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 2d20_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVSHAF 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 NGGXXXXXXX XXGQIKGVGS 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 0.000 177.578 177.584 -0.010 0.000 1.274 1 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 1 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 2 E N -0.605 119.587 120.200 -0.013 0.000 2.671 2 E HA 0.014 4.364 4.350 0.001 0.000 0.204 2 E C 1.172 177.761 176.600 -0.019 0.000 0.940 2 E CA 0.799 57.186 56.400 -0.021 0.000 1.328 2 E CB 0.630 30.320 29.700 -0.017 0.000 1.214 2 E HN 0.535 nan 8.360 nan 0.000 0.624 3 S N 0.188 115.884 115.700 -0.007 0.000 2.524 3 S HA 0.026 4.496 4.470 0.001 0.000 0.216 3 S C 1.018 175.641 174.600 0.039 0.000 0.987 3 S CA 0.237 58.446 58.200 0.014 0.000 0.909 3 S CB 0.045 63.252 63.200 0.012 0.000 0.781 3 S HN 0.147 nan 8.310 nan 0.000 0.521 4 T N -1.175 113.383 114.554 0.007 0.000 2.916 4 T HA 0.646 4.997 4.350 0.001 0.000 0.292 4 T C 0.949 175.598 174.700 -0.085 0.000 1.055 4 T CA -0.956 61.148 62.100 0.008 0.000 1.009 4 T CB 1.217 70.074 68.868 -0.019 0.000 1.118 4 T HN 0.028 nan 8.240 nan 0.000 0.497 5 L N 1.154 122.271 121.223 -0.177 0.000 1.994 5 L HA 0.076 4.417 4.340 0.001 0.000 0.208 5 L C 3.023 179.834 176.870 -0.099 0.000 1.071 5 L CA 1.874 56.504 54.840 -0.350 0.000 0.745 5 L CB -1.180 40.473 42.059 -0.677 0.000 0.892 5 L HN 0.980 nan 8.230 nan 0.000 0.431 6 G N -0.298 108.518 108.800 0.027 0.000 2.446 6 G HA2 -0.275 3.686 3.960 0.001 0.000 0.217 6 G HA3 -0.275 3.686 3.960 0.001 0.000 0.217 6 G C 1.776 176.733 174.900 0.095 0.000 1.168 6 G CA 0.948 46.145 45.100 0.162 0.000 0.771 6 G HN 0.476 nan 8.290 nan 0.000 0.551 7 A N 1.116 123.956 122.820 0.032 0.000 1.902 7 A HA 0.239 4.559 4.320 0.001 0.000 0.217 7 A C 2.824 180.416 177.584 0.012 0.000 1.181 7 A CA 2.376 54.425 52.037 0.020 0.000 0.623 7 A CB -0.804 18.196 19.000 -0.000 0.000 0.818 7 A HN 0.848 nan 8.150 nan 0.000 0.443 8 A N -0.254 122.558 122.820 -0.014 0.000 1.902 8 A HA 0.182 4.503 4.320 0.001 0.000 0.217 8 A C 2.479 180.066 177.584 0.006 0.000 1.181 8 A CA 2.013 54.035 52.037 -0.026 0.000 0.623 8 A CB -0.924 18.027 19.000 -0.083 0.000 0.818 8 A HN 1.044 nan 8.150 nan 0.000 0.443 9 A N -0.197 122.652 122.820 0.047 0.000 1.930 9 A HA 0.234 4.554 4.320 0.001 0.000 0.217 9 A C 2.423 180.048 177.584 0.070 0.000 1.175 9 A CA 1.730 53.821 52.037 0.090 0.000 0.627 9 A CB -0.898 18.224 19.000 0.204 0.000 0.815 9 A HN 1.068 nan 8.150 nan 0.000 0.443 10 A N -0.507 122.358 122.820 0.075 0.000 2.070 10 A HA -0.200 4.121 4.320 0.001 0.000 0.220 10 A C 1.981 179.588 177.584 0.038 0.000 1.159 10 A CA 1.506 53.581 52.037 0.064 0.000 0.656 10 A CB -0.538 18.499 19.000 0.062 0.000 0.800 10 A HN 0.683 nan 8.150 nan 0.000 0.453 11 Q N -0.015 119.801 119.800 0.026 0.000 2.291 11 Q HA -0.111 4.230 4.340 0.001 0.000 0.206 11 Q C 1.658 177.666 176.000 0.012 0.000 0.976 11 Q CA 1.517 57.328 55.803 0.014 0.000 0.875 11 Q CB -0.152 28.589 28.738 0.005 0.000 0.927 11 Q HN 0.802 nan 8.270 nan 0.000 0.450 12 S N -1.976 113.733 115.700 0.015 0.000 2.602 12 S HA 0.388 4.858 4.470 0.001 0.000 0.240 12 S C 1.042 175.649 174.600 0.012 0.000 0.992 12 S CA 0.045 58.250 58.200 0.009 0.000 0.971 12 S CB 0.948 64.149 63.200 0.002 0.000 0.855 12 S HN 0.431 nan 8.310 nan 0.000 0.481 13 G N 1.429 110.244 108.800 0.024 0.000 2.143 13 G HA2 -0.262 3.699 3.960 0.001 0.000 0.248 13 G HA3 -0.262 3.699 3.960 0.001 0.000 0.248 13 G C 0.100 175.023 174.900 0.039 0.000 0.991 13 G CA 0.127 45.247 45.100 0.034 0.000 0.689 13 G HN 0.617 nan 8.290 nan 0.000 0.522 14 R N -1.059 119.456 120.500 0.026 0.000 2.797 14 R HA 0.723 5.064 4.340 0.001 0.000 0.251 14 R C 0.091 176.434 176.300 0.072 0.000 1.107 14 R CA -0.602 55.484 56.100 -0.023 0.000 1.084 14 R CB 0.823 31.071 30.300 -0.087 0.000 1.205 14 R HN 0.471 nan 8.270 nan 0.000 0.515 15 Y N -1.560 118.794 120.300 0.090 0.000 2.630 15 Y HA 0.687 5.237 4.550 0.001 0.000 0.337 15 Y C -1.235 174.774 175.900 0.181 0.000 1.051 15 Y CA -1.802 56.371 58.100 0.122 0.000 1.121 15 Y CB 1.095 39.601 38.460 0.077 0.000 1.299 15 Y HN 0.429 nan 8.280 nan 0.000 0.498 16 F N 1.365 121.570 119.950 0.426 0.000 2.612 16 F HA 0.762 5.289 4.527 0.001 0.000 0.332 16 F C -0.059 176.068 175.800 0.545 0.000 1.167 16 F CA -0.707 57.537 58.000 0.406 0.000 0.970 16 F CB 1.451 40.616 39.000 0.274 0.000 1.234 16 F HN 0.956 nan 8.300 nan 0.000 0.453 17 G N 1.949 110.949 108.800 0.332 0.000 3.016 17 G HA2 0.643 4.604 3.960 0.001 0.000 0.270 17 G HA3 0.643 4.604 3.960 0.001 0.000 0.270 17 G C -1.312 173.424 174.900 -0.273 0.000 1.352 17 G CA -0.692 44.505 45.100 0.163 0.000 1.060 17 G HN 0.613 nan 8.290 nan 0.000 0.538 18 T N -2.082 112.163 114.554 -0.515 0.000 2.787 18 T HA 0.625 4.976 4.350 0.001 0.000 0.297 18 T C -1.004 173.424 174.700 -0.453 0.000 1.221 18 T CA 0.206 61.891 62.100 -0.692 0.000 1.006 18 T CB 1.334 69.358 68.868 -1.406 0.000 1.328 18 T HN 1.259 nan 8.240 nan 0.000 0.509 19 A N 2.746 125.242 122.820 -0.539 0.000 2.301 19 A HA 0.708 5.028 4.320 0.001 0.000 0.298 19 A C -0.419 176.880 177.584 -0.475 0.000 1.185 19 A CA -0.561 51.043 52.037 -0.721 0.000 0.830 19 A CB 0.054 18.092 19.000 -1.603 0.000 1.112 19 A HN 0.656 nan 8.150 nan 0.000 0.508 20 I N 1.808 122.178 120.570 -0.333 0.000 2.412 20 I HA 0.495 4.666 4.170 0.001 0.000 0.296 20 I C 0.507 176.517 176.117 -0.178 0.000 0.987 20 I CA -0.272 60.909 61.300 -0.198 0.000 1.180 20 I CB 1.416 39.302 38.000 -0.191 0.000 1.340 20 I HN 0.707 nan 8.210 nan 0.000 0.455 21 A N 4.135 126.869 122.820 -0.143 0.000 2.271 21 A HA 0.455 4.775 4.320 0.001 0.000 0.317 21 A C 1.034 178.495 177.584 -0.204 0.000 1.245 21 A CA -0.261 51.667 52.037 -0.183 0.000 0.857 21 A CB 0.711 19.575 19.000 -0.227 0.000 1.175 21 A HN 0.835 nan 8.150 nan 0.000 0.512 22 S N 2.569 118.191 115.700 -0.131 0.000 2.402 22 S HA -0.141 4.329 4.470 0.001 0.000 0.233 22 S C 1.718 176.232 174.600 -0.144 0.000 1.030 22 S CA 1.647 59.780 58.200 -0.112 0.000 1.003 22 S CB -0.615 62.568 63.200 -0.029 0.000 0.813 22 S HN 1.249 nan 8.310 nan 0.000 0.477 23 G N 1.085 109.794 108.800 -0.151 0.000 2.625 23 G HA2 0.008 3.969 3.960 0.001 0.000 0.214 23 G HA3 0.008 3.969 3.960 0.001 0.000 0.214 23 G C 1.280 176.036 174.900 -0.240 0.000 1.132 23 G CA 0.253 45.259 45.100 -0.155 0.000 0.782 23 G HN 0.619 nan 8.290 nan 0.000 0.538 24 K N -0.430 119.737 120.400 -0.388 0.000 2.374 24 K HA 0.341 4.662 4.320 0.001 0.000 0.202 24 K C 1.646 177.981 176.600 -0.441 0.000 1.040 24 K CA -0.329 55.594 56.287 -0.606 0.000 1.085 24 K CB 0.390 32.081 32.500 -1.349 0.000 0.873 24 K HN 0.203 nan 8.250 nan 0.000 0.539 25 L N 0.331 121.383 121.223 -0.286 0.000 2.549 25 L HA -0.037 4.304 4.340 0.001 0.000 0.229 25 L C 1.818 178.639 176.870 -0.082 0.000 1.158 25 L CA 0.903 55.617 54.840 -0.211 0.000 0.842 25 L CB -0.156 41.746 42.059 -0.261 0.000 0.952 25 L HN 0.277 nan 8.230 nan 0.000 0.452 26 G N -1.825 106.926 108.800 -0.081 0.000 3.088 26 G HA2 -0.097 3.864 3.960 0.001 0.000 0.217 26 G HA3 -0.097 3.864 3.960 0.001 0.000 0.217 26 G C 0.172 175.060 174.900 -0.020 0.000 1.159 26 G CA -0.199 44.883 45.100 -0.030 0.000 0.760 26 G HN 0.123 nan 8.290 nan 0.000 0.550 27 D N 0.616 120.996 120.400 -0.033 0.000 2.380 27 D HA 0.298 4.938 4.640 0.001 0.000 0.230 27 D C 1.303 177.643 176.300 0.066 0.000 1.154 27 D CA -0.200 53.799 54.000 -0.002 0.000 0.859 27 D CB 1.276 42.047 40.800 -0.048 0.000 1.045 27 D HN -0.054 nan 8.370 nan 0.000 0.495 28 S N 2.583 118.313 115.700 0.050 0.000 2.374 28 S HA -0.209 4.262 4.470 0.001 0.000 0.227 28 S C 1.949 176.583 174.600 0.056 0.000 1.037 28 S CA 1.366 59.601 58.200 0.058 0.000 1.024 28 S CB 0.009 63.231 63.200 0.038 0.000 0.861 28 S HN 0.701 nan 8.310 nan 0.000 0.456 29 A N 0.327 123.176 122.820 0.050 0.000 1.902 29 A HA -0.127 4.194 4.320 0.001 0.000 0.217 29 A C 1.943 179.549 177.584 0.036 0.000 1.181 29 A CA 1.628 53.684 52.037 0.031 0.000 0.623 29 A CB -0.925 18.094 19.000 0.031 0.000 0.818 29 A HN 0.594 nan 8.150 nan 0.000 0.443 30 Y N 1.753 122.014 120.300 -0.066 0.000 2.114 30 Y HA -0.241 4.309 4.550 0.001 0.000 0.284 30 Y C 2.952 178.806 175.900 -0.077 0.000 1.143 30 Y CA 2.803 60.848 58.100 -0.092 0.000 1.135 30 Y CB -0.695 37.697 38.460 -0.114 0.000 0.980 30 Y HN 0.437 nan 8.280 nan 0.000 0.499 31 T N -3.580 111.019 114.554 0.075 0.000 2.867 31 T HA -0.150 4.200 4.350 0.001 0.000 0.268 31 T C 1.793 176.554 174.700 0.101 0.000 1.057 31 T CA 1.676 63.828 62.100 0.087 0.000 1.136 31 T CB -1.029 67.978 68.868 0.231 0.000 0.874 31 T HN 0.346 nan 8.240 nan 0.000 0.466 32 T N 2.128 116.700 114.554 0.031 0.000 2.708 32 T HA 0.085 4.435 4.350 0.001 0.000 0.266 32 T C 1.881 176.536 174.700 -0.074 0.000 1.037 32 T CA 1.389 63.487 62.100 -0.003 0.000 1.146 32 T CB -0.413 68.444 68.868 -0.019 0.000 0.865 32 T HN 0.421 nan 8.240 nan 0.000 0.435 33 I N 1.111 121.576 120.570 -0.175 0.000 2.233 33 I HA -0.111 4.059 4.170 0.001 0.000 0.243 33 I C 2.936 178.907 176.117 -0.243 0.000 1.093 33 I CA 1.023 62.119 61.300 -0.339 0.000 1.380 33 I CB -0.503 37.128 38.000 -0.615 0.000 1.067 33 I HN 0.172 nan 8.210 nan 0.000 0.413 34 A N 0.972 123.703 122.820 -0.149 0.000 1.908 34 A HA -0.240 4.080 4.320 0.001 0.000 0.218 34 A C 2.508 180.299 177.584 0.345 0.000 1.181 34 A CA 2.428 54.554 52.037 0.148 0.000 0.627 34 A CB -0.921 18.000 19.000 -0.133 0.000 0.818 34 A HN 0.534 nan 8.150 nan 0.000 0.445 35 S N -0.536 115.343 115.700 0.298 0.000 2.406 35 S HA -0.152 4.319 4.470 0.001 0.000 0.228 35 S C 2.030 176.632 174.600 0.002 0.000 1.020 35 S CA 1.139 59.409 58.200 0.117 0.000 0.965 35 S CB -0.393 62.829 63.200 0.036 0.000 0.798 35 S HN 0.638 nan 8.310 nan 0.000 0.488 36 R N 1.123 121.605 120.500 -0.030 0.000 2.073 36 R HA 0.023 4.364 4.340 0.001 0.000 0.229 36 R C 1.766 177.996 176.300 -0.117 0.000 1.120 36 R CA 1.399 57.456 56.100 -0.073 0.000 0.967 36 R CB -0.074 30.176 30.300 -0.083 0.000 0.862 36 R HN 0.387 nan 8.270 nan 0.000 0.436 37 E N -0.461 119.589 120.200 -0.250 0.000 2.318 37 E HA 0.025 4.376 4.350 0.001 0.000 0.193 37 E C -0.280 175.984 176.600 -0.559 0.000 0.998 37 E CA 0.435 56.551 56.400 -0.472 0.000 0.859 37 E CB 0.308 29.544 29.700 -0.774 0.000 0.812 37 E HN 0.139 nan 8.360 nan 0.000 0.492 38 F N 1.615 121.646 119.950 0.136 0.000 2.508 38 F HA 0.242 4.769 4.527 0.001 0.000 0.325 38 F C 0.904 176.767 175.800 0.106 0.000 1.090 38 F CA -1.225 56.881 58.000 0.177 0.000 0.945 38 F CB 0.967 40.076 39.000 0.182 0.000 1.156 38 F HN -0.180 nan 8.300 nan 0.000 0.463 39 N N 0.923 119.809 118.700 0.309 0.000 2.235 39 N HA 0.338 5.079 4.740 0.001 0.000 0.231 39 N C -0.695 174.866 175.510 0.085 0.000 1.177 39 N CA -0.111 53.031 53.050 0.154 0.000 0.874 39 N CB 0.735 39.300 38.487 0.129 0.000 1.097 39 N HN 0.567 nan 8.380 nan 0.000 0.518 40 M N 0.360 120.015 119.600 0.092 0.000 2.371 40 M HA 0.552 5.033 4.480 0.001 0.000 0.287 40 M C -2.231 174.022 176.300 -0.078 0.000 1.149 40 M CA -0.803 54.423 55.300 -0.123 0.000 0.929 40 M CB 2.325 34.660 32.600 -0.440 0.000 1.683 40 M HN -0.161 nan 8.290 nan 0.000 0.470 41 V N 3.047 122.890 119.914 -0.120 0.000 2.735 41 V HA 0.815 4.935 4.120 0.001 0.000 0.310 41 V C -0.704 175.306 176.094 -0.139 0.000 1.061 41 V CA -0.517 61.731 62.300 -0.086 0.000 0.913 41 V CB 2.539 34.383 31.823 0.035 0.000 1.005 41 V HN 0.898 nan 8.190 nan 0.000 0.428 42 T N 3.228 117.689 114.554 -0.156 0.000 2.848 42 T HA 0.648 4.999 4.350 0.001 0.000 0.285 42 T C -0.050 174.557 174.700 -0.155 0.000 0.995 42 T CA -0.299 61.714 62.100 -0.145 0.000 0.970 42 T CB 1.670 70.481 68.868 -0.095 0.000 0.976 42 T HN 0.953 nan 8.240 nan 0.000 0.441 43 A N 2.020 124.795 122.820 -0.074 0.000 2.454 43 A HA 0.279 4.599 4.320 0.001 0.000 0.260 43 A C 1.367 178.940 177.584 -0.017 0.000 1.106 43 A CA -0.329 51.686 52.037 -0.037 0.000 0.780 43 A CB -0.006 19.018 19.000 0.041 0.000 1.044 43 A HN 1.063 nan 8.150 nan 0.000 0.498 44 E N 2.103 122.217 120.200 -0.144 0.000 2.110 44 E HA -0.179 4.172 4.350 0.001 0.000 0.193 44 E C 0.673 177.369 176.600 0.159 0.000 0.988 44 E CA 1.760 58.066 56.400 -0.158 0.000 0.804 44 E CB 0.083 29.585 29.700 -0.330 0.000 0.745 44 E HN 0.809 nan 8.360 nan 0.000 0.458 45 N N -1.238 117.539 118.700 0.128 0.000 2.066 45 N HA -0.020 4.720 4.740 0.001 0.000 0.232 45 N C 0.697 176.305 175.510 0.163 0.000 1.316 45 N CA 0.173 53.327 53.050 0.174 0.000 0.847 45 N CB 0.342 38.904 38.487 0.125 0.000 1.165 45 N HN -0.019 nan 8.380 nan 0.000 0.471 46 E N 0.805 121.086 120.200 0.136 0.000 2.396 46 E HA 0.053 4.403 4.350 0.001 0.000 0.200 46 E C 1.097 177.835 176.600 0.229 0.000 1.023 46 E CA 0.958 57.453 56.400 0.158 0.000 0.857 46 E CB -0.042 29.741 29.700 0.137 0.000 0.775 46 E HN 0.362 nan 8.360 nan 0.000 0.525 47 M N -0.270 119.477 119.600 0.246 0.000 2.412 47 M HA 0.161 4.641 4.480 0.001 0.000 0.315 47 M C -0.069 176.442 176.300 0.352 0.000 1.092 47 M CA -0.107 55.396 55.300 0.337 0.000 0.974 47 M CB 0.668 33.436 32.600 0.281 0.000 1.437 47 M HN -0.162 nan 8.290 nan 0.000 0.524 48 K N 0.501 121.066 120.400 0.276 0.000 2.118 48 K HA 0.305 4.626 4.320 0.001 0.000 0.240 48 K C 1.097 177.883 176.600 0.310 0.000 1.035 48 K CA -0.311 56.141 56.287 0.275 0.000 0.899 48 K CB 1.296 33.961 32.500 0.274 0.000 1.085 48 K HN 0.061 nan 8.250 nan 0.000 0.498 49 I N 1.287 122.009 120.570 0.253 0.000 2.127 49 I HA -0.343 3.827 4.170 0.001 0.000 0.241 49 I C 2.057 178.212 176.117 0.062 0.000 1.075 49 I CA 1.584 62.906 61.300 0.035 0.000 1.334 49 I CB -0.534 37.291 38.000 -0.291 0.000 1.040 49 I HN 0.751 nan 8.210 nan 0.000 0.405 50 D N 1.824 122.227 120.400 0.005 0.000 2.144 50 D HA -0.187 4.453 4.640 0.001 0.000 0.199 50 D C 1.996 178.341 176.300 0.076 0.000 0.984 50 D CA 1.621 55.626 54.000 0.008 0.000 0.834 50 D CB -0.401 40.370 40.800 -0.048 0.000 0.955 50 D HN 0.372 nan 8.370 nan 0.000 0.465 51 A N 0.478 123.363 122.820 0.110 0.000 1.929 51 A HA -0.058 4.263 4.320 0.001 0.000 0.216 51 A C 2.356 180.002 177.584 0.103 0.000 1.176 51 A CA 2.260 54.363 52.037 0.110 0.000 0.628 51 A CB -0.833 18.252 19.000 0.140 0.000 0.816 51 A HN 0.471 nan 8.150 nan 0.000 0.444 52 T N -3.690 110.969 114.554 0.175 0.000 3.051 52 T HA 0.185 4.536 4.350 0.001 0.000 0.255 52 T C 0.653 175.401 174.700 0.080 0.000 1.085 52 T CA 0.819 62.980 62.100 0.101 0.000 1.109 52 T CB 0.139 69.200 68.868 0.323 0.000 0.921 52 T HN 0.401 nan 8.240 nan 0.000 0.488 53 E N 1.796 122.108 120.200 0.185 0.000 3.626 53 E HA 0.215 4.566 4.350 0.001 0.000 0.245 53 E C -2.073 174.635 176.600 0.181 0.000 1.236 53 E CA -1.989 54.441 56.400 0.050 0.000 1.072 53 E CB 1.516 31.319 29.700 0.173 0.000 1.309 53 E HN 0.156 nan 8.360 nan 0.000 0.400 54 P HA -0.177 nan 4.420 nan 0.000 0.216 54 P C -0.037 177.384 177.300 0.202 0.000 1.150 54 P CA 1.155 64.337 63.100 0.136 0.000 0.843 54 P CB 0.461 32.179 31.700 0.030 0.000 0.787 55 Q N -1.187 118.565 119.800 -0.080 0.000 2.365 55 Q HA 0.395 4.736 4.340 0.001 0.000 0.269 55 Q C -0.245 175.215 176.000 -0.900 0.000 1.061 55 Q CA -0.783 54.769 55.803 -0.418 0.000 0.816 55 Q CB 1.710 30.274 28.738 -0.290 0.000 1.325 55 Q HN -0.077 nan 8.270 nan 0.000 0.446 56 R N 0.852 120.300 120.500 -1.753 0.000 2.485 56 R HA 0.115 4.456 4.340 0.001 0.000 0.304 56 R C 0.631 176.415 176.300 -0.861 0.000 0.934 56 R CA 1.754 56.777 56.100 -1.796 0.000 1.102 56 R CB -0.453 28.964 30.300 -1.473 0.000 0.906 56 R HN 0.938 nan 8.270 nan 0.000 0.407 57 G N 3.021 111.383 108.800 -0.731 0.000 2.205 57 G HA2 -0.252 3.708 3.960 0.001 0.000 0.261 57 G HA3 -0.252 3.708 3.960 0.001 0.000 0.261 57 G C -0.209 174.404 174.900 -0.478 0.000 0.980 57 G CA 0.100 44.906 45.100 -0.489 0.000 0.632 57 G HN 0.578 nan 8.290 nan 0.000 0.533 58 Q N 0.328 119.802 119.800 -0.545 0.000 2.466 58 Q HA 0.570 4.911 4.340 0.001 0.000 0.242 58 Q C -0.409 175.348 176.000 -0.406 0.000 1.046 58 Q CA -0.333 55.257 55.803 -0.354 0.000 0.841 58 Q CB 0.387 28.970 28.738 -0.259 0.000 1.193 58 Q HN 0.331 nan 8.270 nan 0.000 0.508 59 F N 1.702 121.556 119.950 -0.161 0.000 2.384 59 F HA 0.305 4.833 4.527 0.001 0.000 0.338 59 F C 1.068 176.594 175.800 -0.458 0.000 1.103 59 F CA -0.276 57.523 58.000 -0.336 0.000 1.157 59 F CB 0.909 39.718 39.000 -0.318 