869 117 K HN 0.650 nan 8.250 nan 0.000 0.481 118 G N 3.799 112.626 108.800 0.046 0.000 2.184 118 G HA2 -0.307 3.654 3.960 0.001 0.000 0.264 118 G HA3 -0.307 3.654 3.960 0.001 0.000 0.264 118 G C 0.555 175.475 174.900 0.033 0.000 0.975 118 G CA 0.734 45.854 45.100 0.034 0.000 0.642 118 G HN 0.737 nan 8.290 nan 0.000 0.536 119 K N -0.597 119.817 120.400 0.022 0.000 2.360 119 K HA 0.353 4.674 4.320 0.001 0.000 0.196 119 K C 0.531 177.144 176.600 0.021 0.000 1.049 119 K CA 0.006 56.309 56.287 0.028 0.000 1.049 119 K CB 0.840 33.252 32.500 -0.147 0.000 0.881 119 K HN 0.328 nan 8.250 nan 0.000 0.542 120 I N 1.198 121.744 120.570 -0.040 0.000 2.339 120 I HA 0.179 4.349 4.170 0.001 0.000 0.290 120 I C 1.145 177.184 176.117 -0.129 0.000 0.994 120 I CA -0.236 60.942 61.300 -0.202 0.000 1.191 120 I CB 1.039 38.716 38.000 -0.539 0.000 1.343 120 I HN -0.009 nan 8.210 nan 0.000 0.458 121 A N 6.236 128.970 122.820 -0.144 0.000 1.898 121 A HA -0.035 4.285 4.320 0.001 0.000 0.216 121 A C 0.830 178.378 177.584 -0.060 0.000 1.181 121 A CA 1.108 53.096 52.037 -0.081 0.000 0.620 121 A CB 0.063 19.000 19.000 -0.105 0.000 0.819 121 A HN 0.780 nan 8.150 nan 0.000 0.442 122 Q N -2.844 116.870 119.800 -0.143 0.000 2.331 122 Q HA 0.452 4.792 4.340 0.001 0.000 0.272 122 Q C -2.057 173.857 176.000 -0.144 0.000 1.062 122 Q CA -0.280 55.489 55.803 -0.057 0.000 0.806 122 Q CB 2.099 30.824 28.738 -0.022 0.000 1.312 122 Q HN 0.551 nan 8.270 nan 0.000 0.431 123 W N 1.676 122.992 121.300 0.028 0.000 2.532 123 W HA 0.303 4.964 4.660 0.001 0.000 0.321 123 W C -0.585 175.938 176.519 0.007 0.000 1.037 123 W CA -0.471 56.879 57.345 0.008 0.000 1.220 123 W CB 1.607 31.063 29.460 -0.007 0.000 1.361 123 W HN 0.452 nan 8.180 nan 0.000 0.468 124 D N 3.646 124.250 120.400 0.340 0.000 2.470 124 D HA 0.050 4.690 4.640 0.001 0.000 0.226 124 D C 1.218 177.580 176.300 0.103 0.000 1.196 124 D CA 0.248 54.344 54.000 0.160 0.000 0.979 124 D CB 1.143 42.012 40.800 0.115 0.000 1.059 124 D HN 0.121 nan 8.370 nan 0.000 0.515 125 V N 1.714 121.623 119.914 -0.008 0.000 2.295 125 V HA -0.147 3.974 4.120 0.001 0.000 0.246 125 V C 1.109 177.069 176.094 -0.222 0.000 1.049 125 V CA 1.115 63.261 62.300 -0.255 0.000 1.024 125 V CB -0.009 31.357 31.823 -0.761 0.000 0.648 125 V HN 0.258 nan 8.190 nan 0.000 0.447 126 V N 0.470 120.276 119.914 -0.179 0.000 2.588 126 V HA 0.503 4.623 4.120 0.001 0.000 0.304 126 V C -0.832 175.206 176.094 -0.093 0.000 1.042 126 V CA -0.748 61.556 62.300 0.007 0.000 0.877 126 V CB 1.809 33.712 31.823 0.133 0.000 0.996 126 V HN 0.460 nan 8.190 nan 0.000 0.425 127 N N 2.260 120.916 118.700 -0.074 0.000 2.354 127 N HA 0.402 5.143 4.740 0.001 0.000 0.287 127 N C -0.416 175.109 175.510 0.026 0.000 1.016 127 N CA -0.443 52.412 53.050 -0.325 0.000 0.871 127 N CB 1.380 39.377 38.487 -0.818 0.000 1.299 127 N HN 0.747 nan 8.380 nan 0.000 0.482 128 E N 1.360 121.566 120.200 0.010 0.000 2.246 128 E HA -0.226 4.124 4.350 0.001 0.000 0.211 128 E C -0.356 176.559 176.600 0.525 0.000 1.278 128 E CA 0.619 57.216 56.400 0.328 0.000 0.694 128 E CB -1.301 28.762 29.700 0.604 0.000 1.166 128 E HN 0.597 nan 8.360 nan 0.000 0.370 129 A N 0.173 123.375 122.820 0.638 0.000 2.275 129 A HA 0.304 4.624 4.320 0.001 0.000 0.212 129 A C 0.049 177.775 177.584 0.237 0.000 1.201 129 A CA 0.251 52.626 52.037 0.564 0.000 0.843 129 A CB 0.279 19.596 19.000 0.529 0.000 0.873 129 A HN 0.225 nan 8.150 nan 0.000 0.492 130 F N -0.001 120.073 119.950 0.206 0.000 2.522 130 F HA 0.474 5.002 4.527 0.001 0.000 0.324 130 F C 0.940 176.769 175.800 0.049 0.000 1.077 130 F CA -0.770 57.289 58.000 0.099 0.000 0.944 130 F CB 1.816 40.854 39.000 0.064 0.000 1.175 130 F HN 0.080 nan 8.300 nan 0.000 0.468 131 S N -0.159 115.643 115.700 0.169 0.000 2.669 131 S HA 0.330 4.800 4.470 0.001 0.000 0.270 131 S C -0.185 174.490 174.600 0.125 0.000 1.225 131 S CA -0.747 57.519 58.200 0.109 0.000 0.991 131 S CB 1.141 64.375 63.200 0.057 0.000 0.987 131 S HN 0.568 nan 8.310 nan 0.000 0.552 132 D N 0.193 120.662 120.400 0.115 0.000 2.463 132 D HA 0.104 4.744 4.640 0.001 0.000 0.224 132 D C 0.370 176.707 176.300 0.061 0.000 1.174 132 D CA 0.203 54.276 54.000 0.122 0.000 0.829 132 D CB -0.021 40.892 40.800 0.189 0.000 0.993 132 D HN 0.772 nan 8.370 nan 0.000 0.497 133 D N -0.231 120.197 120.400 0.046 0.000 2.371 133 D HA -0.004 4.636 4.640 0.001 0.000 0.221 133 D C 1.646 177.938 176.300 -0.012 0.000 0.986 133 D CA 0.755 54.764 54.000 0.015 0.000 0.899 133 D CB -0.157 40.653 40.800 0.016 0.000 0.902 133 D HN 0.145 nan 8.370 nan 0.000 0.530 134 G N -0.330 108.460 108.800 -0.016 0.000 2.159 134 G HA2 -0.334 3.626 3.960 0.001 0.000 0.256 134 G HA3 -0.334 3.626 3.960 0.001 0.000 0.256 134 G C 1.080 175.963 174.900 -0.028 0.000 0.977 134 G CA 0.802 45.867 45.100 -0.058 0.000 0.652 134 G HN 0.737 nan 8.290 nan 0.000 0.531 135 S N -0.941 114.763 115.700 0.007 0.000 2.502 135 S HA 0.446 4.917 4.470 0.001 0.000 0.215 135 S C 2.097 176.725 174.600 0.046 0.000 1.009 135 S CA 1.317 59.526 58.200 0.016 0.000 0.908 135 S CB 0.502 63.712 63.200 0.016 0.000 0.801 135 S HN 2.295 nan 8.310 nan 0.000 0.505 136 G N 0.633 109.485 108.800 0.086 0.000 2.147 136 G HA2 -0.041 3.920 3.960 0.001 0.000 0.244 136 G HA3 -0.041 3.920 3.960 0.001 0.000 0.244 136 G C 0.338 175.382 174.900 0.240 0.000 1.005 136 G CA -0.055 45.137 45.100 0.155 0.000 0.713 136 G HN 1.081 nan 8.290 nan 0.000 0.515 137 G N -1.111 107.782 108.800 0.154 0.000 2.521 137 G HA2 0.656 4.616 3.960 0.001 0.000 0.323 137 G HA3 0.656 4.616 3.960 0.001 0.000 0.323 137 G C 0.178 175.023 174.900 -0.093 0.000 1.211 137 G CA -0.971 44.161 45.100 0.054 0.000 0.979 137 G HN 0.320 nan 8.290 nan 0.000 0.490 138 R N 0.181 120.513 120.500 -0.280 0.000 2.623 138 R HA 0.092 4.433 4.340 0.001 0.000 0.271 138 R C 0.782 177.000 176.300 -0.137 0.000 1.043 138 R CA -0.293 55.576 56.100 -0.384 0.000 1.083 138 R CB 0.508 30.667 30.300 -0.235 0.000 0.974 138 R HN 0.636 nan 8.270 nan 0.000 0.436 139 R N 1.350 121.799 120.500 -0.085 0.000 2.643 139 R HA -0.057 4.284 4.340 0.001 0.000 0.270 139 R C -0.584 175.683 176.300 -0.056 0.000 1.061 139 R CA -0.150 55.923 56.100 -0.045 0.000 1.107 139 R CB 0.426 30.694 30.300 -0.053 0.000 0.999 139 R HN 0.476 nan 8.270 nan 0.000 0.460 140 D N 2.149 122.508 120.400 -0.068 0.000 2.393 140 D HA 0.112 4.753 4.640 0.001 0.000 0.232 140 D C -1.140 175.100 176.300 -0.101 0.000 1.192 140 D CA 0.061 54.019 54.000 -0.070 0.000 0.882 140 D CB 0.546 41.315 40.800 -0.052 0.000 1.038 140 D HN 0.528 nan 8.370 nan 0.000 0.499 141 S N 2.551 118.176 115.700 -0.124 0.000 2.618 141 S HA 0.293 4.763 4.470 0.001 0.000 0.277 141 S C 1.198 175.680 174.600 -0.198 0.000 1.138 141 S CA -0.915 57.195 58.200 -0.150 0.000 0.844 141 S CB 1.191 64.302 63.200 -0.148 0.000 1.127 141 S HN 0.387 nan 8.310 nan 0.000 0.474 142 N N 1.334 119.922 118.700 -0.186 0.000 2.137 142 N HA -0.165 4.575 4.740 0.001 0.000 0.190 142 N C 1.515 176.846 175.510 -0.298 0.000 1.017 142 N CA 1.488 54.420 53.050 -0.196 0.000 0.859 142 N CB -0.922 37.465 38.487 -0.167 0.000 1.002 142 N HN 0.668 nan 8.380 nan 0.000 0.428 143 L N 0.054 121.001 121.223 -0.460 0.000 2.027 143 L HA -0.126 4.214 4.340 0.001 0.000 0.206 143 L C 2.861 179.064 176.870 -1.112 0.000 1.074 143 L CA 1.253 55.594 54.840 -0.831 0.000 0.745 143 L CB -0.491 40.812 42.059 -1.259 0.000 0.898 143 L HN 0.194 nan 8.230 nan 0.000 0.433 144 Q N 0.526 119.801 119.800 -0.875 0.000 2.170 144 Q HA -0.174 4.167 4.340 0.001 0.000 0.203 144 Q C 2.133 178.017 176.000 -0.194 0.000 0.976 144 Q CA 1.565 57.106 55.803 -0.438 0.000 0.858 144 Q CB -0.059 28.631 28.738 -0.080 0.000 0.907 144 Q HN 0.312 nan 8.270 nan 0.000 0.433 145 R N -0.622 119.758 120.500 -0.201 0.000 2.189 145 R HA -0.024 4.316 4.340 0.001 0.000 0.218 145 R C 2.115 178.369 176.300 -0.077 0.000 1.074 145 R CA 1.401 57.438 56.100 -0.104 0.000 0.991 145 R CB -0.445 29.797 30.300 -0.097 0.000 0.883 145 R HN 0.478 nan 8.270 nan 0.000 0.457 146 T N -1.881 112.602 114.554 -0.118 0.000 3.051 146 T HA 0.085 4.435 4.350 0.001 0.000 0.269 146 T C 0.800 175.518 174.700 0.029 0.000 1.127 146 T CA 0.748 62.820 62.100 -0.047 0.000 1.107 146 T CB 0.236 69.070 68.868 -0.055 0.000 0.898 146 T HN 0.371 nan 8.240 nan 0.000 0.517 147 G N 0.478 109.314 108.800 0.060 0.000 2.397 147 G HA2 0.039 3.999 3.960 0.001 0.000 0.453 147 G HA3 0.039 3.999 3.960 0.001 0.000 0.453 147 G C -0.123 174.946 174.900 0.282 0.000 1.579 147 G CA -0.215 44.966 45.100 0.135 0.000 0.906 147 G HN 0.111 nan 8.290 nan 0.000 0.675 148 N N 0.565 119.397 118.700 0.220 0.000 2.258 148 N HA -0.144 4.596 4.740 0.001 0.000 0.187 148 N C 1.815 177.464 175.510 0.231 0.000 1.012 148 N CA 2.103 55.298 53.050 0.242 0.000 0.870 148 N CB 0.155 38.716 38.487 0.123 0.000 0.977 148 N HN 0.668 nan 8.380 nan 0.000 0.434 149 D N -0.327 120.190 120.400 0.195 0.000 2.338 149 D HA -0.123 4.517 4.640 0.001 0.000 0.239 149 D C 1.646 178.051 176.300 0.175 0.000 1.095 149 D CA -0.028 54.052 54.000 0.133 0.000 0.888 149 D CB -0.928 39.926 40.800 0.090 0.000 0.899 149 D HN 0.601 nan 8.370 nan 0.000 0.525 150 W N 1.187 122.539 121.300 0.088 0.000 2.363 150 W HA -0.083 4.578 4.660 0.001 0.000 0.296 150 W C 1.552 178.161 176.519 0.150 0.000 1.212 150 W CA 0.090 57.493 57.345 0.096 0.000 1.260 150 W CB -1.078 28.432 29.460 0.083 0.000 1.131 150 W HN -0.084 nan 8.180 nan 0.000 0.530 151 I N 1.600 121.840 120.570 -0.549 0.000 2.179 151 I HA -0.318 3.852 4.170 0.001 0.000 0.242 151 I C 2.794 178.989 176.117 0.130 0.000 1.088 151 I CA 2.379 63.448 61.300 -0.385 0.000 1.357 151 I CB -0.782 37.018 38.000 -0.334 0.000 1.051 151 I HN 0.050 nan 8.210 nan 0.000 0.409 152 E N 1.272 121.474 120.200 0.003 0.000 2.085 152 E HA -0.203 4.147 4.350 0.001 0.000 0.194 152 E C 2.263 178.842 176.600 -0.035 0.000 0.994 152 E CA 1.746 58.009 56.400 -0.228 0.000 0.801 152 E CB 0.061 29.540 29.700 -0.369 0.000 0.743 152 E HN 0.278 nan 8.360 nan 0.000 0.453 153 V N 1.474 121.407 119.914 0.032 0.000 2.295 153 V HA -0.273 3.847 4.120 0.001 0.000 0.246 153 V C 2.584 178.722 176.094 0.073 0.000 1.049 153 V CA 1.817 64.154 62.300 0.062 0.000 1.024 153 V CB -0.966 30.921 31.823 0.108 0.000 0.648 153 V HN 0.496 nan 8.190 nan 0.000 0.447 154 A N -0.306 122.569 122.820 0.092 0.000 1.892 154 A HA -0.237 4.083 4.320 0.001 0.000 0.218 154 A C 2.055 179.592 177.584 -0.078 0.000 1.188 154 A CA 2.163 54.206 52.037 0.011 0.000 0.631 154 A CB -0.804 18.186 19.000 -0.017 0.000 0.822 154 A HN 0.472 nan 8.150 nan 0.000 0.447 155 F N -0.350 119.600 119.950 -0.001 0.000 2.186 155 F HA -0.085 4.443 4.527 0.001 0.000 0.299 155 F C 2.609 178.392 175.800 -0.029 0.000 1.090 155 F CA 1.663 59.660 58.000 -0.004 0.000 1.307 155 F CB -0.232 38.762 39.000 -0.009 0.000 1.019 155 F HN 0.106 nan 8.300 nan 0.000 0.489 156 R N -0.578 119.994 120.500 0.119 0.000 2.075 156 R HA -0.101 4.239 4.340 0.001 0.000 0.232 156 R C 2.097 178.416 176.300 0.032 0.000 1.126 156 R CA 1.834 57.964 56.100 0.050 0.000 0.963 156 R CB -0.945 29.361 30.300 0.009 0.000 0.858 156 R HN 0.209 nan 8.270 nan 0.000 0.435 157 T N 1.124 115.690 114.554 0.020 0.000 2.652 157 T HA -0.179 4.171 4.350 0.001 0.000 0.267 