0.000 1.167 59 F HN 0.286 nan 8.300 nan 0.000 0.529 60 N N 2.764 121.167 118.700 -0.495 0.000 2.500 60 N HA 0.224 4.965 4.740 0.001 0.000 0.291 60 N C -1.237 173.934 175.510 -0.565 0.000 1.092 60 N CA -0.286 52.532 53.050 -0.386 0.000 0.890 60 N CB 0.818 39.211 38.487 -0.158 0.000 1.466 60 N HN 0.399 nan 8.380 nan 0.000 0.507 61 F N 1.440 121.370 119.950 -0.033 0.000 2.735 61 F HA 0.266 4.793 4.527 0.001 0.000 0.304 61 F C 2.065 177.920 175.800 0.091 0.000 1.119 61 F CA -0.310 57.682 58.000 -0.014 0.000 1.280 61 F CB 0.294 39.068 39.000 -0.376 0.000 0.994 61 F HN 0.428 nan 8.300 nan 0.000 0.520 62 S N 0.969 116.773 115.700 0.173 0.000 2.348 62 S HA -0.200 4.270 4.470 0.001 0.000 0.221 62 S C 2.452 177.160 174.600 0.181 0.000 1.033 62 S CA 1.776 60.073 58.200 0.161 0.000 1.010 62 S CB -0.201 63.056 63.200 0.096 0.000 0.891 62 S HN 0.372 nan 8.310 nan 0.000 0.442 63 A N 0.706 123.622 122.820 0.159 0.000 1.898 63 A HA 0.200 4.520 4.320 0.001 0.000 0.216 63 A C 2.375 180.087 177.584 0.214 0.000 1.181 63 A CA 1.685 53.813 52.037 0.150 0.000 0.620 63 A CB -1.634 17.433 19.000 0.112 0.000 0.819 63 A HN 0.636 nan 8.150 nan 0.000 0.442 64 G N -0.102 108.880 108.800 0.303 0.000 2.440 64 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 64 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 64 G C 1.095 176.273 174.900 0.463 0.000 1.154 64 G CA 1.279 46.619 45.100 0.401 0.000 0.767 64 G HN 0.445 nan 8.290 nan 0.000 0.552 65 D N -0.260 120.446 120.400 0.510 0.000 2.219 65 D HA -0.031 4.609 4.640 0.001 0.000 0.205 65 D C 2.379 178.909 176.300 0.383 0.000 0.970 65 D CA 0.449 54.753 54.000 0.507 0.000 0.851 65 D CB -0.141 40.915 40.800 0.427 0.000 0.943 65 D HN 0.316 nan 8.370 nan 0.000 0.488 66 R N 0.379 121.049 120.500 0.283 0.000 2.075 66 R HA -0.075 4.266 4.340 0.001 0.000 0.232 66 R C 1.969 178.407 176.300 0.230 0.000 1.126 66 R CA 0.843 57.075 56.100 0.219 0.000 0.963 66 R CB -0.086 30.305 30.300 0.152 0.000 0.858 66 R HN -0.003 nan 8.270 nan 0.000 0.435 67 V N 0.113 120.154 119.914 0.212 0.000 2.323 67 V HA -0.234 3.886 4.120 0.001 0.000 0.244 67 V C 1.941 178.171 176.094 0.226 0.000 1.041 67 V CA 1.799 64.210 62.300 0.184 0.000 1.025 67 V CB -0.744 31.145 31.823 0.110 0.000 0.656 67 V HN 0.396 nan 8.190 nan 0.000 0.451 68 Y N 2.057 122.438 120.300 0.135 0.000 2.128 68 Y HA -0.253 4.298 4.550 0.001 0.000 0.284 68 Y C 2.506 178.477 175.900 0.118 0.000 1.154 68 Y CA 2.104 60.257 58.100 0.088 0.000 1.149 68 Y CB -0.407 38.120 38.460 0.111 0.000 0.976 68 Y HN 0.280 nan 8.280 nan 0.000 0.505 69 N N -0.456 118.285 118.700 0.069 0.000 2.120 69 N HA -0.227 4.514 4.740 0.001 0.000 0.188 69 N C 1.588 177.070 175.510 -0.046 0.000 1.024 69 N CA 1.568 54.600 53.050 -0.030 0.000 0.852 69 N CB -1.162 37.413 38.487 0.147 0.000 1.003 69 N HN 0.648 nan 8.380 nan 0.000 0.424 70 W N 2.127 123.383 121.300 -0.074 0.000 2.358 70 W HA -0.098 4.563 4.660 0.001 0.000 0.303 70 W C 2.365 178.819 176.519 -0.110 0.000 1.208 70 W CA 2.294 59.603 57.345 -0.060 0.000 1.274 70 W CB -0.381 29.071 29.460 -0.015 0.000 1.138 70 W HN 0.084 nan 8.180 nan 0.000 0.515 71 A N -0.131 122.705 122.820 0.027 0.000 1.851 71 A HA -0.221 4.099 4.320 0.001 0.000 0.216 71 A C 2.021 179.394 177.584 -0.352 0.000 1.195 71 A CA 2.743 54.686 52.037 -0.157 0.000 0.622 71 A CB -1.345 17.616 19.000 -0.064 0.000 0.831 71 A HN 0.179 nan 8.150 nan 0.000 0.444 72 V N 0.156 119.816 119.914 -0.423 0.000 2.343 72 V HA -0.252 3.869 4.120 0.001 0.000 0.247 72 V C 2.628 178.546 176.094 -0.294 0.000 1.051 72 V CA 1.978 64.054 62.300 -0.375 0.000 1.036 72 V CB -0.839 30.695 31.823 -0.482 0.000 0.654 72 V HN 0.545 nan 8.190 nan 0.000 0.451 73 Q N 0.021 119.639 119.800 -0.303 0.000 2.291 73 Q HA -0.085 4.255 4.340 0.001 0.000 0.206 73 Q C 1.516 177.323 176.000 -0.323 0.000 0.976 73 Q CA 0.912 56.561 55.803 -0.256 0.000 0.875 73 Q CB -0.374 28.236 28.738 -0.213 0.000 0.927 73 Q HN 0.652 nan 8.270 nan 0.000 0.450 74 N N -0.639 117.774 118.700 -0.478 0.000 2.235 74 N HA 0.101 4.842 4.740 0.001 0.000 0.209 74 N C 0.279 175.586 175.510 -0.340 0.000 1.122 74 N CA 0.645 53.391 53.050 -0.507 0.000 0.845 74 N CB 1.240 39.157 38.487 -0.951 0.000 1.004 74 N HN 0.289 nan 8.380 nan 0.000 0.499 75 G N 1.343 109.988 108.800 -0.258 0.000 2.160 75 G HA2 -0.272 3.688 3.960 0.001 0.000 0.244 75 G HA3 -0.272 3.688 3.960 0.001 0.000 0.244 75 G C -0.253 174.566 174.900 -0.135 0.000 1.022 75 G CA 0.170 45.171 45.100 -0.166 0.000 0.741 75 G HN 0.250 nan 8.290 nan 0.000 0.508 76 K N 0.149 120.448 120.400 -0.169 0.000 2.259 76 K HA 0.624 4.944 4.320 0.001 0.000 0.252 76 K C 0.625 177.148 176.600 -0.128 0.000 0.936 76 K CA -0.668 55.553 56.287 -0.111 0.000 0.810 76 K CB 1.584 34.038 32.500 -0.077 0.000 1.143 76 K HN 0.350 nan 8.250 nan 0.000 0.427 77 Q N 0.425 120.155 119.800 -0.116 0.000 2.407 77 Q HA 0.461 4.802 4.340 0.001 0.000 0.214 77 Q C -0.540 175.361 176.000 -0.164 0.000 1.043 77 Q CA -0.745 54.979 55.803 -0.132 0.000 0.983 77 Q CB 1.017 29.669 28.738 -0.144 0.000 1.211 77 Q HN 0.224 nan 8.270 nan 0.000 0.564 78 V N 0.682 120.500 119.914 -0.161 0.000 2.789 78 V HA 0.410 4.531 4.120 0.001 0.000 0.311 78 V C -0.748 175.180 176.094 -0.278 0.000 1.073 78 V CA -0.810 61.378 62.300 -0.187 0.000 0.921 78 V CB 2.061 33.828 31.823 -0.094 0.000 1.009 78 V HN 0.631 nan 8.190 nan 0.000 0.426 79 R N 2.135 122.453 120.500 -0.304 0.000 2.338 79 R HA 0.589 4.930 4.340 0.001 0.000 0.317 79 R C 0.250 176.275 176.300 -0.460 0.000 0.968 79 R CA -0.494 55.404 56.100 -0.336 0.000 0.849 79 R CB 1.928 32.096 30.300 -0.220 0.000 1.128 79 R HN 0.910 nan 8.270 nan 0.000 0.448 80 G N 1.365 109.649 108.800 -0.861 0.000 2.403 80 G HA2 0.192 4.152 3.960 0.001 0.000 0.259 80 G HA3 0.192 4.152 3.960 0.001 0.000 0.259 80 G C -0.911 173.799 174.900 -0.317 0.000 1.244 80 G CA 0.066 44.349 45.100 -1.362 0.000 0.849 80 G HN 0.678 nan 8.290 nan 0.000 0.532 81 H N -0.053 118.948 119.070 -0.114 0.000 3.224 81 H HA 0.534 5.090 4.556 0.001 0.000 0.331 81 H C -0.872 174.525 175.328 0.116 0.000 1.002 81 H CA -0.346 55.721 56.048 0.033 0.000 1.473 81 H CB 1.459 31.209 29.762 -0.020 0.000 1.830 81 H HN 0.506 nan 8.280 nan 0.000 0.485 82 T N 5.845 120.278 114.554 -0.202 0.000 2.916 82 T HA 0.221 4.572 4.350 0.001 0.000 0.305 82 T C 1.167 175.876 174.700 0.014 0.000 1.119 82 T CA -0.790 61.153 62.100 -0.262 0.000 1.008 82 T CB 1.541 69.781 68.868 -1.047 0.000 1.129 82 T HN 0.558 nan 8.240 nan 0.000 0.480 83 L N 1.035 122.298 121.223 0.067 0.000 2.072 83 L HA 0.353 4.693 4.340 0.001 0.000 0.205 83 L C 1.135 178.133 176.870 0.214 0.000 1.079 83 L CA 0.683 55.578 54.840 0.092 0.000 0.752 83 L CB -0.087 41.882 42.059 -0.149 0.000 0.906 83 L HN 0.689 nan 8.230 nan 0.000 0.436 84 A N -0.396 122.533 122.820 0.181 0.000 2.466 84 A HA 0.561 4.882 4.320 0.001 0.000 0.284 84 A C -1.656 176.243 177.584 0.525 0.000 1.049 84 A CA -0.515 51.718 52.037 0.327 0.000 0.760 84 A CB 0.789 19.982 19.000 0.321 0.000 1.274 84 A HN 0.248 nan 8.150 nan 0.000 0.412 85 W N 2.651 124.012 121.300 0.102 0.000 2.937 85 W HA 0.377 5.037 4.660 0.001 0.000 0.360 85 W C 0.138 176.646 176.519 -0.018 0.000 1.215 85 W CA -0.127 57.304 57.345 0.144 0.000 1.183 85 W CB -0.123 29.390 29.460 0.089 0.000 1.458 85 W HN 0.841 nan 8.180 nan 0.000 0.574 86 H N 0.033 119.040 119.070 -0.106 0.000 2.470 86 H HA 0.102 4.658 4.556 0.001 0.000 0.289 86 H C 0.390 175.350 175.328 -0.614 0.000 1.033 86 H CA 1.246 57.095 56.048 -0.331 0.000 1.331 86 H CB -0.485 29.172 29.762 -0.174 0.000 1.414 86 H HN 0.202 nan 8.280 nan 0.000 0.545 87 S N 0.327 114.881 115.700 -1.910 0.000 2.601 87 S HA 0.088 4.559 4.470 0.001 0.000 0.271 87 S C 0.223 173.910 174.600 -1.521 0.000 1.305 87 S CA -0.210 56.924 58.200 -1.776 0.000 1.022 87 S CB 0.430 62.424 63.200 -2.009 0.000 0.940 87 S HN 0.588 nan 8.310 nan 0.000 0.525 88 Q N 0.520 119.820 119.800 -0.834 0.000 2.461 88 Q HA -0.217 4.124 4.340 0.001 0.000 0.273 88 Q C -0.507 175.239 176.000 -0.423 0.000 1.163 88 Q CA 0.751 56.264 55.803 -0.483 0.000 0.929 88 Q CB -1.268 27.297 28.738 -0.289 0.000 1.334 88 Q HN 0.703 nan 8.270 nan 0.000 0.499 89 Q N 1.167 120.670 