157 T C 2.017 176.699 174.700 -0.028 0.000 1.039 157 T CA 1.521 63.620 62.100 -0.002 0.000 1.153 157 T CB -0.379 68.488 68.868 -0.002 0.000 0.863 157 T HN 0.376 nan 8.240 nan 0.000 0.428 158 A N 1.947 124.734 122.820 -0.054 0.000 1.892 158 A HA -0.213 4.108 4.320 0.001 0.000 0.218 158 A C 2.261 179.832 177.584 -0.022 0.000 1.188 158 A CA 2.352 54.334 52.037 -0.091 0.000 0.631 158 A CB -0.694 18.228 19.000 -0.130 0.000 0.822 158 A HN 0.360 nan 8.150 nan 0.000 0.447 159 R N 0.082 120.603 120.500 0.034 0.000 2.117 159 R HA -0.116 4.225 4.340 0.001 0.000 0.243 159 R C 2.094 178.409 176.300 0.026 0.000 1.143 159 R CA 2.090 58.221 56.100 0.052 0.000 0.968 159 R CB -0.807 29.533 30.300 0.066 0.000 0.863 159 R HN 0.449 nan 8.270 nan 0.000 0.444 160 A N 0.085 122.911 122.820 0.010 0.000 1.855 160 A HA 0.042 4.363 4.320 0.001 0.000 0.215 160 A C 2.416 179.994 177.584 -0.009 0.000 1.191 160 A CA 1.640 53.678 52.037 0.002 0.000 0.613 160 A CB -1.265 17.735 19.000 0.000 0.000 0.829 160 A HN 0.475 nan 8.150 nan 0.000 0.442 161 A N -1.004 121.798 122.820 -0.030 0.000 1.892 161 A HA -0.108 4.213 4.320 0.001 0.000 0.218 161 A C 1.056 178.620 177.584 -0.033 0.000 1.188 161 A CA 2.117 54.124 52.037 -0.051 0.000 0.631 161 A CB -0.283 18.656 19.000 -0.103 0.000 0.822 161 A HN 0.483 nan 8.150 nan 0.000 0.447 162 D N -2.730 117.662 120.400 -0.013 0.000 2.328 162 D HA 0.247 4.887 4.640 0.001 0.000 0.243 162 D C -2.274 174.058 176.300 0.055 0.000 1.324 162 D CA -1.494 52.522 54.000 0.027 0.000 0.966 162 D CB 1.260 42.097 40.800 0.062 0.000 1.324 162 D HN 0.037 nan 8.370 nan 0.000 0.549 163 P HA -0.022 nan 4.420 nan 0.000 0.230 163 P C 0.984 178.324 177.300 0.067 0.000 1.158 163 P CA 0.353 63.485 63.100 0.054 0.000 0.769 163 P CB 0.417 32.140 31.700 0.038 0.000 0.807 164 A N 0.141 123.003 122.820 0.069 0.000 2.016 164 A HA 0.309 4.629 4.320 0.001 0.000 0.217 164 A C 1.519 179.158 177.584 0.093 0.000 1.162 164 A CA 0.593 52.672 52.037 0.070 0.000 0.662 164 A CB -0.847 18.188 19.000 0.058 0.000 0.812 164 A HN 0.303 nan 8.150 nan 0.000 0.450 165 A N 0.435 123.335 122.820 0.134 0.000 2.354 165 A HA 0.485 4.805 4.320 0.001 0.000 0.269 165 A C 0.065 177.754 177.584 0.175 0.000 1.109 165 A CA -0.469 51.674 52.037 0.177 0.000 0.800 165 A CB 0.146 19.352 19.000 0.343 0.000 1.045 165 A HN 0.380 nan 8.150 nan 0.000 0.489 166 K N 1.885 122.377 120.400 0.154 0.000 2.339 166 K HA 0.327 4.648 4.320 0.001 0.000 0.286 166 K C -0.947 175.786 176.600 0.222 0.000 1.050 166 K CA 0.178 56.562 56.287 0.161 0.000 0.956 166 K CB 0.551 33.129 32.500 0.130 0.000 0.990 166 K HN 0.584 nan 8.250 nan 0.000 0.475 167 L N 4.112 125.493 121.223 0.262 0.000 2.264 167 L HA 0.325 4.666 4.340 0.001 0.000 0.289 167 L C -0.319 176.821 176.870 0.451 0.000 1.044 167 L CA -0.879 54.182 54.840 0.369 0.000 0.807 167 L CB 0.872 43.205 42.059 0.457 0.000 1.192 167 L HN 0.646 nan 8.230 nan 0.000 0.425 168 c N 1.985 120.835 118.600 0.417 0.000 2.529 168 c HA 0.476 5.046 4.570 0.001 0.000 0.329 168 c C -0.242 174.133 174.090 0.476 0.000 1.194 168 c CA -0.916 55.635 56.329 0.369 0.000 1.779 168 c CB 1.544 44.166 42.510 0.187 0.000 2.322 168 c HN 0.638 nan 8.230 nan 0.000 0.500 169 Y N 2.489 122.978 120.300 0.315 0.000 2.331 169 Y HA 0.555 5.106 4.550 0.001 0.000 0.338 169 Y C -0.245 175.660 175.900 0.007 0.000 0.992 169 Y CA -0.246 58.018 58.100 0.274 0.000 1.121 169 Y CB 0.549 39.105 38.460 0.160 0.000 1.184 169 Y HN 0.788 nan 8.280 nan 0.000 0.469 170 N N 4.027 122.225 118.700 -0.836 0.000 2.269 170 N HA 0.472 5.213 4.740 0.001 0.000 0.304 170 N C -2.049 172.995 175.510 -0.776 0.000 1.072 170 N CA -0.318 52.348 53.050 -0.641 0.000 0.802 170 N CB 1.429 39.710 38.487 -0.344 0.000 1.348 170 N HN 0.788 nan 8.380 nan 0.000 0.484 171 D N -0.033 120.070 120.400 -0.495 0.000 2.710 171 D HA 0.206 4.846 4.640 0.001 0.000 0.276 171 D C -1.446 174.755 176.300 -0.165 0.000 1.267 171 D CA -0.312 53.508 54.000 -0.301 0.000 0.772 171 D CB 0.674 41.331 40.800 -0.237 0.000 1.299 171 D HN 0.405 nan 8.370 nan 0.000 0.421 172 Y N -0.362 119.907 120.300 -0.052 0.000 2.631 172 Y HA 0.526 5.077 4.550 0.001 0.000 0.328 172 Y C 0.829 176.738 175.900 0.015 0.000 1.118 172 Y CA -0.859 57.220 58.100 -0.035 0.000 1.206 172 Y CB 0.355 38.853 38.460 0.062 0.000 1.337 172 Y HN 0.538 nan 8.280 nan 0.000 0.515 173 N N 0.585 119.376 118.700 0.151 0.000 2.710 173 N HA -0.234 4.507 4.740 0.001 0.000 0.249 173 N C -0.103 175.394 175.510 -0.022 0.000 1.059 173 N CA 0.960 54.039 53.050 0.048 0.000 0.720 173 N CB -1.050 37.654 38.487 0.362 0.000 0.983 173 N HN 0.781 nan 8.380 nan 0.000 0.544 174 I N -3.947 116.607 120.570 -0.027 0.000 3.833 174 I HA 0.270 4.440 4.170 0.001 0.000 0.328 174 I C 0.733 177.011 176.117 0.269 0.000 1.554 174 I CA -0.421 60.923 61.300 0.073 0.000 1.116 174 I CB 0.558 38.540 38.000 -0.030 0.000 1.182 174 I HN -0.165 nan 8.210 nan 0.000 0.459 175 E N 1.135 121.392 120.200 0.095 0.000 2.102 175 E HA 0.072 4.423 4.350 0.001 0.000 0.190 175 E C 0.764 177.433 176.600 0.115 0.000 0.971 175 E CA 0.328 56.815 56.400 0.145 0.000 0.821 175 E CB 0.031 29.555 29.700 -0.293 0.000 0.777 175 E HN 0.363 nan 8.360 nan 0.000 0.460 176 N N 0.924 119.487 118.700 -0.228 0.000 2.420 176 N HA -0.087 4.654 4.740 0.001 0.000 0.262 176 N C 0.149 175.683 175.510 0.039 0.000 1.144 176 N CA 0.001 52.903 53.050 -0.247 0.000 0.952 176 N CB 0.276 38.287 38.487 -0.794 0.000 1.081 176 N HN 0.304 nan 8.380 nan 0.000 0.480 177 W N 3.604 124.912 121.300 0.013 0.000 2.364 177 W HA -0.193 4.467 4.660 0.001 0.000 0.281 177 W C 1.101 177.683 176.519 0.106 0.000 1.219 177 W CA 1.821 59.204 57.345 0.063 0.000 1.220 177 W CB 0.117 29.581 29.460 0.008 0.000 1.127 177 W HN 0.617 nan 8.180 nan 0.000 0.556 178 T N -2.975 111.658 114.554 0.131 0.000 3.148 178 T HA -0.097 4.254 4.350 0.001 0.000 0.253 178 T C 0.146 174.958 174.700 0.187 0.000 1.134 178 T CA -0.044 62.109 62.100 0.087 0.000 1.051 178 T CB -0.628 68.356 68.868 0.192 0.000 0.959 178 T HN -0.061 nan 8.240 nan 0.000 0.525 179 W N 1.222 122.454 121.300 -0.113 0.000 2.261 179 W HA 0.724 5.384 4.660 0.001 0.000 0.323 179 W C 1.481 177.923 176.519 -0.128 0.000 1.243 179 W CA -1.399 55.900 57.345 -0.076 0.000 1.210 179 W CB 0.525 29.982 29.460 -0.005 0.000 1.149 179 W HN 0.152 nan 8.180 nan 0.000 0.562 180 A N 2.955 125.813 122.820 0.064 0.000 1.933 180 A HA -0.220 4.100 4.320 0.001 0.000 0.218 180 A C 2.037 179.650 177.584 0.049 0.000 1.175 180 A CA 1.807 53.848 52.037 0.006 0.000 0.628 180 A CB -0.476 18.516 19.000 -0.013 0.000 0.814 180 A HN 0.718 nan 8.150 nan 0.000 0.444 181 K N -0.783 119.694 120.400 0.129 0.000 2.057 181 K HA -0.140 4.180 4.320 0.001 0.000 0.207 181 K C 2.022 178.631 176.600 0.015 0.000 1.049 181 K CA 1.888 58.245 56.287 0.117 0.000 0.931 181 K CB -0.342 32.273 32.500 0.192 0.000 0.714 181 K HN 0.454 nan 8.250 nan 0.000 0.440 182 T N 1.388 115.997 114.554 0.092 0.000 2.684 182 T HA -0.147 4.204 4.350 0.001 0.000 0.267 182 T C 1.800 176.502 174.700 0.002 0.000 1.036 182 T CA 1.206 63.365 62.100 0.098 0.000 1.148 182 T CB -0.174 68.769 68.868 0.125 0.000 0.863 182 T HN 0.272 nan 8.240 nan 0.000 0.436 183 Q N 0.510 120.215 119.800 -0.160 0.000 2.124 183 Q HA 0.003 4.344 4.340 0.001 0.000 0.202 183 Q C 2.737 178.696 176.000 -0.069 0.000 0.977 183 Q CA 1.661 57.341 55.803 -0.205 0.000 0.850 183 Q CB -1.102 27.483 28.738 -0.255 0.000 0.901 183 Q HN 0.625 nan 8.270 nan 0.000 0.429 184 G N 0.283 109.031 108.800 -0.086 0.000 2.418 184 G HA2 -0.176 3.785 3.960 0.001 0.000 0.217 184 G HA3 -0.176 3.785 3.960 0.001 0.000 0.217 184 G C 1.615 176.270 174.900 -0.408 0.000 1.158 184 G CA 1.001 46.058 45.100 -0.072 0.000 0.771 184 G HN 0.281 nan 8.290 nan 0.000 0.545 185 V N -0.141 119.346 119.914 -0.711 0.000 2.427 185 V HA -0.180 3.941 4.120 0.001 0.000 0.248 185 V C 2.272 178.253 176.094 -0.188 0.000 1.051 185 V CA 1.685 63.506 62.300 -0.798 0.000 1.048 185 V CB -0.699 30.811 31.823 -0.523 0.000 0.666 185 V HN 0.480 nan 8.190 nan 0.000 0.456 186 Y N 2.037 122.289 120.300 -0.080 0.000 2.145 186 Y HA -0.223 4.328 4.550 0.001 0.000 0.286 186 Y C 2.538 178.307 175.900 -0.218 0.000 1.145 186 Y CA 1.956 59.920 58.100 -0.226 0.000 1.148 186 Y CB -0.392 37.864 38.460 -0.340 0.000 0.981 186 Y HN 0.287 nan 8.280 nan 0.000 0.507 187 N N 0.227 118.816 118.700 -0.185 0.000 2.120 187 N HA -0.240 4.501 4.740 0.001 0.000 0.188 187 N C 2.071 177.415 175.510 -0.277 0.000 1.024 187 N CA 1.766 54.683 53.050 -0.221 0.000 0.852 187 N CB -0.585 37.866 38.487 -0.060 0.000 1.003 187 N HN 0.523 nan 8.380 nan 0.000 0.424 188 M N 0.881 120.301 119.600 -0.300 0.000 2.067 188 M HA -0.137 4.344 4.480 0.001 0.000 0.260 188 M C 1.760 177.631 176.300 -0.715 0.000 1.069 188 M CA 1.476 56.496 55.300 -0.466 0.000 1.117 188 M CB -0.029 32.275 32.600 -0.493 0.000 1.334 188 M HN -0.134 nan 8.290 nan 0.000 0.407 189 V N 0.610 120.163 119.914 -0.601 0.000 2.407 189 V HA -0.266 3.854 4.120 0.001 0.000 0.248 189 V C 2.586 178.504 176.094 -0.294 0.000 1.055 189 V CA 2.052 64.083 62.300 -0.448 0.000 1.049 189 V CB -1.085 30.638 31.823 -0.167 0.000 0.662 189 V HN 0.540 nan 8.190 nan 0.000 0.455 190 R N 0.229 120.491 120.500 -0.398 0.000 2.073 190 R HA -0.232 4.108 4.340 0.001 0.000 0.234 190 R C 2.159 178.367 176.300 -0.154 0.000 1.134 190 R CA 2.352 58.252 56.100 -0.333 0.000 0.952 190 R CB -0.518 29.491 30.300 -0.486 0.000 0.850 190 R HN 0.637 nan 8.270 nan 0.000 0.433 191 D N -0.280 120.044 120.400 -0.127 0.000 2.092 191 D HA -0.194 4.446 4.640 0.001 0.000 0.193 191 D C 1.795 178.183 176.300 0.146 0.000 0.994 191 D CA 1.373 55.378 54.000 0.008 0.000 0.828 191 D CB -0.182 40.639 40.800 0.035 0.000 0.963 191 D HN 0.115 nan 8.370 nan 0.000 0.450 192 F N 0.990 120.861 119.950 -0.132 0.000 2.091 192 F HA -0.120 4.408 4.527 0.001 0.000 0.299 192 F C 2.398 178.132 175.800 -0.111 0.000 1.103 192 F CA 0.990 58.908 58.000 -0.137 0.000 1.228 192 F CB -0.767 38.106 39.000 -0.212 0.000 0.984 192 F HN 0.025 nan 8.300 nan 0.000 0.477 193 K N 0.318 120.775 120.400 0.095 0.000 2.148 193 K HA -0.146 4.175 4.320 0.001 0.000 0.204 193 K C 2.022 178.628 176.600 0.009 0.000 1.050 193 K CA 1.044 57.346 56.287 0.026 0.000 0.942 193 K CB -0.442 32.055 32.500 -0.005 0.000 0.724 193 K HN 0.452 nan 8.250 nan 0.000 0.446 194 Q N -0.179 119.625 119.800 0.006 0.000 2.083 194 Q HA -0.051 4.289 4.340 0.001 0.000 0.198 194 Q C 1.937 177.939 176.000 0.002 0.000 0.969 194 Q CA 1.063 56.866 55.803 -0.001 0.000 0.838 194 Q CB 0.004 28.738 28.738 -0.006 0.000 0.900 194 Q HN 0.219 nan 8.270 nan 0.000 0.436 195 R N -0.658 119.847 120.500 0.009 0.000 2.275 195 R HA 0.050 4.391 4.340 0.001 0.000 0.199 195 R C 0.947 177.231 176.300 -0.027 0.000 0.989 195 R CA 0.664 56.758 56.100 -0.009 0.000 1.016 195 R CB 0.369 30.663 30.300 -0.011 0.000 0.918 195 R HN 0.387 nan 8.270 nan 0.000 0.473 196 G N 0.830 109.616 108.800 -0.024 0.000 2.131 196 G HA2 -0.228 3.733 3.960 0.001 0.000 0.223 196 G HA3 -0.228 3.733 3.960 0.001 0.000 0.223 196 G C 0.131 174.993 174.900 -0.064 0.000 0.990 196 G CA -0.169 44.912 45.100 -0.032 0.000 0.671 196 G HN 0.113 nan 8.290 nan 0.000 0.521 197 V N 2.604 122.446 119.914 -0.120 0.000 2.529 197 V HA 0.283 4.403 4.120 0.001 0.000 0.292 197 V C -0.832 175.183 176.094 -0.132 0.000 1.028 197 V CA -0.397 61.762 62.300 -0.235 0.000 1.074 197 V CB 1.010 32.445 31.823 -0.646 0.000 0.958 197 V HN 0.303 nan 8.190 nan 0.000 0.481 198 P HA 0.186 nan 4.420 nan 0.000 0.259 198 P C -0.541 176.792 177.300 0.056 0.000 1.635 198 P CA 0.506 63.618 63.100 0.021 0.000 1.199 198 P CB 0.242 31.982 31.700 0.065 0.000 1.850 199 I N 2.252 122.808 120.570 -0.023 0.000 2.466 199 I HA 0.267 4.438 4.170 0.001 0.000 0.289 199 I C 0.066 176.212 176.117 0.048 0.000 1.026 199 I CA -0.718 60.541 61.300 -0.069 0.000 1.078 199 I CB 2.305 40.102 38.000 -0.338 0.000 1.249 199 I HN -0.055 nan 8.210 nan 0.000 0.429 200 D N 5.900 126.376 120.400 0.126 0.000 2.417 200 D HA 0.142 4.782 4.640 0.001 0.000 0.207 200 D C 0.032 176.410 176.300 0.131 0.000 1.075 200 D CA 0.386 54.459 54.000 0.121 0.000 0.851 200 D CB 0.844 41.724 40.800 0.134 0.000 0.976 200 D HN 0.471 nan 8.370 nan 0.000 0.505 201 c N -0.032 118.661 118.600 0.155 0.000 3.285 201 c HA 0.639 5.210 4.570 0.001 0.000 0.325 201 c C -1.721 172.456 174.090 0.145 0.000 1.304 201 c CA -0.501 55.920 56.329 0.153 0.000 1.319 201 c CB 1.219 43.822 42.510 0.155 0.000 1.640 201 c HN -0.099 nan 8.230 nan 0.000 0.477 202 V N 3.084 123.060 119.914 0.104 0.000 2.487 202 V HA 0.749 4.870 4.120 0.001 0.000 0.298 202 V C 0.801 176.833 176.094 -0.103 0.000 1.028 202 V CA 0.385 62.658 62.300 -0.044 0.000 0.860 202 V CB 1.580 33.267 31.823 -0.227 0.000 0.991 202 V HN 1.294 nan 8.190 nan 0.000 0.427 203 G N 3.323 111.998 108.800 -0.209 0.000 2.322 203 G HA2 0.620 4.581 3.960 0.001 0.000 0.309 203 G HA3 0.620 4.581 3.960 0.001 0.000 0.309 203 G C -1.084 173.598 174.900 -0.363 0.000 1.121 203 G CA -0.246 44.765 45.100 -0.147 0.000 0.886 203 G HN 0.432 nan 8.290 nan 0.000 0.447 204 F N 1.408 121.314 119.950 -0.073 0.000 2.332 204 F HA 0.290 4.818 4.527 0.001 0.000 0.368 204 F C 1.665 177.365 175.800 -0.167 0.000 1.110 204 F CA -0.580 57.380 58.000 -0.068 0.000 1.087 204 F CB 1.912 41.001 39.000 0.148 0.000 1.235 204 F HN 0.550 nan 8.300 nan 0.000 0.470 205 Q N 1.353 121.049 119.800 -0.173 0.000 2.112 205 Q HA -0.181 4.160 4.340 0.001 0.000 0.206 205 Q C 0.637 176.306 176.000 -0.553 0.000 0.987 205 Q CA 1.642 57.218 55.803 -0.378 0.000 0.858 205 Q CB -0.113 28.442 28.738 -0.305 0.000 0.905 205 Q HN 0.763 nan 8.270 nan 0.000 0.420 206 S N 0.422 115.794 115.700 -0.546 0.000 3.697 206 S HA -0.126 4.344 4.470 0.001 0.000 0.388 206 S C -0.887 173.037 174.600 -1.127 0.000 0.941 206 S CA 0.084 57.676 58.200 -1.013 0.000 1.247 206 S CB -1.528 61.340 63.200 -0.554 0.000 0.904 206 S HN 0.392 nan 8.310 nan 0.000 0.518 207 H N 0.711 119.367 119.070 -0.690 0.000 2.787 207 H HA 0.388 4.944 4.556 0.001 0.000 0.275 207 H C -0.024 175.070 175.328 -0.389 0.000 1.183 207 H CA -0.195 55.647 56.048 -0.343 0.000 1.290 207 H CB -0.074 29.645 29.762 -0.072 0.000 1.438 207 H HN 0.312 nan 8.280 nan 0.000 0.487 208 F N 2.887 122.874 119.950 0.062 0.000 2.404 208 F HA 0.233 4.760 4.527 0.001 0.000 0.339 208 F C 0.680 176.502 175.800 0.036 0.000 1.105 208 F CA -0.731 57.281 58.000 0.020 0.000 1.087 208 F CB 1.154 40.140 39.000 -0.023 0.000 1.143 208 F HN 0.530 nan 8.300 nan 0.000 0.491 209 N N -2.155 116.687 118.700 0.236 0.000 3.106 209 N HA 0.214 4.955 4.740 0.001 0.000 0.253 209 N C -0.024 175.565 175.510 0.132 0.000 1.506 209 N CA -0.424 52.710 53.050 0.140 0.000 0.876 209 N CB 0.484 39.020 38.487 0.081 0.000 1.452 209 N HN 0.239 nan 8.380 nan 0.000 0.542 210 S N -2.218 113.539 115.700 0.095 0.000 2.474 210 S HA 0.029 4.500 4.470 0.001 0.000 0.235 210 S C 1.624 176.289 174.600 0.107 0.000 0.997 210 S CA 0.975 59.229 58.200 0.091 0.000 0.949 210 S CB -1.124 62.115 63.200 0.066 0.000 0.766 210 S HN 0.772 nan 8.310 nan 0.000 0.517 211 G N 1.596 110.462 108.800 0.110 0.000 2.394 211 G HA2 0.085 4.046 3.960 0.001 0.000 0.214 211 G HA3 0.085 4.046 3.960 0.001 0.000 0.214 211 G C 0.706 175.730 174.900 0.207 0.000 1.176 211 G CA 0.613 45.791 45.100 0.130 0.000 0.786 211 G HN 0.880 nan 8.290 nan 0.000 0.533 212 S N 0.873 116.705 115.700 0.220 0.000 2.259 212 S HA 0.587 5.058 4.470 0.001 0.000 0.181 212 S C -3.127 171.615 174.600 0.236 0.000 1.589 212 S CA -1.431 56.935 58.200 0.276 0.000 1.234 212 S CB 2.404 65.767 63.200 0.272 0.000 1.119 212 S HN -0.021 nan 8.310 nan 0.000 0.458 213 P HA 0.147 nan 4.420 nan 0.000 0.272 213 P C -0.438 176.884 177.300 0.037 0.000 1.223 213 P CA -0.358 62.826 63.100 0.140 0.000 0.784 213 P CB 0.243 31.997 31.700 0.092 0.000 0.923 214 Y N 2.364 122.457 120.300 -0.345 0.000 2.397 214 Y HA 0.223 4.774 4.550 0.001 0.000 0.335 214 Y C 0.031 175.694 175.900 -0.395 0.000 1.213 214 Y CA 0.279 57.828 58.100 -0.919 0.000 1.391 214 Y CB 0.388 38.110 38.460 -1.230 0.000 1.293 214 Y HN 0.297 nan 8.280 nan 0.000 0.557 215 N N 2.323 120.260 118.700 -1.271 0.000 2.260 215 N HA 0.077 4.818 4.740 0.001 0.000 0.293 215 N C 0.255 175.121 175.510 -1.072 0.000 1.058 215 N CA 0.233 52.790 53.050 -0.822 0.000 0.824 215 N CB 2.087 40.359 38.487 -0.358 0.000 1.551 215 N HN 0.849 nan 8.380 nan 0.000 0.475 216 S N 2.667 118.020 115.700 -0.578 0.000 2.423 216 S HA -0.266 4.204 4.470 0.001 0.000 0.238 216 S C 1.242 175.742 174.600 -0.166 0.000 1.028 216 S CA 1.675 59.724 58.200 -0.252 0.000 1.000 216 S CB -0.597 62.572 63.200 -0.051 0.000 0.797 216 S HN 0.803 nan 8.310 nan 0.000 0.487 217 N N 1.101 119.710 118.700 -0.152 0.000 2.609 217 N HA -0.065 4.675 4.740 0.001 0.000 0.190 217 N C 1.033 176.547 175.510 0.007 0.000 1.157 217 N CA 0.539 53.558 53.050 -0.052 0.000 0.918 217 N CB -0.971 37.535 38.487 0.032 0.000 0.978 217 N HN 0.430 nan 8.380 nan 0.000 0.448 218 F N 1.962 121.770 119.950 -0.236 0.000 2.161 218 F HA -0.041 4.487 4.527 0.001 0.000 0.300 218 F C 2.310 178.034 175.800 -0.127 0.000 1.089 218 F CA 1.069 58.978 58.000 -0.151 0.000 1.282 218 F CB -0.431 38.498 39.000 -0.119 0.000 1.010 218 F HN 0.121 nan 8.300 nan 0.000 0.485 219 R N -0.398 119.984 120.500 -0.197 0.000 2.081 219 R HA -0.140 4.201 4.340 0.001 0.000 0.235 219 R C 2.006 178.133 176.300 -0.290 0.000 1.131 219 R CA 2.011 57.923 56.100 -0.313 0.000 0.960 219 R CB -0.564 29.635 30.300 -0.167 0.000 0.856 219 R HN 0.287 nan 8.270 nan 0.000 0.436 220 T N 0.003 114.416 114.554 -0.236 0.000 2.746 220 T HA -0.115 4.236 4.350 0.001 0.000 0.267 220 T C 1.715 176.149 174.700 -0.443 0.000 1.039 220 T CA 1.880 63.775 62.100 -0.342 0.000 1.142 220 T CB -0.353 68.299 68.868 -0.360 0.000 0.866 220 T HN 0.363 nan 8.240 nan 0.000 0.444 221 T N 2.528 116.947 114.554 -0.224 0.000 2.708 221 T HA 0.013 4.364 4.350 0.001 0.000 0.266 221 T C 1.994 176.721 174.700 0.045 0.000 1.037 221 T CA 0.969 63.103 62.100 0.057 0.000 1.146 221 T CB -0.510 68.617 68.868 0.431 0.000 0.865 221 T HN 0.264 nan 8.240 nan 0.000 0.435 222 L N 0.687 121.729 121.223 -0.301 0.000 2.046 222 L HA -0.165 4.175 4.340 0.001 0.000 0.208 222 L C 2.885 179.681 176.870 -0.124 0.000 1.077 222 L CA 1.458 56.087 54.840 -0.353 0.000 0.747 222 L CB -0.649 41.036 42.059 -0.623 0.000 0.896 222 L HN 0.333 nan 8.230 nan 0.000 0.432 223 Q N -0.299 119.386 119.800 -0.191 0.000 2.119 223 Q HA -0.160 4.181 4.340 0.001 0.000 0.201 223 Q C 2.055 177.980 176.000 -0.125 0.000 0.972 223 Q CA 1.278 56.989 55.803 -0.154 0.000 0.847 223 Q CB -0.130 28.489 28.738 -0.197 0.000 0.903 223 Q HN 0.507 nan 8.270 nan 0.000 0.433 224 N N 0.276 118.837 118.700 -0.231 0.000 2.084 224 N HA -0.121 4.620 4.740 0.001 0.000 0.190 224 N C 1.533 177.063 175.510 0.034 0.000 1.030 224 N CA 1.183 54.075 53.050 -0.263 0.000 0.849 224 N CB -0.351 37.644 38.487 -0.820 0.000 1.012 224 N HN 0.173 nan 8.380 nan 0.000 0.423 225 F N 1.486 121.530 119.950 0.157 0.000 2.134 225 F HA -0.055 4.473 4.527 0.001 0.000 0.299 225 F C 2.419 178.299 175.800 0.134 0.000 1.097 225 F CA 1.015 59.174 58.000 0.265 0.000 1.264 225 F CB -0.497 38.716 39.000 0.354 0.000 1.001 225 F HN 0.019 nan 8.300 nan 0.000 0.479 226 A N -0.046 122.915 122.820 0.234 0.000 1.933 226 A HA -0.087 4.233 4.320 0.001 0.000 0.218 226 A C 2.336 179.966 177.584 0.076 0.000 1.175 226 A CA 1.583 53.693 52.037 0.122 0.000 0.628 226 A CB -1.237 17.790 19.000 0.045 0.000 0.814 226 A HN 0.299 nan 8.150 nan 0.000 0.444 227 A N -0.503 122.349 122.820 0.053 0.000 2.121 227 A HA 0.078 4.398 4.320 0.001 0.000 0.218 227 A C 1.988 179.594 177.584 0.038 0.000 1.154 227 A CA 1.126 53.179 52.037 0.027 0.000 0.679 227 A CB -0.496 18.504 19.000 0.001 0.000 0.795 227 A HN 0.489 nan 8.150 nan 0.000 0.458 228 L N -1.722 119.536 121.223 0.058 0.000 2.291 228 L HA 0.073 4.414 4.340 0.001 0.000 0.214 228 L C 1.713 178.599 176.870 0.026 0.000 1.120 228 L CA 0.879 55.730 54.840 0.018 0.000 0.799 228 L CB -0.233 41.816 42.059 -0.016 0.000 0.925 228 L HN 0.602 nan 8.230 nan 0.000 0.446 229 G N 0.278 109.108 108.800 0.051 0.000 2.145 229 G HA2 -0.158 3.803 3.960 0.001 0.000 0.145 229 G HA3 -0.158 3.803 3.960 0.001 0.000 0.145 229 G C -0.053 174.886 174.900 0.064 0.000 1.017 229 G CA -0.097 45.030 45.100 0.046 0.000 0.682 229 G HN 0.177 nan 8.290 nan 0.000 0.504 230 V N -2.710 117.262 119.914 0.096 0.000 2.864 230 V HA 0.871 4.991 4.120 0.001 0.000 0.314 230 V C -0.232 175.938 176.094 0.127 0.000 1.073 230 V CA -1.499 60.868 62.300 0.113 0.000 0.956 230 V CB 2.053 33.958 31.823 0.137 0.000 1.023 230 V HN 0.020 nan 8.190 nan 0.000 0.435 231 D N 1.497 121.968 120.400 0.119 0.000 2.358 231 D HA 0.572 5.213 4.640 0.001 0.000 0.244 231 D C -0.008 176.378 176.300 0.144 0.000 1.163 231 D CA 0.151 54.218 54.000 0.112 0.000 0.945 231 D CB 1.956 42.819 40.800 0.105 0.000 1.152 231 D HN 0.950 nan 8.370 nan 0.000 0.451 232 V N -2.851 117.137 119.914 0.125 0.000 2.876 232 V HA 0.941 5.062 4.120 0.001 0.000 0.312 232 V C -0.901 175.268 176.094 0.125 0.000 1.085 232 V CA -0.991 61.412 62.300 0.171 0.000 0.945 232 V CB 1.556 33.457 31.823 0.129 0.000 1.017 232 V HN 0.688 nan 8.190 nan 0.000 0.428 233 A N 4.034 126.970 122.820 0.194 0.000 2.520 233 A HA 0.826 5.146 4.320 0.001 0.000 0.298 233 A C -1.062 176.635 177.584 0.189 0.000 1.051 233 A CA -0.615 51.506 52.037 0.139 0.000 0.690 233 A CB 1.632 20.735 19.000 0.171 0.000 1.281 233 A HN 0.849 nan 8.150 nan 0.000 0.402 234 I N 3.493 124.131 120.570 0.114 0.000 2.308 234 I HA 0.162 4.333 4.170 0.001 0.000 0.293 234 I C 1.631 177.778 176.117 0.052 0.000 1.078 234 I CA 0.434 61.816 61.300 0.136 0.000 1.292 234 I CB 0.065 38.131 38.000 0.110 0.000 1.423 234 I HN 0.875 nan 8.210 nan 0.000 0.493 235 T N 1.931 116.487 114.554 0.002 0.000 3.031 235 T HA 0.144 4.495 4.350 0.001 0.000 0.254 235 T C 0.773 175.396 174.700 -0.130 0.000 1.060 235 T CA 0.359 62.419 62.100 -0.066 0.000 1.135 235 T CB 0.112 68.902 68.868 -0.131 0.000 0.896 235 T HN 0.573 nan 8.240 nan 0.000 0.472 236 E N 0.830 120.858 120.200 -0.287 0.000 3.843 236 E HA 0.344 4.695 4.350 0.001 0.000 0.189 236 E C -1.055 175.313 176.600 -0.387 0.000 1.013 236 E CA -0.467 55.704 56.400 -0.383 0.000 1.395 236 E CB 0.681 29.747 29.700 -1.057 0.000 1.136 236 E HN 0.244 nan 8.360 nan 0.000 0.444 237 L N 2.851 123.993 121.223 -0.134 0.000 2.540 237 L HA 0.112 4.453 4.340 0.001 0.000 0.276 237 