119.800 -0.496 0.000 2.327 89 Q HA 0.286 4.627 4.340 0.001 0.000 0.254 89 Q C -1.912 173.827 176.000 -0.435 0.000 0.952 89 Q CA -1.648 53.872 55.803 -0.473 0.000 0.884 89 Q CB 0.595 29.034 28.738 -0.499 0.000 1.224 89 Q HN 0.126 nan 8.270 nan 0.000 0.422 90 P HA -0.090 nan 4.420 nan 0.000 0.270 90 P C 0.420 177.416 177.300 -0.507 0.000 1.223 90 P CA 0.152 62.977 63.100 -0.459 0.000 0.785 90 P CB 0.573 31.978 31.700 -0.491 0.000 0.923 91 G N 1.917 110.572 108.800 -0.240 0.000 2.513 91 G HA2 -0.267 3.693 3.960 0.001 0.000 0.219 91 G HA3 -0.267 3.693 3.960 0.001 0.000 0.219 91 G C 1.412 176.227 174.900 -0.142 0.000 1.160 91 G CA 0.707 45.718 45.100 -0.148 0.000 0.767 91 G HN 0.760 nan 8.290 nan 0.000 0.571 92 W N 0.011 121.260 121.300 -0.085 0.000 2.342 92 W HA 0.002 4.663 4.660 0.001 0.000 0.297 92 W C 2.131 178.598 176.519 -0.088 0.000 1.213 92 W CA 1.119 58.415 57.345 -0.082 0.000 1.251 92 W CB -0.934 28.476 29.460 -0.084 0.000 1.136 92 W HN 0.292 nan 8.180 nan 0.000 0.526 93 M N 1.452 120.499 119.600 -0.923 0.000 2.288 93 M HA -0.142 4.339 4.480 0.001 0.000 0.266 93 M C 2.372 178.425 176.300 -0.410 0.000 1.072 93 M CA 1.601 56.416 55.300 -0.809 0.000 1.132 93 M CB -0.220 31.603 32.600 -1.295 0.000 1.386 93 M HN 0.005 nan 8.290 nan 0.000 0.432 94 Q N -0.297 119.280 119.800 -0.371 0.000 2.226 94 Q HA -0.126 4.215 4.340 0.001 0.000 0.204 94 Q C 1.849 177.756 176.000 -0.156 0.000 0.975 94 Q CA 1.814 57.468 55.803 -0.248 0.000 0.866 94 Q CB -0.143 28.462 28.738 -0.222 0.000 0.915 94 Q HN 0.656 nan 8.270 nan 0.000 0.440 95 S N -0.528 115.105 115.700 -0.113 0.000 2.558 95 S HA 0.137 4.607 4.470 0.001 0.000 0.217 95 S C 0.798 175.375 174.600 -0.037 0.000 0.975 95 S CA -0.273 57.893 58.200 -0.057 0.000 0.912 95 S CB -0.004 63.184 63.200 -0.020 0.000 0.776 95 S HN 0.109 nan 8.310 nan 0.000 0.526 96 L N 1.717 122.912 121.223 -0.045 0.000 2.456 96 L HA 0.526 4.867 4.340 0.001 0.000 0.257 96 L C 0.245 177.087 176.870 -0.048 0.000 1.162 96 L CA -0.383 54.446 54.840 -0.018 0.000 0.808 96 L CB 1.132 43.200 42.059 0.015 0.000 1.136 96 L HN 0.191 nan 8.230 nan 0.000 0.466 97 S N -1.086 114.596 115.700 -0.030 0.000 2.643 97 S HA 0.669 5.140 4.470 0.001 0.000 0.270 97 S C 0.044 174.629 174.600 -0.024 0.000 1.166 97 S CA -0.110 58.065 58.200 -0.042 0.000 0.815 97 S CB 1.422 64.600 63.200 -0.038 0.000 1.139 97 S HN 1.126 nan 8.310 nan 0.000 0.472 98 G N 2.273 111.056 108.800 -0.028 0.000 2.602 98 G HA2 -0.355 3.606 3.960 0.001 0.000 0.317 98 G HA3 -0.355 3.606 3.960 0.001 0.000 0.317 98 G C 1.233 176.136 174.900 0.006 0.000 1.327 98 G CA 1.474 46.569 45.100 -0.009 0.000 0.971 98 G HN 1.707 nan 8.290 nan 0.000 0.540 99 S N -1.597 114.113 115.700 0.017 0.000 2.374 99 S HA -0.211 4.259 4.470 0.001 0.000 0.227 99 S C 2.348 176.968 174.600 0.034 0.000 1.037 99 S CA 3.003 61.221 58.200 0.029 0.000 1.024 99 S CB -1.003 62.213 63.200 0.027 0.000 0.861 99 S HN 1.685 nan 8.310 nan 0.000 0.456 100 T N 1.130 115.702 114.554 0.030 0.000 2.788 100 T HA -0.002 4.348 4.350 0.001 0.000 0.268 100 T C 1.670 176.403 174.700 0.055 0.000 1.044 100 T CA 1.297 63.422 62.100 0.041 0.000 1.139 100 T CB -0.609 68.281 68.868 0.036 0.000 0.867 100 T HN 0.343 nan 8.240 nan 0.000 0.454 101 L N 1.271 122.514 121.223 0.032 0.000 2.093 101 L HA 0.217 4.557 4.340 0.001 0.000 0.208 101 L C 2.471 179.361 176.870 0.034 0.000 1.085 101 L CA 1.833 56.684 54.840 0.019 0.000 0.755 101 L CB -0.852 41.183 42.059 -0.040 0.000 0.904 101 L HN 0.132 nan 8.230 nan 0.000 0.435 102 R N -0.366 120.158 120.500 0.040 0.000 2.096 102 R HA -0.199 4.141 4.340 0.001 0.000 0.235 102 R C 2.319 178.675 176.300 0.092 0.000 1.127 102 R CA 1.840 57.983 56.100 0.073 0.000 0.968 102 R CB -0.650 29.696 30.300 0.076 0.000 0.861 102 R HN 0.521 nan 8.270 nan 0.000 0.440 103 Q N -0.291 119.559 119.800 0.083 0.000 2.123 103 Q HA 0.119 4.460 4.340 0.001 0.000 0.199 103 Q C 1.821 177.893 176.000 0.120 0.000 0.966 103 Q CA 1.889 57.746 55.803 0.090 0.000 0.845 103 Q CB -0.367 28.413 28.738 0.070 0.000 0.907 103 Q HN 0.385 nan 8.270 nan 0.000 0.439 104 A N 0.493 123.395 122.820 0.137 0.000 1.902 104 A HA -0.187 4.133 4.320 0.001 0.000 0.217 104 A C 2.155 179.876 177.584 0.230 0.000 1.181 104 A CA 1.685 53.848 52.037 0.209 0.000 0.623 104 A CB -0.729 18.435 19.000 0.273 0.000 0.818 104 A HN 0.597 nan 8.150 nan 0.000 0.443 105 M N -0.356 119.344 119.600 0.167 0.000 2.080 105 M HA -0.150 4.331 4.480 0.001 0.000 0.260 105 M C 1.959 178.383 176.300 0.207 0.000 1.068 105 M CA 1.999 57.407 55.300 0.179 0.000 1.109 105 M CB -0.349 32.342 32.600 0.153 0.000 1.342 105 M HN 0.432 nan 8.290 nan 0.000 0.405 106 I N 0.449 121.116 120.570 0.162 0.000 2.226 106 I HA -0.327 3.843 4.170 0.001 0.000 0.245 106 I C 1.849 178.050 176.117 0.140 0.000 1.100 106 I CA 1.345 62.721 61.300 0.127 0.000 1.374 106 I CB -0.780 37.279 38.000 0.098 0.000 1.057 106 I HN 0.334 nan 8.210 nan 0.000 0.413 107 D N -0.319 120.188 120.400 0.179 0.000 2.144 107 D HA -0.234 4.406 4.640 0.001 0.000 0.199 107 D C 1.979 178.477 176.300 0.330 0.000 0.984 107 D CA 1.492 55.621 54.000 0.215 0.000 0.834 107 D CB -0.372 40.554 40.800 0.210 0.000 0.955 107 D HN 0.447 nan 8.370 nan 0.000 0.465 108 H N 0.783 120.029 119.070 0.292 0.000 2.321 108 H HA -0.013 4.544 4.556 0.001 0.000 0.300 108 H C 2.209 177.670 175.328 0.221 0.000 1.087 108 H CA 1.272 57.554 56.048 0.389 0.000 1.319 108 H CB -0.316 29.626 29.762 0.300 0.000 1.379 108 H HN 0.043 nan 8.280 nan 0.000 0.501 109 I N 0.317 120.948 120.570 0.102 0.000 2.163 109 I HA -0.329 3.841 4.170 0.001 0.000 0.243 109 I C 1.986 178.001 176.117 -0.169 0.000 1.085 109 I CA 1.389 62.636 61.300 -0.089 0.000 1.347 109 I CB -0.348 37.621 38.000 -0.052 0.000 1.044 109 I HN 0.390 nan 8.210 nan 0.000 0.408 110 N N 1.087 119.737 118.700 -0.083 0.000 2.166 110 N HA -0.115 4.625 4.740 0.001 0.000 0.186 110 N C 1.882 177.269 175.510 -0.205 0.000 1.019 110 N CA 1.608 54.592 53.050 -0.111 0.000 0.856 110 N CB -0.655 37.808 38.487 -0.040 0.000 0.993 110 N HN 0.447 nan 8.380 nan 0.000 0.426 111 G N 0.955 109.584 108.800 -0.284 0.000 2.404 111 G HA2 -0.146 3.814 3.960 0.001 0.000 0.215 111 G HA3 -0.146 3.814 3.960 0.001 0.000 0.215 111 G C 1.751 176.287 174.900 -0.606 0.000 1.174 111 G CA 0.749 45.392 45.100 -0.760 0.000 0.780 111 G HN 0.177 nan 8.290 nan 0.000 0.537 112 V N 1.105 120.779 119.914 -0.400 0.000 2.270 112 V HA -0.157 3.963 4.120 0.001 0.000 0.245 112 V C 2.910 178.937 176.094 -0.113 0.000 1.043 112 V CA 2.020 64.261 62.300 -0.098 0.000 1.014 112 V CB -0.485 31.288 31.823 -0.083 0.000 0.645 112 V HN 0.330 nan 8.190 nan 0.000 0.447 113 M N 0.382 119.814 119.600 -0.279 0.000 2.159 113 M HA -0.092 4.389 4.480 0.001 0.000 0.263 113 M C 2.266 178.498 176.300 -0.114 0.000 1.063 113 M CA 1.978 57.150 55.300 -0.213 0.000 1.110 113 M CB -0.874 31.511 32.600 -0.357 0.000 1.374 113 M HN 0.517 nan 8.290 nan 0.000 0.411 114 G N -1.014 107.675 108.800 -0.184 0.000 2.422 114 G HA2 -0.285 3.675 3.960 0.001 0.000 0.218 114 G HA3 -0.285 3.675 3.960 0.001 0.000 0.218 114 G C 1.182 175.938 174.900 -0.240 0.000 1.146 114 G CA 1.302 46.295 45.100 -0.179 0.000 0.769 114 G HN 0.471 nan 8.290 nan 0.000 0.547 115 H N -0.582 118.189 119.070 -0.499 0.000 2.389 115 H HA -0.006 4.551 4.556 0.001 0.000 0.299 115 H C 1.163 176.033 175.328 -0.763 0.000 1.081 115 H CA 1.160 56.719 56.048 -0.814 0.000 1.345 115 H CB -0.061 28.703 29.762 -1.663 0.000 1.393 115 H HN 0.417 nan 8.280 nan 0.000 0.520 116 Y N 0.415 120.514 120.300 -0.335 0.000 2.607 116 Y HA 0.218 4.768 4.550 0.001 0.000 0.266 116 Y C 0.613 176.427 175.900 -0.143 0.000 1.178 116 Y CA -0.491 57.429 58.100 -0.299 0.000 1.226 116 Y CB -0.124 38.288 38.460 -0.080 0.000 1.144 116 Y HN -0.020 nan 8.280 nan 0.000 0.528 117 K N 0.803 121.182 120.400 -0.036 0.000 2.504 117 K HA 0.082 4.403 4.320 0.001 0.000 0.278 117 K C 1.306 177.910 176.600 0.006 0.000 1.025 117 K CA 1.337 57.625 56.287 0.001 0.000 1.093 117 K CB -0.211 32.258 32.500 -0.052 0.000 0.873 117 K HN 0.638 nan 8.250 nan 0.000 0.483 118 G N 3.671 112.503 108.800 0.053 0.000 2.168 118 G HA2 -0.315 3.645 3.960 0.001 0.000 0.263 118 G HA3 -0.315 3.645 3.960 0.001 0.000 0.263 118 G C 0.440 175.369 174.900 0.048 0.000 0.977 118 G CA 0.863 45.990 45.100 0.045 0.000 0.659 118 G HN 0.740 nan 8.290 nan 0.000 0.533 119 K N -0.696 119.735 120.400 0.052 0.000 2.374 119 K HA 0.370 4.691 4.320 0.001 0.000 0.202 119 K C 0.376 177.025 176.600 0.080 0.000 1.040 119 K CA -0.197 56.135 56.287 0.075 0.000 1.085 119 K CB 0.961 33.467 32.500 0.010 0.000 0.873 119 K HN 0.309 nan 8.250 nan 0.000 0.539 120 I N 0.999 121.582 120.570 0.021 0.000 2.378 120 I HA 0.209 4.380 4.170 0.001 0.000 0.291 120 I C 1.157 177.228 176.117 -0.076 0.000 0.992 120 I CA -0.323 60.906 61.300 -0.118 0.000 1.154 120 I CB 1.147 38.928 38.000 -0.364 0.000 1.315 120 I HN -0.014 nan 8.210 nan 0.000 0.448 121 A N 6.181 128.937 122.820 -0.107 0.000 1.873 121 A HA -0.040 4.281 4.320 0.001 0.000 0.215 121 A C 0.797 178.361 177.584 -0.032 0.000 1.186 121 A CA 1.163 53.168 52.037 -0.055 0.000 0.616 121 A CB 0.051 19.002 19.000 -0.082 0.000 0.823 121 A HN 0.780 nan 8.150 nan 0.000 0.442 122 Q N -3.213 116.522 119.800 -0.110 0.000 2.379 122 Q HA 0.476 4.816 4.340 0.001 0.000 0.278 122 Q C -2.048 173.878 176.000 -0.123 0.000 1.068 122 Q CA -0.343 55.443 55.803 -0.029 0.000 0.816 122 Q CB 2.110 30.849 28.738 0.002 0.000 1.387 122 Q HN 0.540 nan 8.270 nan 0.000 0.413 123 W N 1.423 122.742 121.300 0.032 0.000 2.600 123 W HA 0.313 4.973 4.660 0.000 0.000 0.325 123 W C -0.727 175.798 176.519 0.010 0.000 1.034 123 W CA -0.453 56.898 57.345 0.010 0.000 1.226 123 W CB 1.653 31.112 29.460 -0.003 0.000 1.379 123 W HN 0.440 nan 8.180 nan 0.000 0.466 124 D N 3.569 124.156 120.400 0.312 0.000 2.435 124 D HA 0.056 4.696 4.640 0.001 0.000 0.230 124 D C 1.125 177.495 176.300 0.116 0.000 1.215 124 D CA 0.247 54.341 54.000 0.157 0.000 0.947 124 D CB 1.354 42.213 40.800 0.098 0.000 1.048 124 D HN 0.124 nan 8.370 nan 0.000 0.512 125 V N 2.051 121.970 119.914 0.008 0.000 2.307 125 V HA -0.109 4.011 4.120 0.001 0.000 0.245 125 V C 1.087 177.085 176.094 -0.161 0.000 1.045 125 V CA 1.033 63.197 62.300 -0.227 0.000 1.024 125 V CB 0.073 31.436 31.823 -0.766 0.000 0.651 125 V HN 0.268 nan 8.190 nan 0.000 0.449 126 V N -0.937 118.936 119.914 -0.069 0.000 2.789 126 V HA 0.681 4.801 4.120 0.001 0.000 0.311 126 V C -0.528 175.613 176.094 0.079 0.000 1.073 126 V CA -0.225 62.171 62.300 0.159 0.000 0.921 126 V CB 1.911 33.928 31.823 0.324 0.000 1.009 126 V HN 0.278 nan 8.190 nan 0.000 0.426 127 S N 1.089 116.914 115.700 0.207 0.000 2.588 127 S HA 0.633 5.103 4.470 0.001 0.000 0.275 127 S C -0.634 174.376 174.600 0.682 0.000 1.130 127 S CA -0.463 57.843 58.200 0.177 0.000 0.855 127 S CB 0.719 63.925 63.200 0.010 0.000 1.116 127 S HN 1.009 nan 8.310 nan 0.000 0.472 128 H N 0.176 119.456 119.070 0.350 0.000 2.626 128 H HA -0.184 4.372 4.556 0.001 0.000 0.317 128 H C 0.857 176.519 175.328 0.556 0.000 1.140 128 H CA 0.842 57.217 56.048 0.545 0.000 1.134 128 H CB -1.689 28.582 29.762 0.849 0.000 1.486 128 H HN 0.648 nan 8.280 nan 0.000 0.417 129 A N -0.940 122.323 122.820 0.737 0.000 2.238 129 A HA 0.323 4.644 4.320 0.001 0.000 0.210 129 A C 0.333 178.062 177.584 0.241 0.000 1.179 129 A CA 0.175 52.575 52.037 0.604 0.000 0.827 129 A CB 0.388 19.762 19.000 0.624 0.000 0.856 129 A HN 0.194 nan 8.150 nan 0.000 0.488 130 F N -0.900 119.188 119.950 0.230 0.000 2.507 130 F HA 0.552 5.079 4.527 0.001 0.000 0.327 130 F C 0.896 176.726 175.800 0.051 0.000 1.068 130 F CA -0.794 57.269 58.000 0.106 0.000 0.965 130 F CB 1.598 40.638 39.000 0.066 0.000 1.192 130 F HN -0.059 nan 8.300 nan 0.000 0.476 131 S N 0.030 115.838 115.700 0.181 0.000 2.632 131 S HA 0.194 4.665 4.470 0.001 0.000 0.267 131 S C 0.214 174.884 174.600 0.116 0.000 1.276 131 S CA -0.508 57.758 58.200 0.110 0.000 0.998 131 S CB 0.469 63.707 63.200 0.064 0.000 0.953 131 S HN 0.641 nan 8.310 nan 0.000 0.547 132 D N 0.676 121.137 120.400 0.101 0.000 2.431 132 D HA 0.075 4.715 4.640 0.001 0.000 0.213 132 D C 0.474 176.810 176.300 0.060 0.000 1.130 132 D CA 0.165 54.229 54.000 0.107 0.000 0.834 132 D CB 0.156 41.058 40.800 0.170 0.000 0.985 132 D HN 0.735 nan 8.370 nan 0.000 0.504 133 D N 0.202 120.628 120.400 0.043 0.000 2.378 133 D HA -0.016 4.625 4.640 0.001 0.000 0.222 133 D C 1.631 177.919 176.300 -0.021 0.000 0.980 133 D CA 0.956 54.963 54.000 0.011 0.000 0.907 133 D CB -0.152 40.656 40.800 0.013 0.000 0.899 133 D HN 0.181 nan 8.370 nan 0.000 0.527 134 G N -0.495 108.291 108.800 -0.023 0.000 2.176 134 G HA2 -0.329 3.632 3.960 0.001 0.000 0.232 134 G HA3 -0.329 3.632 3.960 0.001 0.000 0.232 134 G C 1.162 176.043 174.900 -0.032 0.000 0.986 134 G CA 0.717 45.779 45.100 -0.064 0.000 0.643 134 G HN 0.662 nan 8.290 nan 0.000 0.522 135 S N -0.477 115.224 115.700 0.003 0.000 2.446 135 S HA 0.397 4.868 4.470 0.001 0.000 0.225 135 S C 2.329 176.952 174.600 0.039 0.000 1.016 135 S CA 1.576 59.783 58.200 0.012 0.000 0.943 135 S CB 0.121 63.332 63.200 0.017 0.000 0.786 135 S HN 2.353 nan 8.310 nan 0.000 0.508 136 G N 0.566 109.414 108.800 0.080 0.000 2.143 136 G HA2 -0.061 3.900 3.960 0.001 0.000 0.249 136 G HA3 -0.061 3.900 3.960 0.001 0.000 0.249 136 G C 0.351 175.401 174.900 0.250 0.000 0.981 136 G CA 0.020 45.202 45.100 0.137 0.000 0.665 136 G HN 1.078 nan 8.290 nan 0.000 0.528 137 G N -0.989 107.912 108.800 0.168 0.000 2.552 137 G HA2 0.642 4.603 3.960 0.001 0.000 0.318 137 G HA3 0.642 4.603 3.960 0.001 0.000 0.318 137 G C 0.180 175.043 174.900 -0.062 0.000 1.240 137 G CA -0.903 44.247 45.100 0.082 0.000 1.002 137 G HN 0.321 nan 8.290 nan 0.000 0.493 138 R N -0.175 120.155 120.500 -0.284 0.000 2.643 138 R HA 0.133 4.474 4.340 0.001 0.000 0.270 138 R C 0.774 176.992 176.300 -0.136 0.000 1.061 138 R CA -0.242 55.619 56.100 -0.398 0.000 1.107 138 R CB 0.517 30.656 30.300 -0.268 0.000 0.999 138 R HN 0.786 nan 8.270 nan 0.000 0.460 139 R N 0.061 120.510 120.500 -0.084 0.000 2.459 139 R HA 0.164 4.505 4.340 0.001 0.000 0.281 139 R C -0.571 175.690 176.300 -0.064 0.000 1.050 139 R CA -0.612 55.458 56.100 -0.050 0.000 1.055 139 R CB 0.510 30.775 30.300 -0.059 0.000 1.045 139 R HN 0.400 nan 8.270 nan 0.000 0.495 140 D N 1.806 122.168 120.400 -0.064 0.000 2.358 140 D HA 0.109 4.749 4.640 0.001 0.000 0.258 140 D C -0.966 175.272 176.300 -0.103 0.000 1.223 140 D CA 0.449 54.408 54.000 -0.069 0.000 0.886 140 D CB 0.661 41.431 40.800 -0.051 0.000 1.120 140 D HN 0.679 nan 8.370 nan 0.000 0.482 141 S N 2.546 118.171 115.700 -0.126 0.000 2.625 141 S HA 0.270 4.741 4.470 0.001 0.000 0.271 141 S C 0.980 175.463 174.600 -0.195 0.000 1.161 141 S CA -0.849 57.257 58.200 -0.157 0.000 0.820 141 S CB 1.004 64.096 63.200 -0.180 0.000 1.137 141 S HN 0.458 nan 8.310 nan 0.000 0.470 142 N N 1.160 119.740 118.700 -0.200 0.000 2.166 142 N HA -0.119 4.621 4.740 0.001 0.000 0.186 142 N C 1.582 176.909 175.510 -0.305 0.000 1.019 142 N CA 1.408 54.333 53.050 -0.208 0.000 0.856 142 N CB -0.941 37.434 38.487 -0.187 0.000 0.993 142 N HN 0.667 nan 8.380 nan 0.000 0.426 143 L N 0.056 120.990 121.223 -0.481 0.000 2.056 143 L HA -0.124 4.217 4.340 0.001 0.000 0.207 143 L C 2.848 179.084 176.870 -1.057 0.000 1.078 143 L CA 1.313 55.646 54.840 -0.846 0.000 0.749 143 L CB -0.486 40.754 42.059 -1.365 0.000 0.901 143 L HN 0.218 nan 8.230 nan 0.000 0.433 144 Q N 0.557 119.879 119.800 -0.797 0.000 2.167 144 Q HA -0.139 4.201 4.340 0.001 0.000 0.202 144 Q C 2.018 177.941 176.000 -0.129 0.000 0.970 144 Q CA 1.428 57.035 55.803 -0.328 0.000 0.855 144 Q CB -0.017 28.695 28.738 -0.043 0.000 0.911 144 Q HN 0.271 nan 8.270 nan 0.000 0.438 145 R N -0.486 119.918 120.500 -0.160 0.000 2.323 145 R HA 0.021 4.362 4.340 0.001 0.000 0.198 145 R C 1.327 177.591 176.300 -0.059 0.000 0.988 145 R CA 1.144 57.195 56.100 -0.082 0.000 1.041 145 R CB 0.061 30.311 30.300 -0.083 0.000 0.926 145 R HN 0.411 nan 8.270 nan 0.000 0.476 146 T N -3.216 111.291 114.554 -0.078 0.000 3.060 146 T HA 0.259 4.610 4.350 0.001 0.000 0.249 146 T C 0.696 175.428 174.700 0.052 0.000 1.079 146 T CA 0.276 62.363 62.100 -0.022 0.000 1.013 146 T CB 0.999 69.843 68.868 -0.040 0.000 0.975 146 T HN 0.238 nan 8.240 nan 0.000 0.518 147 G N 0.965 109.822 108.800 