L C -0.756 176.215 176.870 0.169 0.000 1.212 237 L CA 0.755 55.568 54.840 -0.046 0.000 0.893 237 L CB 0.131 42.243 42.059 0.088 0.000 1.138 237 L HN 0.153 nan 8.230 nan 0.000 0.491 238 D N 4.042 124.525 120.400 0.138 0.000 2.836 238 D HA 0.458 5.098 4.640 0.001 0.000 0.215 238 D C -1.029 175.362 176.300 0.150 0.000 1.255 238 D CA -0.312 53.859 54.000 0.285 0.000 0.822 238 D CB 0.461 41.545 40.800 0.473 0.000 1.656 238 D HN 0.388 nan 8.370 nan 0.000 0.511 239 I N 0.816 121.434 120.570 0.081 0.000 2.466 239 I HA 0.252 4.422 4.170 0.001 0.000 0.289 239 I C -0.024 176.163 176.117 0.117 0.000 1.026 239 I CA -0.974 60.355 61.300 0.048 0.000 1.078 239 I CB 2.126 40.000 38.000 -0.211 0.000 1.249 239 I HN 0.383 nan 8.210 nan 0.000 0.429 240 Q N 5.124 124.993 119.800 0.114 0.000 2.239 240 Q HA 0.174 4.515 4.340 0.001 0.000 0.286 240 Q C 1.095 177.145 176.000 0.084 0.000 1.102 240 Q CA 1.343 57.201 55.803 0.092 0.000 0.936 240 Q CB 0.360 29.140 28.738 0.071 0.000 1.127 240 Q HN 1.026 nan 8.270 nan 0.000 0.380 241 G N 3.212 112.066 108.800 0.090 0.000 2.241 241 G HA2 -0.326 3.634 3.960 0.001 0.000 0.244 241 G HA3 -0.326 3.634 3.960 0.001 0.000 0.244 241 G C 0.476 175.439 174.900 0.105 0.000 0.998 241 G CA 0.073 45.218 45.100 0.076 0.000 0.621 241 G HN 1.844 nan 8.290 nan 0.000 0.519 242 A N -0.884 122.038 122.820 0.169 0.000 2.610 242 A HA 0.119 4.440 4.320 0.001 0.000 0.299 242 A C 1.229 178.957 177.584 0.240 0.000 1.487 242 A CA 1.840 54.062 52.037 0.308 0.000 0.743 242 A CB -1.933 17.246 19.000 0.298 0.000 1.070 242 A HN 2.472 nan 8.150 nan 0.000 0.439 243 S N 0.050 115.834 115.700 0.141 0.000 2.546 243 S HA 0.342 4.812 4.470 0.001 0.000 0.290 243 S C 1.573 176.254 174.600 0.135 0.000 1.290 243 S CA 0.427 58.675 58.200 0.080 0.000 1.069 243 S CB 0.643 63.855 63.200 0.020 0.000 0.846 243 S HN 1.065 nan 8.310 nan 0.000 0.495 244 S N 4.166 119.918 115.700 0.087 0.000 2.359 244 S HA -0.102 4.369 4.470 0.001 0.000 0.224 244 S C 2.222 176.883 174.600 0.102 0.000 1.035 244 S CA 1.718 59.986 58.200 0.113 0.000 1.018 244 S CB -0.552 62.717 63.200 0.115 0.000 0.876 244 S HN 0.814 nan 8.310 nan 0.000 0.448 245 S N 1.107 116.841 115.700 0.057 0.000 2.370 245 S HA -0.108 4.362 4.470 0.001 0.000 0.226 245 S C 2.138 176.711 174.600 -0.046 0.000 1.033 245 S CA 1.654 59.869 58.200 0.025 0.000 1.011 245 S CB -0.686 62.526 63.200 0.020 0.000 0.852 245 S HN 0.610 nan 8.310 nan 0.000 0.457 246 T N 0.614 115.110 114.554 -0.096 0.000 2.777 246 T HA -0.049 4.302 4.350 0.001 0.000 0.266 246 T C 1.527 176.047 174.700 -0.300 0.000 1.040 246 T CA 1.087 62.999 62.100 -0.312 0.000 1.141 246 T CB -0.418 68.266 68.868 -0.307 0.000 0.868 246 T HN 0.340 nan 8.240 nan 0.000 0.444 247 Y N 1.548 121.779 120.300 -0.116 0.000 2.224 247 Y HA 0.039 4.589 4.550 0.001 0.000 0.289 247 Y C 2.655 178.530 175.900 -0.042 0.000 1.146 247 Y CA 0.535 58.612 58.100 -0.038 0.000 1.182 247 Y CB -0.672 37.801 38.460 0.022 0.000 0.983 247 Y HN 0.207 nan 8.280 nan 0.000 0.524 248 A N -0.565 122.320 122.820 0.108 0.000 1.929 248 A HA -0.035 4.285 4.320 0.001 0.000 0.216 248 A C 2.408 179.993 177.584 0.001 0.000 1.176 248 A CA 1.481 53.549 52.037 0.051 0.000 0.628 248 A CB -1.109 17.913 19.000 0.037 0.000 0.816 248 A HN 0.388 nan 8.150 nan 0.000 0.444 249 A N -0.414 122.355 122.820 -0.085 0.000 1.873 249 A HA 0.019 4.339 4.320 0.001 0.000 0.215 249 A C 2.203 179.727 177.584 -0.099 0.000 1.186 249 A CA 1.728 53.694 52.037 -0.119 0.000 0.616 249 A CB -0.927 17.922 19.000 -0.252 0.000 0.823 249 A HN 0.372 nan 8.150 nan 0.000 0.442 250 V N -0.177 119.622 119.914 -0.192 0.000 2.343 250 V HA -0.234 3.886 4.120 0.001 0.000 0.247 250 V C 2.728 178.883 176.094 0.101 0.000 1.051 250 V CA 2.473 64.797 62.300 0.039 0.000 1.036 250 V CB -1.373 30.497 31.823 0.077 0.000 0.654 250 V HN 0.596 nan 8.190 nan 0.000 0.451 251 T N 0.389 115.008 114.554 0.108 0.000 2.684 251 T HA -0.185 4.166 4.350 0.001 0.000 0.267 251 T C 1.834 176.564 174.700 0.051 0.000 1.036 251 T CA 1.713 63.888 62.100 0.124 0.000 1.148 251 T CB -0.393 68.562 68.868 0.145 0.000 0.863 251 T HN 0.431 nan 8.240 nan 0.000 0.436 252 N N 1.179 119.895 118.700 0.027 0.000 2.309 252 N HA -0.078 4.662 4.740 0.001 0.000 0.182 252 N C 1.448 176.946 175.510 -0.020 0.000 1.018 252 N CA 0.847 53.899 53.050 0.002 0.000 0.876 252 N CB -0.311 38.177 38.487 0.003 0.000 0.972 252 N HN 0.397 nan 8.380 nan 0.000 0.434 253 D N 0.304 120.692 120.400 -0.020 0.000 2.117 253 D HA -0.099 4.542 4.640 0.001 0.000 0.198 253 D C 2.026 178.237 176.300 -0.147 0.000 0.982 253 D CA 0.507 54.452 54.000 -0.092 0.000 0.828 253 D CB -0.542 40.186 40.800 -0.120 0.000 0.967 253 D HN 0.194 nan 8.370 nan 0.000 0.464 254 c N 0.535 119.068 118.600 -0.111 0.000 2.453 254 c HA -0.043 4.527 4.570 0.001 0.000 0.277 254 c C 2.787 176.823 174.090 -0.090 0.000 1.262 254 c CA 0.323 56.580 56.329 -0.120 0.000 1.718 254 c CB -1.221 41.240 42.510 -0.081 0.000 2.031 254 c HN 0.280 nan 8.230 nan 0.000 0.480 255 L N 1.135 122.325 121.223 -0.055 0.000 2.191 255 L HA -0.070 4.270 4.340 0.001 0.000 0.212 255 L C 2.796 179.635 176.870 -0.051 0.000 1.103 255 L CA 1.436 56.250 54.840 -0.043 0.000 0.769 255 L CB -0.605 41.440 42.059 -0.023 0.000 0.908 255 L HN 0.454 nan 8.230 nan 0.000 0.438 256 A N -0.734 122.047 122.820 -0.064 0.000 2.169 256 A HA 0.144 4.464 4.320 0.001 0.000 0.212 256 A C 0.869 178.405 177.584 -0.080 0.000 1.153 256 A CA 0.289 52.285 52.037 -0.067 0.000 0.756 256 A CB -0.050 18.907 19.000 -0.072 0.000 0.813 256 A HN 0.137 nan 8.150 nan 0.000 0.471 257 V N 0.182 120.040 119.914 -0.094 0.000 2.334 257 V HA 0.225 4.345 4.120 0.001 0.000 0.281 257 V C 1.423 177.477 176.094 -0.067 0.000 1.016 257 V CA 0.181 62.425 62.300 -0.094 0.000 0.832 257 V CB 1.032 32.774 31.823 -0.134 0.000 0.999 257 V HN 0.419 nan 8.190 nan 0.000 0.439 258 S N 4.034 119.705 115.700 -0.048 0.000 2.387 258 S HA -0.199 4.272 4.470 0.001 0.000 0.230 258 S C 1.854 176.440 174.600 -0.022 0.000 1.035 258 S CA 1.881 60.062 58.200 -0.031 0.000 1.014 258 S CB -0.105 63.082 63.200 -0.022 0.000 0.836 258 S HN 0.720 nan 8.310 nan 0.000 0.466 259 R N 0.108 120.597 120.500 -0.018 0.000 2.313 259 R HA 0.208 4.548 4.340 0.001 0.000 0.199 259 R C 0.478 176.775 176.300 -0.005 0.000 0.958 259 R CA 0.129 56.231 56.100 0.003 0.000 1.047 259 R CB -0.841 29.473 30.300 0.024 0.000 0.955 259 R HN 0.425 nan 8.270 nan 0.000 0.481 260 c N 1.340 119.914 118.600 -0.044 0.000 2.492 260 c HA 0.184 4.754 4.570 0.001 0.000 0.362 260 c C 1.766 175.801 174.090 -0.091 0.000 1.207 260 c CA -0.763 55.524 56.329 -0.070 0.000 1.626 260 c CB -1.462 40.978 42.510 -0.116 0.000 2.239 260 c HN 0.581 nan 8.230 nan 0.000 0.547 261 L N 5.233 126.416 121.223 -0.068 0.000 2.079 261 L HA 0.169 4.509 4.340 0.001 0.000 0.210 261 L C 1.609 178.201 176.870 -0.464 0.000 1.081 261 L CA 1.420 56.205 54.840 -0.093 0.000 0.752 261 L CB -0.665 41.461 42.059 0.110 0.000 0.896 261 L HN 0.926 nan 8.230 nan 0.000 0.433 262 G N -1.114 107.292 108.800 -0.657 0.000 2.317 262 G HA2 0.409 4.370 3.960 0.001 0.000 0.293 262 G HA3 0.409 4.370 3.960 0.001 0.000 0.293 262 G C -1.848 172.662 174.900 -0.651 0.000 1.287 262 G CA -0.772 43.666 45.100 -1.104 0.000 0.850 262 G HN -0.105 nan 8.290 nan 0.000 0.515 263 I N 0.344 120.569 120.570 -0.575 0.000 2.582 263 I HA 0.540 4.711 4.170 0.001 0.000 0.292 263 I C -0.482 175.365 176.117 -0.449 0.000 1.066 263 I CA -0.643 60.406 61.300 -0.419 0.000 1.053 263 I CB 2.750 40.447 38.000 -0.505 0.000 1.241 263 I HN 0.382 nan 8.210 nan 0.000 0.421 264 T N 5.284 119.730 114.554 -0.179 0.000 2.812 264 T HA 0.468 4.819 4.350 0.001 0.000 0.282 264 T C -0.344 174.339 174.700 -0.029 0.000 0.990 264 T CA -0.535 61.508 62.100 -0.094 0.000 0.960 264 T CB 1.592 70.483 68.868 0.038 0.000 0.948 264 T HN 0.365 nan 8.240 nan 0.000 0.438 265 V N 1.085 121.019 119.914 0.032 0.000 2.617 265 V HA 0.494 4.614 4.120 0.001 0.000 0.298 265 V C 0.230 176.449 176.094 0.208 0.000 1.048 265 V CA -1.147 61.285 62.300 0.221 0.000 0.964 265 V CB 1.375 33.445 31.823 0.413 0.000 1.004 265 V HN 1.007 nan 8.190 nan 0.000 0.466 266 W N 4.788 126.112 121.300 0.040 0.000 1.395 266 W HA 0.547 5.207 4.660 0.001 0.000 0.451 266 W C 0.536 177.091 176.519 0.061 0.000 0.619 266 W CA 0.672 58.017 57.345 -0.001 0.000 2.212 266 W CB -0.012 29.468 29.460 0.034 0.000 1.537 266 W HN 1.230 nan 8.180 nan 0.000 0.275 267 G N 0.029 108.738 108.800 -0.152 0.000 2.334 267 G HA2 -0.088 3.873 3.960 0.001 0.000 0.566 267 G HA3 -0.088 3.873 3.960 0.001 0.000 0.566 267 G C -0.520 174.371 174.900 -0.016 0.000 1.413 267 G CA -0.666 44.364 45.100 -0.117 0.000 0.993 267 G HN 0.031 nan 8.290 nan 0.000 0.642 268 V N 0.522 120.436 119.914 -0.000 0.000 2.326 268 V HA 0.262 4.383 4.120 0.001 0.000 0.237 268 V C 1.619 177.826 176.094 0.189 0.000 1.044 268 V CA 1.632 63.949 62.300 0.029 0.000 1.035 268 V CB -0.508 31.144 31.823 -0.286 0.000 0.675 268 V HN 0.702 nan 8.190 nan 0.000 0.470 269 R N 0.460 121.059 120.500 0.164 0.000 2.643 269 R HA 0.290 4.630 4.340 0.001 0.000 0.272 269 R C 0.713 177.136 176.300 0.205 0.000 0.995 269 R CA -0.646 55.584 56.100 0.217 0.000 1.032 269 R CB 0.688 31.086 30.300 0.162 0.000 1.126 269 R HN 0.174 nan 8.270 nan 0.000 0.505 270 D N 0.620 121.136 120.400 0.193 0.000 2.182 270 D HA -0.151 4.490 4.640 0.001 0.000 0.201 270 D C 1.627 178.011 176.300 0.141 0.000 0.986 270 D CA 2.028 56.129 54.000 0.168 0.000 0.847 270 D CB -0.131 40.750 40.800 0.136 0.000 0.942 270 D HN 0.682 nan 8.370 nan 0.000 0.467 271 T N -1.764 112.863 114.554 0.122 0.000 3.072 271 T HA -0.080 4.270 4.350 0.001 0.000 0.266 271 T C 1.134 175.893 174.700 0.099 0.000 1.127 271 T CA 0.709 62.867 62.100 0.096 0.000 1.107 271 T CB 0.090 69.005 68.868 0.078 0.000 0.910 271 T HN -0.016 nan 8.240 nan 0.000 0.513 272 D N 1.200 121.676 120.400 0.127 0.000 2.354 272 D HA 0.129 4.769 4.640 0.001 0.000 0.209 272 D C 0.944 177.326 176.300 0.136 0.000 1.015 272 D CA 0.142 54.210 54.000 0.114 0.000 0.867 272 D CB 0.107 41.008 40.800 0.168 0.000 0.933 272 D HN 0.433 nan 8.370 nan 0.000 0.520 273 S N 1.348 117.162 115.700 0.189 0.000 2.560 273 S HA -0.019 4.452 4.470 0.001 0.000 0.284 273 S C 1.290 176.098 174.600 0.346 0.000 1.327 273 S CA -0.700 57.680 58.200 0.300 0.000 1.055 273 S CB 0.503 63.881 63.200 0.298 0.000 0.868 273 S HN 0.352 nan 8.310 nan 0.000 0.506 274 W N 5.245 126.633 121.300 0.146 0.000 2.825 274 W HA 0.171 4.832 4.660 0.001 0.000 0.243 274 W C 0.273 176.848 176.519 0.092 0.000 1.293 274 W CA -0.091 57.331 57.345 0.129 0.000 1.403 274 W CB -0.815 28.766 29.460 0.202 0.000 1.134 274 W HN 0.649 nan 8.180 nan 0.000 0.666 275 R N 1.314 121.747 120.500 -0.111 0.000 2.718 275 R HA 0.065 4.406 4.340 0.001 0.000 0.307 275 R C 1.606 177.880 176.300 -0.043 0.000 1.244 275 R CA 0.527 56.466 56.100 -0.268 0.000 1.348 275 R CB 0.343 30.312 30.300 -0.552 0.000 1.304 275 R HN 0.055 nan 8.270 nan 0.000 0.663 276 S N -0.912 114.806 115.700 0.030 0.000 2.419 276 S HA -0.149 4.322 4.470 0.001 0.000 0.235 276 S C 1.966 176.589 174.600 0.037 0.000 1.019 276 S CA 1.374 59.611 58.200 0.062 0.000 0.982 276 S CB -0.154 63.087 63.200 0.068 0.000 0.789 276 S HN 0.551 