0.094 0.000 2.312 147 G HA2 0.047 4.007 3.960 0.001 0.000 0.322 147 G HA3 0.047 4.007 3.960 0.001 0.000 0.322 147 G C -0.179 174.894 174.900 0.287 0.000 1.645 147 G CA -0.399 44.792 45.100 0.153 0.000 0.919 147 G HN 0.079 nan 8.290 nan 0.000 0.699 148 N N 0.483 119.309 118.700 0.209 0.000 2.519 148 N HA -0.099 4.641 4.740 0.001 0.000 0.186 148 N C 1.737 177.348 175.510 0.167 0.000 1.062 148 N CA 1.837 55.011 53.050 0.208 0.000 0.910 148 N CB 0.226 38.772 38.487 0.098 0.000 0.958 148 N HN 0.629 nan 8.380 nan 0.000 0.445 149 D N -0.582 119.924 120.400 0.176 0.000 2.328 149 D HA -0.104 4.537 4.640 0.001 0.000 0.226 149 D C 1.677 178.066 176.300 0.149 0.000 1.066 149 D CA -0.176 53.899 54.000 0.125 0.000 0.861 149 D CB -0.889 39.975 40.800 0.106 0.000 0.912 149 D HN 0.546 nan 8.370 nan 0.000 0.521 150 W N 1.467 122.826 121.300 0.097 0.000 2.342 150 W HA -0.105 4.555 4.660 0.001 0.000 0.297 150 W C 1.465 178.076 176.519 0.153 0.000 1.213 150 W CA 0.149 57.556 57.345 0.103 0.000 1.251 150 W CB -1.024 28.488 29.460 0.086 0.000 1.136 150 W HN -0.089 nan 8.180 nan 0.000 0.526 151 I N 1.329 121.511 120.570 -0.646 0.000 2.179 151 I HA -0.288 3.882 4.170 0.001 0.000 0.242 151 I C 2.801 178.950 176.117 0.054 0.000 1.088 151 I CA 2.201 63.221 61.300 -0.467 0.000 1.357 151 I CB -0.798 36.936 38.000 -0.444 0.000 1.051 151 I HN 0.010 nan 8.210 nan 0.000 0.409 152 E N 1.026 121.227 120.200 0.003 0.000 2.085 152 E HA -0.207 4.143 4.350 0.001 0.000 0.194 152 E C 2.300 178.872 176.600 -0.046 0.000 0.994 152 E CA 1.599 57.880 56.400 -0.197 0.000 0.801 152 E CB 0.141 29.727 29.700 -0.192 0.000 0.743 152 E HN 0.279 nan 8.360 nan 0.000 0.453 153 V N 1.138 121.071 119.914 0.032 0.000 2.343 153 V HA -0.260 3.860 4.120 0.001 0.000 0.247 153 V C 2.452 178.586 176.094 0.066 0.000 1.051 153 V CA 1.711 64.047 62.300 0.061 0.000 1.036 153 V CB -0.778 31.110 31.823 0.110 0.000 0.654 153 V HN 0.426 nan 8.190 nan 0.000 0.451 154 A N -0.381 122.488 122.820 0.082 0.000 1.908 154 A HA -0.200 4.120 4.320 0.001 0.000 0.218 154 A C 2.046 179.569 177.584 -0.102 0.000 1.181 154 A CA 1.931 53.972 52.037 0.007 0.000 0.627 154 A CB -0.717 18.282 19.000 -0.003 0.000 0.818 154 A HN 0.468 nan 8.150 nan 0.000 0.445 155 F N -0.279 119.644 119.950 -0.045 0.000 2.146 155 F HA -0.081 4.446 4.527 0.001 0.000 0.298 155 F C 2.605 178.363 175.800 -0.069 0.000 1.096 155 F CA 1.661 59.624 58.000 -0.061 0.000 1.275 155 F CB -0.266 38.654 39.000 -0.133 0.000 1.008 155 F HN 0.088 nan 8.300 nan 0.000 0.480 156 R N -0.519 120.032 120.500 0.085 0.000 2.096 156 R HA -0.126 4.215 4.340 0.001 0.000 0.235 156 R C 2.083 178.393 176.300 0.017 0.000 1.127 156 R CA 1.891 58.008 56.100 0.028 0.000 0.968 156 R CB -0.986 29.313 30.300 -0.002 0.000 0.861 156 R HN 0.225 nan 8.270 nan 0.000 0.440 157 T N 0.914 115.473 114.554 0.008 0.000 2.708 157 T HA -0.136 4.214 4.350 0.001 0.000 0.266 157 T C 1.981 176.659 174.700 -0.038 0.000 1.037 157 T CA 1.436 63.531 62.100 -0.008 0.000 1.146 157 T CB -0.281 68.586 68.868 -0.001 0.000 0.865 157 T HN 0.381 nan 8.240 nan 0.000 0.435 158 A N 1.900 124.680 122.820 -0.067 0.000 1.883 158 A HA -0.160 4.160 4.320 0.001 0.000 0.217 158 A C 2.250 179.811 177.584 -0.039 0.000 1.186 158 A CA 2.175 54.148 52.037 -0.107 0.000 0.624 158 A CB -0.612 18.288 19.000 -0.166 0.000 0.822 158 A HN 0.353 nan 8.150 nan 0.000 0.444 159 R N 0.212 120.722 120.500 0.016 0.000 2.083 159 R HA -0.097 4.244 4.340 0.001 0.000 0.237 159 R C 2.121 178.431 176.300 0.016 0.000 1.137 159 R CA 2.175 58.298 56.100 0.039 0.000 0.951 159 R CB -0.880 29.452 30.300 0.053 0.000 0.851 159 R HN 0.405 nan 8.270 nan 0.000 0.434 160 A N 0.115 122.937 122.820 0.003 0.000 1.898 160 A HA 0.019 4.339 4.320 0.001 0.000 0.216 160 A C 2.399 179.974 177.584 -0.016 0.000 1.181 160 A CA 1.680 53.715 52.037 -0.004 0.000 0.620 160 A CB -1.077 17.921 19.000 -0.005 0.000 0.819 160 A HN 0.508 nan 8.150 nan 0.000 0.442 161 A N -1.260 121.539 122.820 -0.035 0.000 1.902 161 A HA -0.023 4.298 4.320 0.001 0.000 0.217 161 A C 0.980 178.539 177.584 -0.042 0.000 1.181 161 A CA 1.838 53.841 52.037 -0.057 0.000 0.623 161 A CB -0.121 18.817 19.000 -0.103 0.000 0.818 161 A HN 0.426 nan 8.150 nan 0.000 0.443 162 D N -2.869 117.519 120.400 -0.020 0.000 2.337 162 D HA 0.333 4.974 4.640 0.001 0.000 0.238 162 D C -2.582 173.748 176.300 0.049 0.000 1.331 162 D CA -1.454 52.558 54.000 0.021 0.000 0.967 162 D CB 1.139 41.972 40.800 0.054 0.000 1.382 162 D HN -0.090 nan 8.370 nan 0.000 0.549 163 P HA 0.045 nan 4.420 nan 0.000 0.230 163 P C 0.911 178.250 177.300 0.064 0.000 1.158 163 P CA 0.616 63.745 63.100 0.049 0.000 0.769 163 P CB 0.418 32.138 31.700 0.034 0.000 0.807 164 A N -0.843 122.018 122.820 0.069 0.000 2.123 164 A HA 0.380 4.701 4.320 0.001 0.000 0.214 164 A C 1.273 178.916 177.584 0.097 0.000 1.152 164 A CA 0.429 52.509 52.037 0.072 0.000 0.728 164 A CB -0.672 18.364 19.000 0.060 0.000 0.814 164 A HN 0.226 nan 8.150 nan 0.000 0.464 165 A N 0.271 123.173 122.820 0.137 0.000 2.310 165 A HA 0.545 4.866 4.320 0.001 0.000 0.299 165 A C 0.000 177.690 177.584 0.176 0.000 1.147 165 A CA -0.559 51.587 52.037 0.181 0.000 0.818 165 A CB 0.305 19.511 19.000 0.344 0.000 1.096 165 A HN 0.337 nan 8.150 nan 0.000 0.495 166 K N 1.606 122.102 120.400 0.159 0.000 2.322 166 K HA 0.359 4.680 4.320 0.001 0.000 0.283 166 K C -0.995 175.740 176.600 0.225 0.000 1.042 166 K CA 0.152 56.539 56.287 0.166 0.000 0.958 166 K CB 0.598 33.180 32.500 0.138 0.000 0.984 166 K HN 0.583 nan 8.250 nan 0.000 0.473 167 L N 4.303 125.684 121.223 0.263 0.000 2.257 167 L HA 0.322 4.663 4.340 0.001 0.000 0.290 167 L C -0.409 176.738 176.870 0.462 0.000 1.044 167 L CA -0.889 54.171 54.840 0.367 0.000 0.810 167 L CB 0.834 43.160 42.059 0.445 0.000 1.193 167 L HN 0.655 nan 8.230 nan 0.000 0.425 168 c N 1.980 120.831 118.600 0.418 0.000 2.454 168 c HA 0.469 5.040 4.570 0.001 0.000 0.336 168 c C -0.226 174.158 174.090 0.489 0.000 1.189 168 c CA -0.988 55.567 56.329 0.377 0.000 1.877 168 c CB 1.384 44.009 42.510 0.192 0.000 2.348 168 c HN 0.622 nan 8.230 nan 0.000 0.508 169 Y N 2.522 123.025 120.300 0.339 0.000 2.331 169 Y HA 0.534 5.085 4.550 0.001 0.000 0.338 169 Y C -0.235 175.699 175.900 0.055 0.000 0.992 169 Y CA -0.282 58.010 58.100 0.320 0.000 1.121 169 Y CB 0.520 39.124 38.460 0.240 0.000 1.184 169 Y HN 0.798 nan 8.280 nan 0.000 0.469 170 N N 4.250 122.504 118.700 -0.744 0.000 2.321 170 N HA 0.442 5.182 4.740 0.001 0.000 0.299 170 N C -2.008 173.097 175.510 -0.676 0.000 1.048 170 N CA -0.305 52.408 53.050 -0.562 0.000 0.836 170 N CB 1.352 39.678 38.487 -0.269 0.000 1.269 170 N HN 0.773 nan 8.380 nan 0.000 0.486 171 D N 0.183 120.290 120.400 -0.487 0.000 2.671 171 D HA 0.231 4.872 4.640 0.001 0.000 0.273 171 D C -1.452 174.696 176.300 -0.253 0.000 1.264 171 D CA -0.280 53.499 54.000 -0.368 0.000 0.788 171 D CB 0.878 41.539 40.800 -0.230 0.000 1.324 171 D HN 0.420 nan 8.370 nan 0.000 0.424 172 Y N -0.343 119.797 120.300 -0.267 0.000 2.602 172 Y HA 0.571 5.121 4.550 0.001 0.000 0.330 172 Y C 0.617 176.475 175.900 -0.070 0.000 1.114 172 Y CA -0.926 57.073 58.100 -0.168 0.000 1.182 172 Y CB 0.501 38.912 38.460 -0.081 0.000 1.305 172 Y HN 0.289 nan 8.280 nan 0.000 0.502 173 N N 0.411 119.100 118.700 -0.019 0.000 2.725 173 N HA -0.208 4.532 4.740 0.001 0.000 0.249 173 N C -0.299 175.148 175.510 -0.105 0.000 1.103 173 N CA 1.465 54.457 53.050 -0.096 0.000 0.707 173 N CB -1.427 37.123 38.487 0.105 0.000 1.043 173 N HN 0.888 nan 8.380 nan 0.000 0.553 174 I N -4.045 116.484 120.570 -0.068 0.000 3.833 174 I HA 0.319 4.489 4.170 0.001 0.000 0.328 174 I C 0.857 177.129 176.117 0.259 0.000 1.554 174 I CA -0.453 60.885 61.300 0.063 0.000 1.116 174 I CB 0.567 38.567 38.000 -0.001 0.000 1.182 174 I HN -0.246 nan 8.210 nan 0.000 0.459 175 E N 1.142 121.395 120.200 0.088 0.000 2.140 175 E HA 0.075 4.425 4.350 0.001 0.000 0.191 175 E C 0.749 177.439 176.600 0.150 0.000 0.973 175 E CA 0.379 56.873 56.400 0.158 0.000 0.829 175 E CB 0.044 29.595 29.700 -0.248 0.000 0.781 175 E HN 0.361 nan 8.360 nan 0.000 0.466 176 N N 0.788 119.398 118.700 -0.149 0.000 2.411 176 N HA -0.076 