nan 8.310 nan 0.000 0.490 277 G N 1.327 110.129 108.800 0.004 0.000 2.470 277 G HA2 -0.115 3.845 3.960 0.001 0.000 0.220 277 G HA3 -0.115 3.845 3.960 0.001 0.000 0.220 277 G C 0.876 175.783 174.900 0.011 0.000 1.121 277 G CA 0.871 45.973 45.100 0.003 0.000 0.766 277 G HN 0.544 nan 8.290 nan 0.000 0.553 278 D N 0.404 120.810 120.400 0.009 0.000 2.340 278 D HA 0.060 4.701 4.640 0.001 0.000 0.217 278 D C 1.400 177.743 176.300 0.071 0.000 1.081 278 D CA 0.926 54.944 54.000 0.030 0.000 0.842 278 D CB -0.233 40.574 40.800 0.012 0.000 0.934 278 D HN 0.341 nan 8.370 nan 0.000 0.511 279 T N -0.239 114.363 114.554 0.080 0.000 3.398 279 T HA -0.159 4.192 4.350 0.001 0.000 0.408 279 T C -1.692 173.099 174.700 0.151 0.000 0.769 279 T CA 0.205 62.369 62.100 0.106 0.000 2.018 279 T CB -1.088 67.826 68.868 0.078 0.000 1.703 279 T HN 0.174 nan 8.240 nan 0.000 0.639 280 P HA 0.324 nan 4.420 nan 0.000 0.255 280 P C 0.706 178.245 177.300 0.400 0.000 1.248 280 P CA -0.243 63.018 63.100 0.269 0.000 0.807 280 P CB 0.414 32.260 31.700 0.244 0.000 1.150 281 L N -0.966 120.463 121.223 0.342 0.000 2.687 281 L HA 0.376 4.717 4.340 0.001 0.000 0.252 281 L C 1.905 178.898 176.870 0.206 0.000 1.115 281 L CA -1.027 54.030 54.840 0.361 0.000 0.893 281 L CB 0.358 42.619 42.059 0.336 0.000 1.670 281 L HN -0.285 nan 8.230 nan 0.000 0.531 282 L N -0.764 120.555 121.223 0.160 0.000 2.585 282 L HA 0.240 4.581 4.340 0.001 0.000 0.226 282 L C -0.612 176.126 176.870 -0.221 0.000 1.113 282 L CA 0.200 54.995 54.840 -0.076 0.000 0.876 282 L CB 0.180 42.175 42.059 -0.107 0.000 1.072 282 L HN 0.210 nan 8.230 nan 0.000 0.468 283 F N -0.564 119.434 119.950 0.080 0.000 2.551 283 F HA 0.379 4.906 4.527 0.001 0.000 0.316 283 F C 0.481 176.301 175.800 0.032 0.000 1.089 283 F CA -1.048 56.968 58.000 0.026 0.000 0.915 283 F CB 1.088 40.100 39.000 0.021 0.000 1.186 283 F HN -0.161 nan 8.300 nan 0.000 0.456 284 N N 0.625 119.420 118.700 0.159 0.000 2.381 284 N HA 0.126 4.867 4.740 0.001 0.000 0.254 284 N C 1.179 176.763 175.510 0.122 0.000 1.264 284 N CA 0.470 53.581 53.050 0.102 0.000 0.942 284 N CB 1.053 39.562 38.487 0.037 0.000 1.190 284 N HN 0.895 nan 8.380 nan 0.000 0.495 285 G N 0.135 108.989 108.800 0.090 0.000 2.448 285 G HA2 -0.254 3.707 3.960 0.001 0.000 0.219 285 G HA3 -0.254 3.707 3.960 0.001 0.000 0.219 285 G C 0.779 175.718 174.900 0.066 0.000 1.127 285 G CA 0.893 46.042 45.100 0.082 0.000 0.766 285 G HN 0.715 nan 8.290 nan 0.000 0.552 286 D N -0.714 119.717 120.400 0.052 0.000 2.363 286 D HA 0.211 4.852 4.640 0.001 0.000 0.226 286 D C 1.737 178.061 176.300 0.040 0.000 1.020 286 D CA 0.771 54.792 54.000 0.035 0.000 0.892 286 D CB -0.509 40.301 40.800 0.017 0.000 0.900 286 D HN 0.499 nan 8.370 nan 0.000 0.531 287 G N 0.011 108.856 108.800 0.074 0.000 2.175 287 G HA2 -0.278 3.683 3.960 0.001 0.000 0.244 287 G HA3 -0.278 3.683 3.960 0.001 0.000 0.244 287 G C 0.369 175.364 174.900 0.159 0.000 0.982 287 G CA 0.339 45.494 45.100 0.092 0.000 0.641 287 G HN 0.842 nan 8.290 nan 0.000 0.527 288 S N 0.096 115.847 115.700 0.086 0.000 2.580 288 S HA 0.602 5.073 4.470 0.001 0.000 0.274 288 S C 0.248 174.805 174.600 -0.071 0.000 1.329 288 S CA -0.241 57.963 58.200 0.007 0.000 1.036 288 S CB 1.547 64.716 63.200 -0.052 0.000 0.919 288 S HN 0.456 nan 8.310 nan 0.000 0.515 289 K N 2.133 122.374 120.400 -0.266 0.000 2.368 289 K HA 0.186 4.507 4.320 0.001 0.000 0.282 289 K C 0.189 176.588 176.600 -0.335 0.000 1.035 289 K CA -0.098 55.816 56.287 -0.622 0.000 0.973 289 K CB 0.518 32.520 32.500 -0.830 0.000 0.957 289 K HN 0.561 nan 8.250 nan 0.000 0.474 290 K N 0.892 121.111 120.400 -0.301 0.000 2.127 290 K HA 0.193 4.514 4.320 0.001 0.000 0.240 290 K C 1.221 177.775 176.600 -0.078 0.000 1.024 290 K CA -0.291 55.905 56.287 -0.151 0.000 0.918 290 K CB 0.729 33.161 32.500 -0.114 0.000 1.108 290 K HN 0.621 nan 8.250 nan 0.000 0.485 291 A N 1.029 123.829 122.820 -0.033 0.000 1.908 291 A HA -0.216 4.105 4.320 0.001 0.000 0.218 291 A C 2.172 179.780 177.584 0.040 0.000 1.181 291 A CA 2.285 54.352 52.037 0.051 0.000 0.627 291 A CB -1.031 18.013 19.000 0.072 0.000 0.818 291 A HN 0.778 nan 8.150 nan 0.000 0.445 292 A N -1.700 121.110 122.820 -0.016 0.000 2.019 292 A HA -0.087 4.234 4.320 0.001 0.000 0.219 292 A C 2.052 179.515 177.584 -0.201 0.000 1.164 292 A CA 1.582 53.576 52.037 -0.072 0.000 0.644 292 A CB -0.739 18.203 19.000 -0.098 0.000 0.805 292 A HN 0.777 nan 8.150 nan 0.000 0.449 293 Y N 1.090 121.198 120.300 -0.320 0.000 2.145 293 Y HA -0.199 4.351 4.550 0.001 0.000 0.286 293 Y C 2.520 178.257 175.900 -0.271 0.000 1.145 293 Y CA 2.436 60.300 58.100 -0.394 0.000 1.148 293 Y CB -0.625 37.507 38.460 -0.548 0.000 0.981 293 Y HN 0.277 nan 8.280 nan 0.000 0.507 294 T N 0.615 115.149 114.554 -0.035 0.000 2.951 294 T HA -0.064 4.286 4.350 0.001 0.000 0.268 294 T C 2.026 176.653 174.700 -0.121 0.000 1.073 294 T CA 0.994 63.060 62.100 -0.057 0.000 1.134 294 T CB -0.545 68.356 68.868 0.055 0.000 0.884 294 T HN 0.499 nan 8.240 nan 0.000 0.479 295 A N 0.848 123.618 122.820 -0.083 0.000 1.930 295 A HA 0.022 4.342 4.320 0.001 0.000 0.217 295 A C 2.498 180.021 177.584 -0.102 0.000 1.175 295 A CA 0.976 52.987 52.037 -0.043 0.000 0.627 295 A CB -0.724 18.300 19.000 0.039 0.000 0.815 295 A HN 0.362 nan 8.150 nan 0.000 0.443 296 V N -0.394 119.396 119.914 -0.206 0.000 2.323 296 V HA -0.186 3.935 4.120 0.001 0.000 0.244 296 V C 2.445 178.352 176.094 -0.311 0.000 1.041 296 V CA 1.760 63.918 62.300 -0.237 0.000 1.025 296 V CB -0.754 30.843 31.823 -0.377 0.000 0.656 296 V HN 0.560 nan 8.190 nan 0.000 0.451 297 L N 1.029 121.971 121.223 -0.469 0.000 2.012 297 L HA -0.189 4.152 4.340 0.001 0.000 0.210 297 L C 2.220 178.967 176.870 -0.204 0.000 1.073 297 L CA 2.063 56.666 54.840 -0.395 0.000 0.748 297 L CB -0.945 40.855 42.059 -0.432 0.000 0.891 297 L HN 0.330 nan 8.230 nan 0.000 0.431 298 N N 0.016 118.623 118.700 -0.155 0.000 2.120 298 N HA -0.136 4.604 4.740 0.001 0.000 0.188 298 N C 1.836 177.303 175.510 -0.071 0.000 1.024 298 N CA 1.596 54.592 53.050 -0.091 0.000 0.852 298 N CB -0.620 37.826 38.487 -0.069 0.000 1.003 298 N HN 0.526 nan 8.380 nan 0.000 0.424 299 A N 1.373 124.152 122.820 -0.068 0.000 1.877 299 A HA -0.066 4.254 4.320 0.001 0.000 0.216 299 A C 2.389 179.951 177.584 -0.037 0.000 1.186 299 A CA 1.006 53.020 52.037 -0.038 0.000 0.620 299 A CB -0.891 18.099 19.000 -0.017 0.000 0.822 299 A HN 0.220 nan 8.150 nan 0.000 0.443 300 L N -0.160 121.031 121.223 -0.054 0.000 2.042 300 L HA -0.208 4.132 4.340 0.001 0.000 0.210 300 L C 1.728 178.574 176.870 -0.040 0.000 1.076 300 L CA 1.246 56.062 54.840 -0.039 0.000 0.749 300 L CB -0.580 41.439 42.059 -0.067 0.000 0.893 300 L HN 0.382 nan 8.230 nan 0.000 0.432 301 N N -0.109 118.557 118.700 -0.056 0.000 2.521 301 N HA -0.028 4.712 4.740 0.001 0.000 0.188 301 N C 1.392 176.883 175.510 -0.032 0.000 1.146 301 N CA 1.055 54.079 53.050 -0.043 0.000 0.893 301 N CB 0.652 39.110 38.487 -0.050 0.000 0.975 301 N HN 0.499 nan 8.380 nan 0.000 0.451 302 G N -0.676 108.106 108.800 -0.030 0.000 2.213 302 G HA2 -0.185 3.776 3.960 0.001 0.000 0.236 302 G HA3 -0.185 3.776 3.960 0.001 0.000 0.236 302 G C 0.632 175.518 174.900 -0.024 0.000 0.991 302 G CA 0.238 45.324 45.100 -0.023 0.000 0.629 302 G HN 0.772 nan 8.290 nan 0.000 0.517 303 G N -0.762 108.020 108.800 -0.029 0.000 2.553 303 G HA2 0.113 4.074 3.960 0.001 0.000 0.242 303 G HA3 0.113 4.074 3.960 0.001 0.000 0.242 303 G C 0.683 175.568 174.900 -0.025 0.000 1.277 303 G CA 0.657 45.740 45.100 -0.028 0.000 0.910 303 G HN 1.622 nan 8.290 nan 0.000 0.576 304 S N -1.343 114.343 115.700 -0.023 0.000 2.232 304 S HA 0.667 5.138 4.470 0.001 0.000 0.240 304 S C 1.727 176.317 174.600 -0.016 0.000 1.224 304 S CA 0.614 58.801 58.200 -0.020 0.000 1.019 304 S CB 0.938 64.125 63.200 -0.021 0.000 1.039 304 S HN 0.994 nan 8.310 nan 0.000 0.439 305 S N 0.221 115.912 115.700 -0.014 0.000 2.891 305 S HA 0.217 4.687 4.470 0.001 0.000 0.247 305 S C 0.528 175.123 174.600 -0.009 0.000 1.063 305 S CA 0.194 58.387 58.200 -0.012 0.000 0.857 305 S CB 0.216 63.409 63.200 -0.012 0.000 0.800 305 S HN 0.846 nan 8.310 nan 0.000 0.540 306 T N 1.360 115.909 114.554 -0.008 0.000 2.932 306 T HA 0.685 5.036 4.350 0.001 0.000 0.289 306 T C -3.130 171.568 174.700 -0.003 0.000 1.039 306 T CA -2.031 60.066 62.100 -0.005 0.000 1.024 306 T CB 0.730 69.596 68.868 -0.003 0.000 1.090 306 T HN -0.149 nan 8.240 nan 0.000 0.496 307 P HA 0.239 nan 4.420 nan 0.000 0.266 307 P C -2.081 175.221 177.300 0.004 0.000 1.193 307 P CA -0.676 62.426 63.100 0.004 0.000 0.770 307 P CB -0.172 31.532 31.700 0.007 0.000 0.836 308 P HA 0.302 nan 4.420 nan 0.000 0.281 308 P C -2.475 174.836 177.300 0.018 0.000 1.281 308 P CA -1.903 61.200 63.100 0.005 0.000 0.811 308 P CB -0.196 31.504 31.700 -0.001 0.000 1.154 309 P HA 0.080 nan 4.420 nan 0.000 0.237 309 P C 0.226 177.554 177.300 0.047 0.000 1.701 309 P CA 0.187 63.307 63.100 0.033 0.000 0.955 309 P CB -0.778 30.945 31.700 0.037 0.000 1.937 310 S N 2.465 118.192 115.700 0.045 0.000 3.106 310 S HA 0.166 4.636 4.470 0.001 0.000 0.363 310 S C 1.059 175.690 174.600 0.052 0.000 1.191 310 S CA 0.687 58.919 58.200 0.054 0.000 1.191 310 S CB -1.423 61.802 63.200 0.042 0.000 0.884 310 S HN 0.717 nan 8.310 nan 0.000 0.526 311 G N 3.667 112.508 108.800 0.068 0.000 2.515 311 G HA2 0.296 4.257 3.960 0.001 0.000 0.208 311 G HA3 0.296 4.257 3.960 0.001 0.000 0.208 311 G C 0.587 175.511 174.900 0.040 0.000 0.737 311 G CA 0.024 45.157 45.100 0.054 0.000 0.987 311 G HN 2.205 nan 8.290 nan 0.000 0.307 312 G N -0.093 108.732 108.800 0.043 0.000 3.439 312 G HA2 0.625 4.586 3.960 0.001 0.000 0.684 312 G HA3 0.625 4.586 3.960 0.001 0.000 0.684 312 G C 0.865 175.783 174.900 0.030 0.000 1.005 312 G CA 0.711 45.822 45.100 0.019 0.000 0.837 312 G HN 2.921 nan 8.290 nan 0.000 0.470 313 G N 1.060 109.885 108.800 0.041 0.000 2.355 313 G HA2 0.663 4.623 3.960 0.001 0.000 0.296 313 G HA3 0.663 4.623 3.960 0.001 0.000 0.296 313 G C -0.700 174.260 174.900 0.101 0.000 1.507 313 G CA -0.509 44.623 45.100 0.054 0.000 0.823 313 G HN 0.777 nan 8.290 nan 0.000 0.569 314 Q N -0.734 119.118 119.800 0.087 0.000 2.260 314 Q HA 0.628 4.968 4.340 0.001 0.000 0.238 314 Q C -0.328 175.736 176.000 0.107 0.000 0.948 314 Q CA -0.283 55.597 55.803 0.128 0.000 0.895 314 Q CB 2.098 30.885 28.738 0.082 0.000 1.218 314 Q HN 0.439 nan 8.270 nan 0.000 0.470 315 I N 2.035 122.665 120.570 0.099 0.000 2.420 315 I HA 0.276 4.446 4.170 0.001 0.000 0.282 315 I C -0.545 175.659 176.117 0.144 0.000 1.019 315 I CA -0.474 60.836 61.300 0.016 0.000 1.130 315 I CB 1.299 39.137 38.000 -0.270 0.000 1.262 315 I HN 0.353 nan 8.210 nan 0.000 0.454 316 K N 5.048 125.561 120.400 0.188 0.000 2.185 316 K HA 0.569 4.889 4.320 0.001 0.000 0.269 316 K C 0.221 176.949 176.600 0.213 0.000 0.987 316 K CA -0.466 55.939 56.287 0.197 0.000 0.865 316 K CB 1.513 34.069 32.500 0.092 0.000 1.090 316 K HN 0.698 nan 8.250 nan 0.000 0.450 317 G N 2.392 111.258 108.800 0.111 0.000 2.378 317 G HA2 0.107 4.067 3.960 0.001 0.000 0.255 317 G HA3 0.107 4.067 3.960 0.001 0.000 0.255 317 G C 0.893 175.615 174.900 -0.297 0.000 1.270 317 G CA -0.693 44.163 45.100 -0.407 0.000 0.876 317 G HN 0.517 nan 8.290 nan 0.000 0.521 318 V N 3.640 123.331 119.914 -0.371 0.000 2.261 318 V HA -0.121 4.000 4.120 0.001 0.000 0.246 318 V C 2.997 178.970 176.094 -0.203 0.000 1.047 318 V CA 2.540 64.702 62.300 -0.229 0.000 1.015 318 V CB -0.935 30.758 31.823 -0.218 0.000 0.642 318 V HN 0.797 nan 8.190 nan 0.000 0.446 319 G N -0.288 108.360 108.800 -0.253 0.000 2.422 319 G HA2 -0.223 3.738 3.960 0.001 0.000 0.218 319 G HA3 -0.223 3.738 3.960 0.001 0.000 0.218 319 G C 1.798 176.608 174.900 -0.151 0.000 1.140 319 G CA 1.372 46.360 45.100 -0.187 0.000 0.775 319 G HN 0.649 nan 8.290 nan 0.000 0.545 320 S N -1.233 114.366 115.700 -0.169 0.000 2.483 320 S HA 0.361 4.831 4.470 0.001 0.000 0.221 320 S C 1.973 176.524 174.600 -0.082 0.000 1.030 320 S CA 1.111 59.243 58.200 -0.113 0.000 0.925 320 S CB 0.046 63.185 63.200 -0.102 0.000 0.795 320 S HN 1.498 nan 8.310 nan 0.000 0.511 321 G N 1.504 110.254 108.800 -0.084 0.000 2.162 321 G HA2 -0.254 3.707 3.960 0.001 0.000 0.260 321 G HA3 -0.254 3.707 3.960 0.001 0.000 0.260 321 G C 0.103 174.991 174.900 -0.019 0.000 0.976 321 G CA 0.276 45.347 45.100 -0.049 0.000 0.655 321 G HN 0.619 nan 8.290 nan 0.000 0.533 322 R N -1.153 119.343 120.500 -0.007 0.000 2.720 322 R HA 0.662 5.002 4.340 0.001 0.000 0.272 322 R C -0.049 176.320 176.300 0.116 0.000 0.991 322 R CA -0.418 55.705 56.100 0.039 0.000 1.010 322 R CB 1.332 31.646 30.300 0.023 0.000 1.141 322 R HN 0.198 nan 8.270 nan 0.000 0.494 323 c N 1.480 120.171 118.600 0.152 0.000 2.364 323 c HA 0.312 4.883 4.570 0.001 0.000 0.356 323 c C -0.017 174.204 174.090 0.218 0.000 1.201 323 c CA -0.702 55.740 56.329 0.189 0.000 2.227 323 c CB 0.595 43.201 42.510 0.159 0.000 2.387 323 c HN 0.565 nan 8.230 nan 0.000 0.546 324 L N 3.845 125.167 121.223 0.165 0.000 2.477 324 L HA 0.254 4.594 4.340 0.001 0.000 0.272 324 L C 0.104 177.148 176.870 0.289 0.000 1.157 324 L CA 1.154 56.033 54.840 0.066 0.000 0.889 324 L CB -0.291 41.532 42.059 -0.393 0.000 1.158 324 L HN 0.681 nan 8.230 nan 0.000 0.473 325 D N 3.808 124.366 120.400 0.263 0.000 2.738 325 D HA 0.248 4.888 4.640 0.001 0.000 0.237 325 D C -1.358 175.074 176.300 0.219 0.000 1.123 325 D CA -0.461 53.690 54.000 0.252 0.000 0.856 325 D CB 2.346 43.290 40.800 0.240 0.000 1.552 325 D HN 0.197 nan 8.370 nan 0.000 0.480 326 V N 4.526 124.535 119.914 0.159 0.000 2.353 326 V HA 0.257 4.377 4.120 0.001 0.000 0.264 326 V C -2.046 174.107 176.094 0.099 0.000 1.049 326 V CA -1.536 60.851 62.300 0.145 0.000 0.896 326 V CB 0.867 32.751 31.823 0.102 0.000 1.025 326 V HN 0.482 nan 8.190 nan 0.000 0.475 327 P HA -0.066 nan 4.420 nan 0.000 0.257 327 P C 0.537 177.850 177.300 0.022 0.000 1.153 327 P CA 0.754 63.872 63.100 0.030 0.000 0.762 327 P CB 0.015 31.743 31.700 0.047 0.000 0.743 328 N N 3.052 121.738 118.700 -0.024 0.000 2.693 328 N HA -0.287 4.454 4.740 0.001 0.000 0.249 328 N C 0.473 175.993 175.510 0.018 0.000 1.119 328 N CA 1.407 54.447 53.050 -0.016 0.000 0.717 328 N CB -1.642 36.836 38.487 -0.015 0.000 1.071 328 N HN 0.695 nan 8.380 nan 0.000 0.555 329 A N -1.641 121.217 122.820 0.064 0.000 2.832 329 A HA -0.271 4.049 4.320 0.001 0.000 0.280 329 A C 0.806 178.428 177.584 0.064 0.000 1.464 329 A CA 1.503 53.622 52.037 0.136 0.000 0.804 329 A CB -1.888 17.164 19.000 0.088 0.000 1.020 329 A HN 0.928 nan 8.150 nan 0.000 0.563 330 S N -0.599 115.141 115.700 0.065 0.000 2.579 330 S HA 0.446 4.917 4.470 0.001 0.000 0.275 330 S C 1.444 176.032 174.600 -0.020 0.000 1.345 330 S CA 0.894 59.096 58.200 0.003 0.000 1.031 330 S CB 0.590 63.813 63.200 0.038 0.000 0.892 330 S HN 1.552 nan 8.310 nan 0.000 0.529 331 T N 0.234 114.710 114.554 -0.130 0.000 3.084 331 T HA 0.230 4.580 4.350 0.001 0.000 0.270 331 T C 0.321 175.002 174.700 -0.032 0.000 1.008 331 T CA -0.337 61.663 62.100 -0.166 0.000 0.900 331 T CB -0.316 68.342 68.868 -0.349 0.000 1.084 331 T HN 0.518 nan 8.240 nan 0.000 0.538 332 T N 3.835 118.389 114.554 0.001 0.000 2.853 332 T HA 0.189 4.539 4.350 0.001 0.000 0.298 332 T C -0.204 174.538 174.700 0.070 0.000 0.978 332 T CA -0.115 61.999 62.100 0.023 0.000 1.152 332 T CB 0.295 69.181 68.868 0.029 0.000 0.914 332 T HN 0.255 nan 8.240 nan 0.000 0.539 333 D N 1.866 122.301 120.400 0.059 0.000 2.455 333 D HA 0.396 5.037 4.640 0.001 0.000 0.241 333 D C 1.388 177.802 176.300 0.190 0.000 1.138 333 D CA 1.329 55.403 54.000 0.123 0.000 0.877 333 D CB 0.502 41.310 40.800 0.014 0.000 1.187 333 D HN 0.807 nan 8.370 nan 0.000 0.451 334 G N 1.643 110.598 108.800 0.258 0.000 2.194 334 G HA2 -0.259 3.701 3.960 0.001 0.000 0.236 334 G HA3 -0.259 3.701 3.960 0.001 0.000 0.236 334 G C 0.523 175.512 174.900 0.148 0.000 0.987 334 G CA 0.139 45.357 45.100 0.197 0.000 0.635 334 G HN 0.576 nan 8.290 nan 0.000 0.520 335 T N 1.570 116.214 114.554 0.149 0.000 2.799 335 T HA 0.420 4.770 4.350 0.001 0.000 0.296 335 T C 0.411 175.193 174.700 0.138 0.000 0.947 335 T CA 0.393 62.569 62.100 0.127 0.000 1.141 335 T CB 1.439 70.382 68.868 0.125 0.000 0.891 335 T HN 0.537 nan 8.240 nan 0.000 0.533 336 Q N 3.452 123.321 119.800 0.114 0.000 2.304 336 Q HA 0.372 4.712 4.340 0.001 0.000 0.260 336 Q C 0.188 176.254 176.000 0.110 0.000 0.965 336 Q CA -0.811 55.057 55.803 0.108 0.000 0.898 336 Q CB 0.649 29.441 28.738 0.090 0.000 1.196 336 Q HN 0.647 nan 8.270 nan 0.000 0.402 337 V N 1.761 121.737 119.914 0.104 0.000 3.051 337 V HA 0.332 4.452 4.120 0.001 0.000 0.306 337 V C -0.322 175.826 176.094 0.090 0.000 1.083 337 V CA -0.256 62.108 62.300 0.106 0.000 1.104 337 V CB 1.040 32.896 31.823 0.055 0.000 1.027 337 V HN 1.005 nan 8.190 nan 0.000 0.483 338 Q N 2.345 122.215 119.800 0.116 0.000 2.687 338 Q HA 0.680 5.021 4.340 0.001 0.000 0.305 338 Q C -1.618 174.486 176.000 0.173 0.000 1.006 338 Q CA -1.154 54.729 55.803 0.134 0.000 0.763 338 Q CB 2.260 31.084 28.738 0.143 0.000 1.506 338 Q HN 0.710 nan 8.270 nan 0.000 0.459 339 L N 1.407 122.745 121.223 0.193 0.000 2.307 339 L HA 0.628 4.969 4.340 0.001 0.000 0.282 339 L C -1.340 175.698 176.870 0.281 0.000 1.051 339 L CA -0.800 54.167 54.840 0.212 0.000 0.804 339 L CB 1.082 43.232 42.059 0.152 0.000 1.197 339 L HN 0.662 nan 8.230 nan 0.000 0.431 340 Y N 1.308 121.681 120.300 0.122 0.000 2.558 340 Y HA 0.187 4.737 4.550 0.001 0.000 0.333 340 Y C -0.659 175.326 175.900 0.142 0.000 1.125 340 Y CA -1.205 56.971 58.100 0.127 0.000 1.039 340 Y CB 1.623 40.179 38.460 0.159 0.000 1.331 340 Y HN 0.560 nan 8.280 nan 0.000 0.456 341 D N 3.132 123.260 120.400 -0.455 0.000 2.658 341 D HA -0.039 4.601 4.640 0.001 0.000 0.230 341 D C -0.096 176.334 176.300 0.216 0.000 1.118 341 D CA 0.855 54.758 54.000 -0.161 0.000 0.848 341 D CB 0.383 40.996 40.800 -0.311 0.000 1.160 341 D HN 0.474 nan 8.370 nan 0.000 0.497 342 c N 4.745 123.447 118.600 0.170 0.000 2.653 342 c HA 0.231 4.801 4.570 0.001 0.000 0.421 342 c C 0.633 174.887 174.090 0.274 0.000 1.334 342 c CA -0.203 56.242 56.329 0.193 0.000 1.885 342 c CB -0.880 41.692 42.510 0.104 0.000 2.645 342 c HN 0.700 nan 8.230 nan 0.000 0.601 343 H N -0.514 118.617 119.070 0.100 0.000 3.068 343 H HA 0.359 4.916 4.556 0.001 0.000 0.342 343 H C -0.828 174.538 175.328 0.064 0.000 1.284 343 H CA -0.520 55.576 56.048 0.080 0.000 1.181 343 H CB 0.652 30.474 29.762 0.100 0.000 1.898 343 H HN 0.570 nan 8.280 nan 0.000 0.540 344 S N 1.519 117.262 115.700 0.070 0.000 2.509 344 S HA 0.572 5.043 4.470 0.001 0.000 0.287 344 S C 0.230 174.815 174.600 -0.025 0.000 1.248 344 S CA 0.139 58.339 58.200 0.000 0.000 1.089 344 S CB -0.259 62.963 63.200 0.037 0.000 0.900 344 S HN 1.171 nan 8.310 nan 0.000 0.496 345 A N 2.912 125.665 122.820 -0.112 0.000 2.590 345 A HA 0.594 4.914 4.320 0.001 0.000 0.296 345 A C 0.746 178.251 177.584 -0.130 0.000 1.050 345 A CA -0.346 51.634 52.037 -0.094 0.000 0.697 345 A CB -0.022 18.890 19.000 -0.147 0.000 1.277 345 A HN 1.191 nan 8.150 nan 0.000 0.411 346 T N -0.534 113.973 114.554 -0.079 0.000 2.867 346 T HA -0.138 4.213 4.350 0.001 0.000 0.268 346 T C 1.155 175.659 174.700 -0.327 0.000 1.057 346 T CA 1.687 63.707 62.100 -0.133 0.000 1.136 346 T CB -0.571 68.309 68.868 0.019 0.000 0.874 346 T HN 0.949 nan 8.240 nan 0.000 0.466 347 N N 1.196 119.773 118.700 -0.204 0.000 2.626 347 N HA -0.070 4.671 4.740 0.001 0.000 0.193 347 N C 1.164 176.454 175.510 -0.366 0.000 1.213 347 N CA 0.401 53.251 53.050 -0.333 0.000 0.914 347 N CB -0.240 38.242 38.487 -0.007 0.000 0.994 347 N HN 0.600 nan 8.380 nan 0.000 0.447 348 Q N -0.909 118.677 119.800 -0.356 0.000 2.113 348 Q HA 0.183 4.523 4.340 0.001 0.000 0.225 348 Q C -0.598 175.270 176.000 -0.221 0.000 0.786 348 Q CA -0.210 55.484 55.803 -0.182 0.000 0.989 348 Q CB 0.803 29.458 28.738 -0.138 0.000 1.174 348 Q HN 0.250 nan 8.270 nan 0.000 0.470 349 Q N 0.159 119.686 119.800 -0.455 0.000 2.398 349 Q HA 0.181 4.522 4.340 0.001 0.000 0.251 349 Q C -1.319 174.377 176.000 -0.507 0.000 0.999 349 Q CA 0.184 55.796 55.803 -0.318 0.000 0.874 349 Q CB 0.518 29.119 28.738 -0.228 0.000 1.215 349 Q HN 0.111 nan 8.270 nan 0.000 0.470 350 W N 1.281 122.508 121.300 -0.120 0.000 2.520 350 W HA 0.411 5.071 4.660 0.001 0.000 0.323 350 W C 0.122 176.609 176.519 -0.053 0.000 1.062 350 W CA -0.513 56.764 57.345 -0.113 0.000 1.215 350 W CB 1.505 30.878 29.460 -0.145 0.000 1.340 350 W HN 0.172 nan 8.180 nan 0.000 0.516 351 T N 2.694 117.352 114.554 0.174 0.000 2.797 351 T HA 0.201 4.552 4.350 0.001 0.000 0.279 351 T C -1.553 173.269 174.700 0.204 0.000 0.991 351 T CA -0.474 61.711 62.100 0.141 0.000 0.979 351 T CB 0.578 69.485 68.868 0.064 0.000 0.943 351 T HN 0.178 nan 8.240 nan 0.000 0.444 352 Y N 4.031 124.367 120.300 0.060 0.000 2.367 352 Y HA 0.426 4.977 4.550 0.001 0.000 0.342 352 Y C 0.820 176.750 175.900 0.050 0.000 0.979 352 Y CA -0.929 57.204 58.100 0.055 0.000 1.161 352 Y CB 0.360 38.840 38.460 0.034 0.000 1.155 352 Y HN 0.719 nan 8.280 nan 0.000 0.503 353 T N 0.992 115.371 114.554 -0.291 0.000 2.918 353 T HA 0.180 4.530 4.350 0.001 0.000 0.283 353 T C 0.750 175.224 174.700 -0.377 0.000 1.001 353 T CA -0.727 61.235 62.100 -0.231 0.000 1.041 353 T CB 1.056 69.844 68.868 -0.134 0.000 1.028 353 T HN 0.583 nan 8.240 nan 0.000 0.511 354 D N 1.090 121.381 120.400 -0.181 0.000 2.265 354 D HA -0.064 4.576 4.640 0.001 0.000 0.208 354 D C 2.009 178.217 176.300 -0.154 0.000 0.977 354 D CA 1.350 55.269 54.000 -0.135 0.000 0.871 354 D CB -0.447 40.325 40.800 -0.046 0.000 0.925 354 D HN 0.774 nan 8.370 nan 0.000 0.485 355 A N -0.231 122.488 122.820 -0.169 0.000 2.208 355 A HA 0.367 4.688 4.320 0.001 0.000 0.209 355 A C 1.804 179.275 177.584 -0.189 0.000 1.161 355 A CA 1.105 53.061 52.037 -0.134 0.000 0.782 355 A CB -0.077 18.863 19.000 -0.100 0.000 0.816 355 A HN 0.260 nan 8.150 nan 0.000 0.477 356 G N -0.609 107.965 108.800 -0.378 0.000 2.131 356 G HA2 -0.192 3.769 3.960 0.001 0.000 0.223 356 G HA3 -0.192 3.769 3.960 0.001 0.000 0.223 356 G C -0.233 174.589 174.900 -0.131 0.000 0.990 356 G CA 0.204 45.074 45.100 -0.383 0.000 0.671 356 G HN 0.620 nan 8.290 nan 0.000 0.521 357 E N -0.593 119.519 120.200 -0.147 0.000 2.283 357 E HA 0.669 5.020 4.350 0.001 0.000 0.271 357 E C 0.146 176.861 176.600 0.192 0.000 1.031 357 E CA -0.643 55.822 56.400 0.108 0.000 