4.665 4.740 0.001 0.000 0.259 176 N C 0.101 175.672 175.510 0.101 0.000 1.103 176 N CA -0.042 52.918 53.050 -0.151 0.000 0.954 176 N CB 0.329 38.438 38.487 -0.629 0.000 1.085 176 N HN 0.290 nan 8.380 nan 0.000 0.485 177 W N 3.641 124.963 121.300 0.036 0.000 2.364 177 W HA -0.191 4.469 4.660 0.001 0.000 0.281 177 W C 1.248 177.828 176.519 0.101 0.000 1.219 177 W CA 1.868 59.251 57.345 0.064 0.000 1.220 177 W CB 0.096 29.558 29.460 0.005 0.000 1.127 177 W HN 0.620 nan 8.180 nan 0.000 0.556 178 T N -2.858 111.779 114.554 0.138 0.000 3.085 178 T HA -0.127 4.223 4.350 0.001 0.000 0.263 178 T C 0.282 175.075 174.700 0.156 0.000 1.127 178 T CA 0.064 62.217 62.100 0.089 0.000 1.103 178 T CB -0.638 68.346 68.868 0.192 0.000 0.921 178 T HN -0.062 nan 8.240 nan 0.000 0.510 179 W N 1.301 122.535 121.300 -0.109 0.000 2.190 179 W HA 0.695 5.356 4.660 0.001 0.000 0.330 179 W C 1.563 178.000 176.519 -0.137 0.000 1.299 179 W CA -1.105 56.189 57.345 -0.084 0.000 1.215 179 W CB 0.433 29.878 29.460 -0.025 0.000 1.147 179 W HN 0.168 nan 8.180 nan 0.000 0.563 180 A N 2.865 125.714 122.820 0.048 0.000 1.933 180 A HA -0.211 4.110 4.320 0.001 0.000 0.218 180 A C 2.018 179.616 177.584 0.023 0.000 1.175 180 A CA 1.753 53.783 52.037 -0.012 0.000 0.628 180 A CB -0.484 18.497 19.000 -0.031 0.000 0.814 180 A HN 0.720 nan 8.150 nan 0.000 0.444 181 K N -0.744 119.717 120.400 0.101 0.000 2.097 181 K HA -0.129 4.191 4.320 0.001 0.000 0.206 181 K C 1.948 178.528 176.600 -0.032 0.000 1.049 181 K CA 1.795 58.125 56.287 0.071 0.000 0.933 181 K CB -0.281 32.300 32.500 0.134 0.000 0.717 181 K HN 0.465 nan 8.250 nan 0.000 0.442 182 T N 1.352 115.934 114.554 0.046 0.000 2.746 182 T HA -0.123 4.228 4.350 0.001 0.000 0.267 182 T C 1.756 176.441 174.700 -0.025 0.000 1.039 182 T CA 1.033 63.171 62.100 0.063 0.000 1.142 182 T CB -0.112 68.820 68.868 0.106 0.000 0.866 182 T HN 0.259 nan 8.240 nan 0.000 0.444 183 Q N 0.564 120.257 119.800 -0.178 0.000 2.119 183 Q HA 0.021 4.362 4.340 0.001 0.000 0.201 183 Q C 2.723 178.663 176.000 -0.100 0.000 0.972 183 Q CA 1.535 57.206 55.803 -0.220 0.000 0.847 183 Q CB -1.038 27.542 28.738 -0.264 0.000 0.903 183 Q HN 0.619 nan 8.270 nan 0.000 0.433 184 G N 0.380 109.101 108.800 -0.131 0.000 2.421 184 G HA2 -0.190 3.771 3.960 0.001 0.000 0.216 184 G HA3 -0.190 3.771 3.960 0.001 0.000 0.216 184 G C 1.624 176.242 174.900 -0.470 0.000 1.171 184 G CA 1.058 46.074 45.100 -0.141 0.000 0.775 184 G HN 0.276 nan 8.290 nan 0.000 0.543 185 V N -0.113 119.352 119.914 -0.748 0.000 2.358 185 V HA -0.188 3.933 4.120 0.001 0.000 0.246 185 V C 2.277 178.290 176.094 -0.134 0.000 1.047 185 V CA 1.756 63.651 62.300 -0.675 0.000 1.035 185 V CB -0.749 30.843 31.823 -0.386 0.000 0.658 185 V HN 0.463 nan 8.190 nan 0.000 0.452 186 Y N 2.151 122.412 120.300 -0.065 0.000 2.097 186 Y HA -0.273 4.277 4.550 0.001 0.000 0.282 186 Y C 2.568 178.315 175.900 -0.255 0.000 1.152 186 Y CA 2.110 60.040 58.100 -0.284 0.000 1.136 186 Y CB -0.477 37.782 38.460 -0.335 0.000 0.975 186 Y HN 0.296 nan 8.280 nan 0.000 0.498 187 N N 0.168 118.750 118.700 -0.198 0.000 2.104 187 N HA -0.252 4.488 4.740 0.001 0.000 0.190 187 N C 2.071 177.387 175.510 -0.323 0.000 1.024 187 N CA 1.844 54.748 53.050 -0.243 0.000 0.853 187 N CB -0.615 37.819 38.487 -0.089 0.000 1.008 187 N HN 0.544 nan 8.380 nan 0.000 0.424 188 M N 0.737 120.130 119.600 -0.345 0.000 2.086 188 M HA -0.115 4.366 4.480 0.001 0.000 0.261 188 M C 1.704 177.529 176.300 -0.792 0.000 1.067 188 M CA 1.352 56.316 55.300 -0.560 0.000 1.116 188 M CB 0.037 32.321 32.600 -0.526 0.000 1.348 188 M HN -0.133 nan 8.290 nan 0.000 0.407 189 V N 0.577 120.161 119.914 -0.550 0.000 2.343 189 V HA -0.265 3.856 4.120 0.001 0.000 0.247 189 V C 2.489 178.410 176.094 -0.287 0.000 1.051 189 V CA 2.245 64.332 62.300 -0.355 0.000 1.036 189 V CB -1.049 30.735 31.823 -0.066 0.000 0.654 189 V HN 0.560 nan 8.190 nan 0.000 0.451 190 R N 0.361 120.605 120.500 -0.428 0.000 2.073 190 R HA -0.238 4.103 4.340 0.001 0.000 0.234 190 R C 2.154 178.334 176.300 -0.201 0.000 1.134 190 R CA 2.294 58.175 56.100 -0.366 0.000 0.952 190 R CB -0.487 29.491 30.300 -0.538 0.000 0.850 190 R HN 0.616 nan 8.270 nan 0.000 0.433 191 D N -0.391 119.880 120.400 -0.215 0.000 2.104 191 D HA -0.203 4.437 4.640 0.001 0.000 0.194 191 D C 1.664 178.003 176.300 0.065 0.000 0.994 191 D CA 1.408 55.351 54.000 -0.094 0.000 0.830 191 D CB -0.124 40.598 40.800 -0.129 0.000 0.959 191 D HN 0.167 nan 8.370 nan 0.000 0.452 192 F N 1.032 120.900 119.950 -0.138 0.000 2.095 192 F HA -0.116 4.411 4.527 0.001 0.000 0.298 192 F C 2.339 178.072 175.800 -0.111 0.000 1.104 192 F CA 0.990 58.907 58.000 -0.139 0.000 1.232 192 F CB -0.839 38.036 39.000 -0.209 0.000 0.987 192 F HN 0.027 nan 8.300 nan 0.000 0.475 193 K N 0.439 120.895 120.400 0.094 0.000 2.097 193 K HA -0.152 4.168 4.320 0.001 0.000 0.206 193 K C 1.945 178.552 176.600 0.012 0.000 1.049 193 K CA 1.047 57.351 56.287 0.027 0.000 0.933 193 K CB -0.813 31.684 32.500 -0.004 0.000 0.717 193 K HN 0.452 nan 8.250 nan 0.000 0.442 194 Q N 0.233 120.035 119.800 0.004 0.000 2.119 194 Q HA -0.051 4.289 4.340 0.001 0.000 0.201 194 Q C 1.862 177.868 176.000 0.010 0.000 0.972 194 Q CA 1.116 56.918 55.803 -0.002 0.000 0.847 194 Q CB -0.060 28.669 28.738 -0.014 0.000 0.903 194 Q HN 0.260 nan 8.270 nan 0.000 0.433 195 R N -0.679 119.836 120.500 0.027 0.000 2.310 195 R HA 0.088 4.429 4.340 0.001 0.000 0.202 195 R C 0.865 177.165 176.300 0.000 0.000 0.933 195 R CA 0.551 56.663 56.100 0.020 0.000 1.054 195 R CB 0.549 30.872 30.300 0.040 0.000 0.985 195 R HN 0.388 nan 8.270 nan 0.000 0.489 196 G N 0.996 109.794 108.800 -0.003 0.000 2.143 196 G HA2 -0.250 3.710 3.960 0.001 0.000 0.249 196 G HA3 -0.250 3.710 3.960 0.001 0.000 0.249 196 G C 0.222 175.087 174.900 -0.058 0.000 0.981 196 G CA -0.017 45.071 45.100 -0.020 0.000 0.665 196 G HN 0.138 nan 8.290 nan 0.000 0.528 197 V N 2.877 122.726 119.914 -0.109 0.000 2.540 197 V HA 0.262 4.382 4.120 0.001 0.000 0.297 197 V C -0.879 175.087 176.094 -0.213 0.000 1.024 197 V CA -0.361 61.777 62.300 -0.269 0.000 1.105 197 V CB 0.860 32.265 31.823 -0.696 0.000 0.938 197 V HN 0.318 nan 8.190 nan 0.000 0.482 198 P HA 0.215 nan 4.420 nan 0.000 0.263 198 P C -0.575 176.711 177.300 -0.023 0.000 1.345 198 P CA 0.485 63.564 63.100 -0.035 0.000 1.119 198 P CB 0.436 32.154 31.700 0.031 0.000 1.363 199 I N 2.743 123.270 120.570 -0.072 0.000 2.534 199 I HA 0.263 4.434 4.170 0.001 0.000 0.288 199 I C -0.006 176.140 176.117 0.049 0.000 1.077 199 I CA -0.673 60.571 61.300 -0.093 0.000 1.051 199 I CB 2.444 40.232 38.000 -0.354 0.000 1.234 199 I HN 0.000 nan 8.210 nan 0.000 0.425 200 D N 5.922 126.403 120.400 0.134 0.000 2.423 200 D HA 0.174 4.815 4.640 0.001 0.000 0.208 200 D C -0.099 176.287 176.300 0.144 0.000 1.068 200 D CA 0.447 54.525 54.000 0.130 0.000 0.860 200 D CB 0.666 41.550 40.800 0.141 0.000 0.992 200 D HN 0.576 nan 8.370 nan 0.000 0.504 201 c N -0.854 117.849 118.600 0.172 0.000 3.288 201 c HA 0.778 5.349 4.570 0.001 0.000 0.318 201 c C -0.647 173.539 174.090 0.160 0.000 1.356 201 c CA -0.993 55.437 56.329 0.168 0.000 1.359 201 c CB 1.637 44.245 42.510 0.162 0.000 1.688 201 c HN -0.108 nan 8.230 nan 0.000 0.467 202 V N 1.361 121.341 119.914 0.110 0.000 2.531 202 V HA 0.782 4.902 4.120 0.001 0.000 0.301 202 V C 0.605 176.592 176.094 -0.179 0.000 1.034 202 V CA 0.210 62.468 62.300 -0.070 0.000 0.865 202 V CB 1.748 33.423 31.823 -0.246 0.000 0.995 202 V HN 1.357 nan 8.190 nan 0.000 0.424 203 G N 3.467 112.097 108.800 -0.283 0.000 2.343 203 G HA2 0.638 4.598 3.960 0.001 0.000 0.319 203 G HA3 0.638 4.598 3.960 0.001 0.000 0.319 203 G C -1.121 173.502 174.900 -0.461 0.000 1.126 203 G CA -0.259 44.714 45.100 -0.212 0.000 0.889 203 G HN 0.427 nan 8.290 nan 0.000 0.457 204 F N 1.324 121.223 119.950 -0.085 0.000 2.332 204 F HA 0.294 4.821 4.527 0.001 0.000 0.368 204 F C 1.671 177.355 175.800 -0.194 0.000 1.110 204 F CA -0.673 57.275 58.000 -0.087 0.000 1.087 204 F CB 1.936 41.016 39.000 0.134 0.000 1.235 204 F HN 0.536 nan 8.300 nan 0.000 0.470 205 Q N 1.227 120.904 119.800 -0.206 0.000 2.152 205 Q HA -0.184 4.157 