0.868 357 E CB 1.433 31.163 29.700 0.049 0.000 1.094 357 E HN 0.201 nan 8.360 nan 0.000 0.401 358 L N 2.914 124.312 121.223 0.293 0.000 2.313 358 L HA 0.366 4.706 4.340 0.001 0.000 0.273 358 L C -0.126 176.957 176.870 0.356 0.000 1.028 358 L CA -0.365 54.627 54.840 0.254 0.000 0.871 358 L CB 0.524 42.544 42.059 -0.066 0.000 1.242 358 L HN 0.306 nan 8.230 nan 0.000 0.434 359 R N 1.912 122.567 120.500 0.258 0.000 2.457 359 R HA 0.650 4.991 4.340 0.001 0.000 0.284 359 R C -0.819 175.451 176.300 -0.050 0.000 1.024 359 R CA -0.572 55.611 56.100 0.140 0.000 1.025 359 R CB 2.678 33.018 30.300 0.066 0.000 1.063 359 R HN 0.265 nan 8.270 nan 0.000 0.493 360 V N 3.654 123.408 119.914 -0.265 0.000 2.841 360 V HA 0.231 4.351 4.120 0.001 0.000 0.310 360 V C -0.963 174.872 176.094 -0.431 0.000 1.090 360 V CA -0.418 61.442 62.300 -0.734 0.000 0.930 360 V CB 1.212 32.130 31.823 -1.509 0.000 1.014 360 V HN 0.922 nan 8.190 nan 0.000 0.425 361 Y N 4.086 124.244 120.300 -0.236 0.000 4.916 361 Y HA -0.230 4.320 4.550 0.001 0.000 0.247 361 Y C 1.689 177.534 175.900 -0.091 0.000 0.962 361 Y CA 1.599 59.611 58.100 -0.145 0.000 1.933 361 Y CB -1.925 36.461 38.460 -0.124 0.000 1.451 361 Y HN 1.701 nan 8.280 nan 0.000 0.539 362 G N -0.741 108.074 108.800 0.024 0.000 2.420 362 G HA2 -0.348 3.612 3.960 0.001 0.000 0.221 362 G HA3 -0.348 3.612 3.960 0.001 0.000 0.221 362 G C 0.455 175.379 174.900 0.040 0.000 1.117 362 G CA 0.576 45.691 45.100 0.026 0.000 0.657 362 G HN 0.488 nan 8.290 nan 0.000 0.512 363 D N 0.205 120.644 120.400 0.065 0.000 2.620 363 D HA 0.420 5.061 4.640 0.001 0.000 0.260 363 D C 0.208 176.561 176.300 0.089 0.000 1.367 363 D CA -0.065 53.974 54.000 0.065 0.000 0.805 363 D CB 0.287 41.115 40.800 0.048 0.000 1.096 363 D HN 0.223 nan 8.370 nan 0.000 0.488 364 K N -0.207 120.259 120.400 0.110 0.000 2.221 364 K HA 0.575 4.895 4.320 0.001 0.000 0.258 364 K C -1.248 175.448 176.600 0.160 0.000 0.944 364 K CA -0.479 55.896 56.287 0.147 0.000 0.823 364 K CB 1.575 34.205 32.500 0.217 0.000 1.113 364 K HN -0.043 nan 8.250 nan 0.000 0.431 365 c N 3.286 122.024 118.600 0.230 0.000 2.417 365 c HA 0.429 5.000 4.570 0.001 0.000 0.324 365 c C -0.608 173.696 174.090 0.357 0.000 1.240 365 c CA -1.135 55.363 56.329 0.281 0.000 1.632 365 c CB 0.668 43.324 42.510 0.243 0.000 2.241 365 c HN 0.771 nan 8.230 nan 0.000 0.499 366 L N 4.416 125.866 121.223 0.378 0.000 2.559 366 L HA 0.226 4.567 4.340 0.001 0.000 0.274 366 L C 0.087 177.236 176.870 0.465 0.000 1.205 366 L CA 1.425 56.419 54.840 0.256 0.000 0.907 366 L CB -0.046 41.864 42.059 -0.248 0.000 1.153 366 L HN 0.685 nan 8.230 nan 0.000 0.490 367 D N 4.480 125.118 120.400 0.397 0.000 2.787 367 D HA 0.513 5.153 4.640 0.001 0.000 0.246 367 D C -1.410 175.073 176.300 0.304 0.000 1.150 367 D CA -0.476 53.742 54.000 0.363 0.000 0.864 367 D CB 2.093 43.081 40.800 0.315 0.000 1.481 367 D HN 0.687 nan 8.370 nan 0.000 0.509 368 A N 2.429 125.386 122.820 0.228 0.000 2.260 368 A HA 0.621 4.941 4.320 0.001 0.000 0.308 368 A C 0.196 177.813 177.584 0.056 0.000 1.254 368 A CA -0.440 51.688 52.037 0.152 0.000 0.874 368 A CB 0.948 19.993 19.000 0.075 0.000 1.153 368 A HN 0.549 nan 8.150 nan 0.000 0.527 369 A N 2.810 125.662 122.820 0.053 0.000 3.168 369 A HA 0.609 4.930 4.320 0.001 0.000 0.260 369 A C 0.885 178.475 177.584 0.011 0.000 1.598 369 A CA 0.516 52.561 52.037 0.013 0.000 1.285 369 A CB -1.143 17.868 19.000 0.018 0.000 1.149 369 A HN 2.514 nan 8.150 nan 0.000 0.630 370 G N -0.769 108.032 108.800 0.002 0.000 2.359 370 G HA2 0.306 4.267 3.960 0.001 0.000 0.303 370 G HA3 0.306 4.267 3.960 0.001 0.000 0.303 370 G C 0.125 175.016 174.900 -0.015 0.000 1.293 370 G CA 0.352 45.450 45.100 -0.004 0.000 0.964 370 G HN 1.108 nan 8.290 nan 0.000 0.531 371 T N -2.491 112.050 114.554 -0.022 0.000 3.058 371 T HA 0.595 4.946 4.350 0.001 0.000 0.278 371 T C 1.003 175.678 174.700 -0.041 0.000 0.974 371 T CA 1.229 63.307 62.100 -0.037 0.000 0.893 371 T CB 0.707 69.549 68.868 -0.044 0.000 1.138 371 T HN 1.786 nan 8.240 nan 0.000 0.529 372 G N 1.038 109.818 108.800 -0.035 0.000 2.491 372 G HA2 0.526 4.487 3.960 0.001 0.000 0.327 372 G HA3 0.526 4.487 3.960 0.001 0.000 0.327 372 G C -0.494 174.363 174.900 -0.071 0.000 1.189 372 G CA -0.847 44.218 45.100 -0.058 0.000 0.956 372 G HN 0.200 nan 8.290 nan 0.000 0.491 373 N N -0.364 118.241 118.700 -0.158 0.000 2.353 373 N HA 0.211 4.951 4.740 0.001 0.000 0.248 373 N C 1.384 176.883 175.510 -0.017 0.000 1.240 373 N CA 1.613 54.522 53.050 -0.236 0.000 0.862 373 N CB 1.099 39.208 38.487 -0.630 0.000 1.086 373 N HN 1.165 nan 8.380 nan 0.000 0.453 374 G N 0.751 109.625 108.800 0.124 0.000 2.217 374 G HA2 -0.296 3.665 3.960 0.001 0.000 0.246 374 G HA3 -0.296 3.665 3.960 0.001 0.000 0.246 374 G C 0.262 175.221 174.900 0.098 0.000 0.990 374 G CA 0.433 45.617 45.100 0.141 0.000 0.627 374 G HN 0.641 nan 8.290 nan 0.000 0.522 375 T N 2.542 117.142 114.554 0.075 0.000 2.933 375 T HA 0.328 4.678 4.350 0.001 0.000 0.306 375 T C 0.747 175.501 174.700 0.091 0.000 1.045 375 T CA 0.561 62.701 62.100 0.068 0.000 1.143 375 T CB 0.640 69.541 68.868 0.055 0.000 1.003 375 T HN 0.407 nan 8.240 nan 0.000 0.540 376 K N 2.144 122.593 120.400 0.082 0.000 2.298 376 K HA 0.351 4.672 4.320 0.001 0.000 0.280 376 K C -0.501 176.163 176.600 0.106 0.000 1.032 376 K CA -0.511 55.829 56.287 0.089 0.000 0.958 376 K CB 0.838 33.385 32.500 0.079 0.000 0.978 376 K HN 0.269 nan 8.250 nan 0.000 0.472 377 V N 4.533 124.508 119.914 0.102 0.000 2.370 377 V HA 0.165 4.286 4.120 0.001 0.000 0.283 377 V C 0.218 176.368 176.094 0.093 0.000 1.023 377 V CA -0.353 62.011 62.300 0.106 0.000 0.857 377 V CB 0.927 32.766 31.823 0.027 0.000 0.985 377 V HN 0.857 nan 8.190 nan 0.000 0.443 378 Q N 5.708 125.591 119.800 0.139 0.000 3.019 378 Q HA 0.683 5.023 4.340 0.001 0.000 0.337 378 Q C -1.056 175.083 176.000 0.231 0.000 0.900 378 Q CA -0.954 54.949 55.803 0.167 0.000 0.800 378 Q CB 2.587 31.427 28.738 0.169 0.000 1.437 378 Q HN 0.651 nan 8.270 nan 0.000 0.505 379 I N -1.790 118.938 120.570 0.264 0.000 2.525 379 I HA 0.776 4.947 4.170 0.001 0.000 0.301 379 I C -1.353 174.982 176.117 0.363 0.000 0.992 379 I CA -0.997 60.488 61.300 0.309 0.000 1.162 379 I CB 1.655 39.823 38.000 0.280 0.000 1.332 379 I HN 0.707 nan 8.210 nan 0.000 0.458 380 Y N 2.275 122.697 120.300 0.203 0.000 2.592 380 Y HA 0.392 4.943 4.550 0.001 0.000 0.334 380 Y C -0.440 175.585 175.900 0.209 0.000 1.136 380 Y CA -0.702 57.514 58.100 0.194 0.000 1.042 380 Y CB 2.053 40.645 38.460 0.221 0.000 1.325 380 Y HN 0.790 nan 8.280 nan 0.000 0.457 381 S N 2.233 117.742 115.700 -0.318 0.000 2.561 381 S HA 0.040 4.511 4.470 0.001 0.000 0.294 381 S C -0.444 174.289 174.600 0.221 0.000 1.294 381 S CA -0.058 58.080 58.200 -0.103 0.000 1.055 381 S CB -0.269 62.774 63.200 -0.262 0.000 0.819 381 S HN 0.624 nan 8.310 nan 0.000 0.503 382 c N 5.137 123.859 118.600 0.205 0.000 2.585 382 c HA 0.317 4.887 4.570 0.001 0.000 0.406 382 c C 1.392 175.670 174.090 0.315 0.000 1.312 382 c CA -0.519 55.948 56.329 0.229 0.000 1.924 382 c CB -0.863 41.724 42.510 0.129 0.000 2.578 382 c HN 1.088 nan 8.230 nan 0.000 0.580 383 W N 0.992 122.357 121.300 0.108 0.000 1.526 383 W HA 0.362 5.023 4.660 0.001 0.000 0.218 383 W C 0.674 177.231 176.519 0.063 0.000 0.797 383 W CA 0.178 57.573 57.345 0.084 0.000 0.997 383 W CB -0.807 28.720 29.460 0.111 0.000 0.926 383 W HN 0.929 nan 8.180 nan 0.000 0.483 384 G N 1.450 110.004 108.800 -0.411 0.000 2.157 384 G HA2 -0.154 3.807 3.960 0.001 0.000 0.239 384 G HA3 -0.154 3.807 3.960 0.001 0.000 0.239 384 G C 0.609 175.035 174.900 -0.789 0.000 0.982 384 G CA -0.110 44.730 45.100 -0.433 0.000 0.650 384 G HN 0.666 nan 8.290 nan 0.000 0.527 385 G N -0.334 107.430 108.800 -1.727 0.000 2.544 385 G HA2 0.416 4.376 3.960 0.001 0.000 0.242 385 G HA3 0.416 4.376 3.960 0.001 0.000 0.242 385 G C 0.593 175.089 174.900 -0.673 0.000 1.247 385 G CA 0.448 44.635 45.100 -1.523 0.000 0.840 385 G HN 0.063 nan 8.290 nan 0.000 0.578 386 D N 0.068 120.225 120.400 -0.404 0.000 2.310 386 D HA -0.123 4.517 4.640 0.001 0.000 0.212 386 D C 2.096 178.173 176.300 -0.371 0.000 0.965 386 D CA 0.791 54.602 54.000 -0.316 0.000 0.879 386 D CB 0.160 40.837 40.800 -0.206 0.000 0.921 386 D HN 0.582 nan 8.370 nan 0.000 0.510 387 N N 0.185 118.693 118.700 -0.319 0.000 2.461 387 N HA -0.098 4.643 4.740 0.001 0.000 0.188 387 N C 0.707 176.012 175.510 -0.342 0.000 1.134 387 N CA 0.273 53.140 53.050 -0.305 0.000 0.878 387 N CB 0.071 38.489 38.487 -0.116 0.000 0.972 387 N HN 0.259 nan 8.380 nan 0.000 0.456 388 Q N -0.281 119.293 119.800 -0.377 0.000 2.139 388 Q HA 0.256 4.596 4.340 0.001 0.000 0.219 388 Q C -0.564 175.276 176.000 -0.266 0.000 0.805 388 Q CA -0.062 55.630 55.803 -0.184 0.000 1.024 388 Q CB 0.975 29.618 28.738 -0.158 0.000 1.163 388 Q HN 0.257 nan 8.270 nan 0.000 0.485 389 K N 0.382 120.425 120.400 -0.596 0.000 2.270 389 K HA 0.461 4.782 4.320 0.001 0.000 0.255 389 K C -1.457 174.698 176.600 -0.742 0.000 0.936 389 K CA -0.408 55.613 56.287 -0.442 0.000 0.809 389 K CB 1.351 33.678 32.500 -0.288 0.000 1.131 389 K HN -0.100 nan 8.250 nan 0.000 0.427 390 W N 1.297 122.620 121.300 0.040 0.000 2.936 390 W HA 0.479 5.139 4.660 0.001 0.000 0.338 390 W C -0.273 176.322 176.519 0.127 0.000 1.121 390 W CA -0.846 56.534 57.345 0.057 0.000 1.209 390 W CB 1.083 30.558 29.460 0.026 0.000 1.420 390 W HN 0.182 nan 8.180 nan 0.000 0.516 391 R N 2.135 122.783 120.500 0.246 0.000 2.346 391 R HA 0.524 4.864 4.340 0.001 0.000 0.311 391 R C -0.716 175.625 176.300 0.067 0.000 0.983 391 R CA -0.936 55.252 56.100 0.146 0.000 0.880 391 R CB 1.163 31.510 30.300 0.078 0.000 1.100 391 R HN 0.424 nan 8.270 nan 0.000 0.453 392 L N 3.962 125.155 121.223 -0.051 0.000 2.315 392 L HA 0.247 4.587 4.340 0.001 0.000 0.278 392 L C -0.072 176.757 176.870 -0.069 0.000 1.088 392 L CA -0.716 54.038 54.840 -0.143 0.000 0.899 392 L CB 0.043 41.882 42.059 -0.366 0.000 1.277 392 L HN 0.416 nan 8.230 nan 0.000 0.431 393 N N 0.974 119.665 118.700 -0.016 0.000 2.454 393 N HA -0.045 4.696 4.740 0.001 0.000 0.254 393 N C 1.315 176.816 175.510 -0.015 0.000 1.228 393 N CA 0.154 53.202 53.050 -0.003 0.000 0.900 393 N CB 1.469 39.970 38.487 0.023 0.000 1.089 393 N HN 0.549 nan 8.380 nan 0.000 0.449 394 S N 0.139 115.826 115.700 -0.021 0.000 2.469 394 S HA -0.167 4.304 4.470 0.001 0.000 0.238 394 S C 0.880 175.472 174.600 -0.014 0.000 0.998 394 S CA 0.892 59.078 58.200 -0.024 0.000 0.957 394 S CB -0.110 63.073 63.200 -0.029 0.000 0.764 394 S HN 0.689 nan 8.310 nan 0.000 0.514 395 D N 0.429 120.826 120.400 -0.005 0.000 2.336 395 D HA 0.209 4.850 4.640 0.001 0.000 0.229 395 D C 1.404 177.706 176.300 0.003 0.000 1.061 395 D CA 0.621 54.619 54.000 -0.004 0.000 0.875 395 D CB -0.596 40.203 40.800 -0.001 0.000 0.904 395 D HN 0.582 nan 8.370 nan 0.000 0.525 396 G N 0.275 109.085 108.800 0.016 0.000 2.195 396 G HA2 -0.278 3.682 3.960 0.001 0.000 0.246 396 G HA3 -0.278 3.682 3.960 0.001 0.000 0.246 396 G C 0.366 175.345 174.900 0.131 0.000 0.984 396 G CA 0.344 45.472 45.100 0.047 0.000 0.633 396 G HN 0.802 nan 8.290 nan 0.000 0.525 397 S N -0.088 115.677 115.700 0.108 0.000 2.586 397 S HA 0.763 5.233 4.470 0.001 0.000 0.274 397 S C -0.001 174.679 174.600 0.133 0.000 1.281 397 S CA -0.634 57.669 58.200 0.172 0.000 1.035 397 S CB 1.997 65.264 63.200 0.112 0.000 0.962 397 S HN 0.578 nan 8.310 nan 0.000 0.512 398 I N 2.374 123.028 120.570 0.141 0.000 2.389 398 I HA 0.383 4.553 4.170 0.001 0.000 0.288 398 I C -1.041 175.173 176.117 0.161 0.000 0.999 398 I CA -0.917 60.405 61.300 0.038 0.000 1.129 398 I CB 1.869 39.728 38.000 -0.235 0.000 1.288 398 I HN 0.432 nan 8.210 nan 0.000 0.444 399 V N 4.782 124.819 119.914 0.206 0.000 2.555 399 V HA 0.527 4.648 4.120 0.001 0.000 0.302 399 V C 0.680 176.898 176.094 0.207 0.000 1.038 399 V CA -0.752 61.673 62.300 0.208 0.000 0.887 399 V CB 1.705 33.583 31.823 0.092 0.000 0.991 399 V HN 0.856 nan 8.190 nan 0.000 0.434 400 G N 2.337 111.182 108.800 0.076 0.000 2.378 400 G HA2 0.367 4.327 3.960 0.001 0.000 0.255 400 G HA3 0.367 4.327 3.960 0.001 0.000 0.255 400 G C 0.919 175.637 174.900 -0.303 0.000 1.270 400 G CA -0.232 44.613 45.100 -0.426 0.000 0.876 400 G HN 0.556 nan 8.290 nan 0.000 0.521 401 V N 2.088 121.778 119.914 -0.374 0.000 2.295 401 V HA -0.262 3.859 4.120 0.001 0.000 0.246 401 V C 2.868 178.837 176.094 -0.210 0.000 1.049 401 V CA 2.483 64.637 62.300 -0.244 0.000 1.024 401 V CB -0.636 31.043 31.823 -0.240 0.000 0.648 401 V HN 0.888 nan 8.190 nan 0.000 0.447 402 Q N 0.219 119.870 119.800 -0.249 0.000 2.046 402 Q HA -0.199 4.141 4.340 0.001 0.000 0.200 402 Q C 2.386 178.305 176.000 -0.135 0.000 0.975 402 Q CA 2.340 58.039 55.803 -0.173 0.000 0.836 402 Q CB -0.156 28.476 28.738 -0.177 0.000 0.896 402 Q HN 0.747 nan 8.270 nan 0.000 0.428 403 S N -1.583 114.025 115.700 -0.153 0.000 2.446 403 S HA 0.120 4.590 4.470 0.001 0.000 0.225 403 S C 1.458 176.010 174.600 -0.079 0.000 1.016 403 S CA 0.754 58.894 58.200 -0.101 0.000 0.943 403 S CB 0.114 63.261 63.200 -0.087 0.000 0.786 403 S HN 0.720 nan 8.310 nan 0.000 0.508 404 G N 1.042 109.790 108.800 -0.087 0.000 2.153 404 G HA2 -0.218 3.743 3.960 0.001 0.000 0.252 404 G HA3 -0.218 3.743 3.960 0.001 0.000 0.252 404 G C -0.093 174.796 174.900 -0.019 0.000 0.994 404 G CA 0.683 45.750 45.100 -0.057 0.000 0.698 404 G HN 0.571 nan 8.290 nan 0.000 0.521 405 L N -0.871 120.352 121.223 0.001 0.000 2.334 405 L HA 0.620 4.960 4.340 0.001 0.000 0.270 405 L C 0.818 177.765 176.870 0.128 0.000 1.018 405 L CA -1.224 53.645 54.840 0.050 0.000 0.811 405 L CB 1.678 43.758 42.059 0.034 0.000 1.271 405 L HN 0.160 nan 8.230 nan 0.000 0.443 406 c N 1.493 120.188 118.600 0.158 0.000 2.398 406 c HA 0.401 4.972 4.570 0.001 0.000 0.364 406 c C 0.531 174.759 174.090 0.230 0.000 1.219 406 c CA -0.754 55.694 56.329 0.199 0.000 2.312 406 c CB 0.833 43.452 42.510 0.182 0.000 2.428 406 c HN 0.517 nan 8.230 nan 0.000 0.564 407 L N 3.323 124.673 121.223 0.211 0.000 2.455 407 L HA 0.210 4.551 4.340 0.001 0.000 0.272 407 L C 0.155 177.227 176.870 0.336 0.000 1.174 407 L CA 0.994 55.919 54.840 0.141 0.000 0.869 407 L CB 0.151 42.083 42.059 -0.212 0.000 1.130 407 L HN 0.684 nan 8.230 nan 0.000 0.474 408 D N 3.050 123.616 120.400 0.276 0.000 2.936 408 D HA 0.331 4.972 4.640 0.001 0.000 0.238 408 D C -0.875 175.532 176.300 0.179 0.000 1.248 408 D CA -0.473 53.662 54.000 0.225 0.000 0.903 408 D CB 2.180 43.084 40.800 0.175 0.000 1.544 408 D HN 0.507 nan 8.370 nan 0.000 0.543 409 A N 3.742 126.637 122.820 0.125 0.000 2.395 409 A HA 0.357 4.678 4.320 0.001 0.000 0.286 409 A C 0.566 178.162 177.584 0.021 0.000 1.193 409 A CA -0.410 51.675 52.037 0.081 0.000 0.852 409 A CB 0.050 19.052 19.000 0.003 0.000 1.118 409 A HN 0.448 nan 8.150 nan 0.000 0.524 410 V N 3.149 123.085 119.914 0.038 0.000 2.644 410 V HA 0.140 4.260 4.120 0.001 0.000 0.303 410 V C 1.742 177.822 176.094 -0.024 0.000 1.058 410 V CA 1.802 64.108 62.300 0.010 0.000 1.228 410 V CB -0.701 31.143 31.823 0.035 0.000 0.861 410 V HN 1.905 nan 8.190 nan 0.000 0.484 411 G N 3.932 112.693 108.800 -0.065 0.000 2.187 411 G HA2 -0.050 3.911 3.960 0.001 0.000 0.261 411 G HA3 -0.050 3.911 3.960 0.001 0.000 0.261 411 G C 1.118 175.975 174.900 -0.073 0.000 1.000 411 G CA 0.607 45.664 45.100 -0.072 0.000 0.718 411 G HN 2.501 nan 8.290 nan 0.000 0.519 412 G N -1.482 107.270 108.800 -0.080 0.000 2.160 412 G HA2 0.183 4.143 3.960 0.001 0.000 0.251 412 G HA3 0.183 4.143 3.960 0.001 0.000 0.251 412 G C 1.295 176.155 174.900 -0.066 0.000 1.008 412 G CA 0.892 45.941 45.100 -0.085 0.000 0.724 412 G HN 2.120 nan 8.290 nan 0.000 0.514 413 G N -0.945 107.829 108.800 -0.043 0.000 2.554 413 G HA2 0.525 4.485 3.960 0.001 0.000 0.238 413 G HA3 0.525 4.485 3.960 0.001 0.000 0.238 413 G C 1.056 175.934 174.900 -0.037 0.000 1.259 413 G CA 1.039 46.121 45.100 -0.029 0.000 0.843 413 G HN 1.312 nan 8.290 nan 0.000 0.582 414 T N -1.928 112.605 114.554 -0.035 0.000 2.975 414 T HA 0.547 4.898 4.350 0.001 0.000 0.261 414 T C 1.112 175.794 174.700 -0.029 0.000 0.984 414 T CA 0.649 62.723 62.100 -0.044 0.000 0.911 414 T CB 0.195 69.028 68.868 -0.058 0.000 1.127 414 T HN 0.907 nan 8.240 nan 0.000 0.514 415 A N 2.248 125.058 122.820 -0.017 0.000 2.346 415 A HA 0.496 4.816 4.320 0.001 0.000 0.252 415 A C 0.358 177.948 177.584 0.009 0.000 1.089 415 A CA -0.574 51.455 52.037 -0.013 0.000 0.797 415 A CB -0.050 18.948 19.000 -0.003 0.000 1.047 415 A HN 0.413 nan 8.150 nan 0.000 0.494 416 N N -0.176 118.519 118.700 -0.009 0.000 2.454 416 N HA 0.294 5.035 4.740 0.001 0.000 0.254 416 N C 1.187 176.789 175.510 0.153 0.000 1.228 416 N CA 1.703 54.788 53.050 0.057 0.000 0.900 416 N CB 0.941 39.411 38.487 -0.029 0.000 1.089 416 N HN 1.247 nan 8.380 nan 0.000 0.449 417 G N 0.818 109.754 108.800 0.226 0.000 2.213 417 G HA2 -0.277 3.683 3.960 0.001 0.000 0.236 417 G HA3 -0.277 3.683 3.960 0.001 0.000 0.236 417 G C 0.191 175.161 174.900 0.116 0.000 0.991 417 G CA 0.254 45.452 45.100 0.163 0.000 0.629 417 G HN 0.611 nan 8.290 nan 0.000 0.517 418 T N 2.499 117.115 114.554 0.103 0.000 2.908 418 T HA 0.437 4.788 4.350 0.001 0.000 0.301 418 T C 0.987 175.744 174.700 0.096 0.000 1.019 418 T CA 0.273 62.421 62.100 0.080 0.000 1.152 418 T CB 0.839 69.743 68.868 0.061 0.000 0.966 418 T HN 0.385 nan 8.240 nan 0.000 0.540 419 L N 3.538 124.810 121.223 0.082 0.000 2.439 419 L HA 0.469 4.809 4.340 0.001 0.000 0.261 419 L C 0.241 177.165 176.870 0.090 0.000 1.153 419 L CA -1.020 53.871 54.840 0.085 0.000 0.808 419 L CB 0.465 42.568 42.059 0.074 0.000 1.126 419 L HN 0.391 nan 8.230 nan 0.000 0.460 420 I N 1.334 121.954 120.570 0.082 0.000 2.441 420 I HA 0.369 4.540 4.170 0.001 0.000 0.295 420 I C -0.111 176.052 176.117 0.078 0.000 0.994 420 I CA -0.337 61.011 61.300 0.080 0.000 1.144 420 I CB 1.514 39.520 38.000 0.011 0.000 1.314 420 I HN 0.736 nan 8.210 nan 0.000 0.445 421 Q N 5.409 125.273 119.800 0.106 0.000 2.683 421 Q HA 0.767 5.107 4.340 0.001 0.000 0.302 421 Q C -1.627 174.472 176.000 0.164 0.000 1.042 421 Q CA -1.035 54.845 55.803 0.128 0.000 0.773 421 Q CB 2.422 31.245 28.738 0.142 0.000 1.508 421 Q HN 0.427 nan 8.270 nan 0.000 0.459 422 L N 0.956 122.285 121.223 0.176 0.000 2.322 422 L HA 0.669 5.010 4.340 0.001 0.000 0.279 422 L C -1.300 175.703 176.870 0.223 0.000 1.036 422 L CA -0.887 54.066 54.840 0.188 0.000 0.807 422 L CB 1.071 43.214 42.059 0.139 0.000 1.226 422 L HN 0.657 nan 8.230 nan 0.000 0.433 423 Y N 0.126 120.473 120.300 0.078 0.000 2.565 423 Y HA 0.164 4.714 4.550 0.001 0.000 0.330 423 Y C -0.143 175.787 175.900 0.050 0.000 1.150 423 Y CA -0.849 57.284 58.100 0.056 0.000 1.055 423 Y CB 1.825 40.316 38.460 0.052 0.000 1.337 423 Y HN 0.528 nan 8.280 nan 0.000 0.457 424 S N 2.697 118.358 115.700 -0.066 0.000 2.784 424 S HA -0.024 4.447 4.470 0.001 0.000 0.322 424 S C -0.209 174.515 174.600 0.206 0.000 1.234 424 S CA 0.068 58.299 58.200 0.053 0.000 1.064 424 S CB -0.626 62.569 63.200 -0.009 0.000 0.787 424 S HN 0.616 nan 8.310 nan 0.000 0.506 425 c N 3.963 122.637 118.600 0.123 0.000 2.611 425 c HA 0.195 4.766 4.570 0.001 0.000 0.416 425 c C 1.872 176.019 174.090 0.095 0.000 1.366 425 c CA -0.013 56.384 56.329 0.112 0.000 1.761 425 c CB -0.607 41.949 42.510 0.077 0.000 2.619 425 c HN 1.030 nan 8.230 nan 0.000 0.606 426 S N 0.765 116.511 115.700 0.077 0.000 2.787 426 S HA 0.103 4.573 4.470 0.001 0.000 0.255 426 S C 0.561 175.169 174.600 0.014 0.000 1.051 426 S CA -0.001 58.227 58.200 0.046 0.000 1.124 426 S CB -0.205 63.018 63.200 0.039 0.000 1.104 426 S HN 0.841 nan 8.310 nan 0.000 0.623 427 N N 1.221 119.927 118.700 0.011 0.000 2.828 427 N HA -0.113 4.628 4.740 0.001 0.000 0.248 427 N C 0.499 175.987 175.510 -0.038 0.000 1.044 427 N CA 0.966 54.010 53.050 -0.011 0.000 0.851 427 N CB -1.639 36.842 38.487 -0.009 0.000 1.136 427 N HN 0.732 nan 8.380 nan 0.000 0.572 428 G N 0.197 108.970 108.800 -0.044 0.000 2.569 428 G HA2 0.289 4.250 3.960 0.001 0.000 0.249 428 G HA3 0.289 4.250 3.960 0.001 0.000 0.249 428 G C 1.037 175.865 174.900 -0.119 0.000 1.216 428 G CA 0.414 45.468 45.100 -0.075 0.000 0.845 428 G HN 0.276 nan 8.290 nan 0.000 0.568 429 S N 0.027 115.644 115.700 -0.140 0.000 2.474 429 S HA -0.143 4.328 4.470 0.001 0.000 0.235 429 S C 1.631 176.051 174.600 -0.300 0.000 0.997 429 S CA 1.058 59.141 58.200 -0.196 0.000 0.949 429 S CB -0.214 62.889 63.200 -0.162 0.000 0.766 429 S HN 0.726 nan 8.310 nan 0.000 0.517 430 N N 0.863 119.408 118.700 -0.258 0.000 2.383 430 N HA 0.035 4.776 4.740 0.001 0.000 0.192 430 N C 0.842 176.154 175.510 -0.330 0.000 1.141 430 N CA 0.070 52.932 53.050 -0.314 0.000 0.851 430 N CB -0.194 38.183 38.487 -0.183 0.000 0.976 430 N HN 0.591 nan 8.380 nan 0.000 0.465 431 Q N -0.533 119.091 119.800 -0.294 0.000 2.127 431 Q HA 0.256 4.596 4.340 0.001 0.000 0.222 431 Q C -0.462 175.418 176.000 -0.199 0.000 0.794 431 Q CA -0.362 55.383 55.803 -0.097 0.000 1.010 431 Q CB 1.105 29.863 28.738 0.033 0.000 1.170 431 Q HN 0.116 nan 8.270 nan 0.000 0.479 432 R N 0.005 120.188 120.500 -0.528 0.000 2.514 432 R HA 0.407 4.747 4.340 0.001 0.000 0.301 432 R C -1.318 174.544 176.300 -0.731 0.000 0.962 432 R CA -0.084 55.783 56.100 -0.389 0.000 0.882 432 R CB 0.877 31.039 30.300 -0.231 0.000 1.143 432 R HN -0.019 nan 8.270 nan 0.000 0.452 433 W N 0.299 121.551 121.300 -0.080 0.000 2.936 433 W HA 0.477 5.137 4.660 0.001 0.000 0.338 433 W C 0.508 176.978 176.519 -0.082 0.000 1.121 433 W CA -0.512 56.779 57.345 -0.091 0.000 1.209 433 W CB 1.455 30.837 29.460 -0.131 0.000 1.420 433 W HN 0.662 nan 8.180 nan 0.000 0.516 434 T N -1.339 113.294 114.554 0.132 0.000 2.551 434 T HA 0.805 5.156 4.350 0.001 0.000 0.249 434 T C -0.840 173.895 174.700 0.059 0.000 0.851 434 T CA -0.910 61.227 62.100 0.061 0.000 1.149 434 T CB 1.531 70.409 68.868 0.016 0.000 1.456 434 T HN 0.177 nan 8.240 nan 0.000 0.514 435 R N 1.251 121.771 120.500 0.033 0.000 2.740 435 R HA 0.677 5.017 4.340 0.001 0.000 0.282 435 R C 0.266 176.584 176.300 0.029 0.000 0.969 435 R CA -0.378 55.741 56.100 0.031 0.000 0.918 435 R CB 1.538 31.849 30.300 0.018 0.000 1.175 435 R HN 1.075 nan 8.270 nan 0.000 0.464 436 T N 0.000 114.575 114.554 0.035 0.000 3.816 436 T HA 0.000 4.351 4.350 0.001 0.000 0.228 436 T CA 0.000 62.118 62.100 0.031 0.000 1.349 436 T CB 0.000 68.891 68.868 0.038 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658