4.340 0.001 0.000 0.206 205 Q C 0.678 176.303 176.000 -0.624 0.000 0.985 205 Q CA 1.560 57.102 55.803 -0.436 0.000 0.863 205 Q CB -0.171 28.333 28.738 -0.390 0.000 0.904 205 Q HN 0.775 nan 8.270 nan 0.000 0.422 206 S N 0.343 115.675 115.700 -0.614 0.000 3.706 206 S HA -0.117 4.354 4.470 0.001 0.000 0.363 206 S C -0.749 173.173 174.600 -1.130 0.000 0.999 206 S CA 0.113 57.662 58.200 -1.086 0.000 1.143 206 S CB -1.476 61.358 63.200 -0.610 0.000 0.902 206 S HN 0.408 nan 8.310 nan 0.000 0.476 207 H N 0.667 119.348 119.070 -0.649 0.000 2.914 207 H HA 0.338 4.894 4.556 0.001 0.000 0.264 207 H C 0.035 175.173 175.328 -0.318 0.000 1.433 207 H CA -0.218 55.658 56.048 -0.287 0.000 1.342 207 H CB -0.274 29.479 29.762 -0.015 0.000 1.582 207 H HN 0.283 nan 8.280 nan 0.000 0.525 208 F N 2.928 122.912 119.950 0.058 0.000 2.394 208 F HA 0.189 4.716 4.527 0.001 0.000 0.340 208 F C 0.805 176.624 175.800 0.031 0.000 1.105 208 F CA -0.640 57.365 58.000 0.008 0.000 1.124 208 F CB 0.920 39.892 39.000 -0.047 0.000 1.145 208 F HN 0.523 nan 8.300 nan 0.000 0.505 209 N N -2.048 116.794 118.700 0.237 0.000 3.106 209 N HA 0.203 4.944 4.740 0.001 0.000 0.253 209 N C -0.014 175.574 175.510 0.130 0.000 1.506 209 N CA -0.419 52.716 53.050 0.143 0.000 0.876 209 N CB 0.539 39.080 38.487 0.091 0.000 1.452 209 N HN 0.219 nan 8.380 nan 0.000 0.542 210 S N -2.297 113.461 115.700 0.096 0.000 2.507 210 S HA 0.034 4.504 4.470 0.001 0.000 0.235 210 S C 1.499 176.166 174.600 0.111 0.000 0.988 210 S CA 0.962 59.216 58.200 0.091 0.000 0.944 210 S CB -1.105 62.136 63.200 0.068 0.000 0.762 210 S HN 0.786 nan 8.310 nan 0.000 0.526 211 G N 1.141 110.014 108.800 0.123 0.000 2.453 211 G HA2 0.178 4.138 3.960 0.001 0.000 0.215 211 G HA3 0.178 4.138 3.960 0.001 0.000 0.215 211 G C 0.611 175.652 174.900 0.235 0.000 1.147 211 G CA 0.432 45.623 45.100 0.152 0.000 0.802 211 G HN 0.907 nan 8.290 nan 0.000 0.535 212 S N 0.958 116.791 115.700 0.220 0.000 2.293 212 S HA 0.484 4.955 4.470 0.001 0.000 0.154 212 S C -2.986 171.726 174.600 0.187 0.000 1.602 212 S CA -1.248 57.086 58.200 0.222 0.000 1.260 212 S CB 2.420 65.728 63.200 0.179 0.000 1.270 212 S HN 0.110 nan 8.310 nan 0.000 0.416 213 P HA 0.121 nan 4.420 nan 0.000 0.272 213 P C -0.387 176.898 177.300 -0.024 0.000 1.223 213 P CA -0.289 62.873 63.100 0.104 0.000 0.784 213 P CB 0.483 32.223 31.700 0.066 0.000 0.923 214 Y N 2.648 122.701 120.300 -0.411 0.000 2.497 214 Y HA 0.191 4.741 4.550 0.001 0.000 0.334 214 Y C 0.042 175.700 175.900 -0.402 0.000 1.199 214 Y CA 0.324 57.862 58.100 -0.938 0.000 1.425 214 Y CB 0.326 38.015 38.460 -1.285 0.000 1.291 214 Y HN 0.367 nan 8.280 nan 0.000 0.562 215 N N 2.324 120.270 118.700 -1.256 0.000 2.235 215 N HA 0.081 4.821 4.740 0.001 0.000 0.293 215 N C 0.273 175.138 175.510 -1.074 0.000 1.083 215 N CA 0.219 52.769 53.050 -0.835 0.000 0.801 215 N CB 2.122 40.394 38.487 -0.359 0.000 1.559 215 N HN 0.824 nan 8.380 nan 0.000 0.472 216 S N 2.250 117.599 115.700 -0.586 0.000 2.440 216 S HA -0.244 4.227 4.470 0.001 0.000 0.240 216 S C 1.214 175.715 174.600 -0.165 0.000 1.014 216 S CA 1.551 59.591 58.200 -0.267 0.000 0.980 216 S CB -0.569 62.590 63.200 -0.068 0.000 0.775 216 S HN 0.789 nan 8.310 nan 0.000 0.499 217 N N 1.030 119.639 118.700 -0.153 0.000 2.571 217 N HA -0.055 4.686 4.740 0.001 0.000 0.189 217 N C 1.006 176.525 175.510 0.016 0.000 1.154 217 N CA 0.435 53.455 53.050 -0.050 0.000 0.907 217 N CB -0.976 37.526 38.487 0.025 0.000 0.977 217 N HN 0.446 nan 8.380 nan 0.000 0.449 218 F N 1.820 121.643 119.950 -0.212 0.000 2.171 218 F HA 0.029 4.556 4.527 0.001 0.000 0.300 218 F C 2.307 178.037 175.800 -0.117 0.000 1.090 218 F CA 0.936 58.858 58.000 -0.130 0.000 1.293 218 F CB -0.352 38.604 39.000 -0.073 0.000 1.013 218 F HN 0.098 nan 8.300 nan 0.000 0.486 219 R N -0.371 120.029 120.500 -0.166 0.000 2.081 219 R HA -0.138 4.203 4.340 0.001 0.000 0.235 219 R C 1.977 178.114 176.300 -0.271 0.000 1.131 219 R CA 2.027 57.958 56.100 -0.282 0.000 0.960 219 R CB -0.552 29.666 30.300 -0.138 0.000 0.856 219 R HN 0.289 nan 8.270 nan 0.000 0.436 220 T N -0.073 114.352 114.554 -0.214 0.000 2.746 220 T HA -0.102 4.249 4.350 0.001 0.000 0.267 220 T C 1.717 176.204 174.700 -0.356 0.000 1.039 220 T CA 1.827 63.751 62.100 -0.293 0.000 1.142 220 T CB -0.338 68.343 68.868 -0.313 0.000 0.866 220 T HN 0.357 nan 8.240 nan 0.000 0.444 221 T N 2.617 117.062 114.554 -0.183 0.000 2.708 221 T HA 0.018 4.369 4.350 0.001 0.000 0.266 221 T C 2.002 176.706 174.700 0.007 0.000 1.037 221 T CA 0.935 63.074 62.100 0.064 0.000 1.146 221 T CB -0.523 68.546 68.868 0.335 0.000 0.865 221 T HN 0.251 nan 8.240 nan 0.000 0.435 222 L N 0.652 121.661 121.223 -0.356 0.000 2.042 222 L HA -0.182 4.158 4.340 0.001 0.000 0.210 222 L C 2.904 179.698 176.870 -0.127 0.000 1.076 222 L CA 1.528 56.126 54.840 -0.403 0.000 0.749 222 L CB -0.617 41.054 42.059 -0.647 0.000 0.893 222 L HN 0.335 nan 8.230 nan 0.000 0.432 223 Q N -0.394 119.300 119.800 -0.176 0.000 2.119 223 Q HA -0.163 4.177 4.340 0.001 0.000 0.201 223 Q C 2.042 177.984 176.000 -0.096 0.000 0.972 223 Q CA 1.274 56.999 55.803 -0.130 0.000 0.847 223 Q CB -0.074 28.560 28.738 -0.173 0.000 0.903 223 Q HN 0.486 nan 8.270 nan 0.000 0.433 224 N N 0.017 118.611 118.700 -0.176 0.000 2.142 224 N HA -0.113 4.628 4.740 0.001 0.000 0.186 224 N C 1.400 176.957 175.510 0.079 0.000 1.023 224 N CA 1.120 54.040 53.050 -0.217 0.000 0.852 224 N CB -0.244 37.793 38.487 -0.750 0.000 0.998 224 N HN 0.173 nan 8.380 nan 0.000 0.424 225 F N 1.349 121.397 119.950 0.163 0.000 2.163 225 F HA 0.017 4.545 4.527 0.001 0.000 0.297 225 F C 2.370 178.258 175.800 0.148 0.000 1.094 225 F CA 0.883 59.049 58.000 0.277 0.000 1.290 225 F CB -0.491 38.733 39.000 0.374 0.000 1.017 225 F HN -0.002 nan 8.300 nan 0.000 0.483 226 A N -0.019 122.953 122.820 0.254 0.000 1.978 226 A HA -0.117 4.203 4.320 0.001 0.000 0.220 226 A C 2.326 179.964 177.584 0.090 0.000 1.170 226 A CA 1.639 53.759 52.037 0.137 0.000 0.636 226 A CB -1.242 17.793 19.000 0.058 0.000 0.810 226 A HN 0.302 nan 8.150 nan 0.000 0.448 227 A N -0.597 122.264 122.820 0.068 0.000 2.121 227 A HA 0.107 4.427 4.320 0.001 0.000 0.218 227 A C 1.909 179.518 177.584 0.043 0.000 1.154 227 A CA 1.079 53.138 52.037 0.036 0.000 0.679 227 A CB -0.471 18.534 19.000 0.008 0.000 0.795 227 A HN 0.483 nan 8.150 nan 0.000 0.458 228 L N -1.510 119.750 121.223 0.061 0.000 2.478 228 L HA 0.138 4.479 4.340 0.001 0.000 0.223 228 L C 1.594 178.483 176.870 0.030 0.000 1.140 228 L CA 0.652 55.502 54.840 0.016 0.000 0.842 228 L CB -0.166 41.870 42.059 -0.037 0.000 0.953 228 L HN 0.580 nan 8.230 nan 0.000 0.452 229 G N 0.665 109.498 108.800 0.056 0.000 2.131 229 G HA2 -0.192 3.769 3.960 0.001 0.000 0.201 229 G HA3 -0.192 3.769 3.960 0.001 0.000 0.201 229 G C 0.001 174.945 174.900 0.074 0.000 1.000 229 G CA 0.006 45.138 45.100 0.053 0.000 0.680 229 G HN 0.209 nan 8.290 nan 0.000 0.514 230 V N -3.085 116.895 119.914 0.110 0.000 2.960 230 V HA 0.882 5.002 4.120 0.001 0.000 0.315 230 V C -0.177 176.003 176.094 0.142 0.000 1.087 230 V CA -1.471 60.908 62.300 0.132 0.000 0.982 230 V CB 2.110 34.036 31.823 0.172 0.000 1.039 230 V HN 0.034 nan 8.190 nan 0.000 0.437 231 D N 1.301 121.780 120.400 0.132 0.000 2.354 231 D HA 0.601 5.242 4.640 0.001 0.000 0.247 231 D C -0.048 176.346 176.300 0.157 0.000 1.138 231 D CA 0.125 54.199 54.000 0.122 0.000 0.958 231 D CB 2.047 42.913 40.800 0.110 0.000 1.144 231 D HN 0.944 nan 8.370 nan 0.000 0.458 232 V N -3.020 116.976 119.914 0.138 0.000 2.914 232 V HA 0.945 5.065 4.120 0.001 0.000 0.314 232 V C -0.945 175.236 176.094 0.144 0.000 1.084 232 V CA -0.960 61.456 62.300 0.194 0.000 0.963 232 V CB 1.569 33.492 31.823 0.166 0.000 1.025 232 V HN 0.686 nan 8.190 nan 0.000 0.432 233 A N 3.467 126.415 122.820 0.213 0.000 2.520 233 A HA 0.847 5.167 4.320 0.001 0.000 0.298 233 A C -0.967 176.742 177.584 0.208 0.000 1.051 233 A CA -0.653 51.477 52.037 0.154 0.000 0.690 233 A CB 1.537 20.641 19.000 0.174 0.000 1.281 233 A HN 0.966 nan 8.150 nan 0.000 0.402 234 I N 2.955 123.603 120.570 0.129 0.000 2.291 234 I HA 0.187 4.358 4.170 0.001 0.000 0.292 234 I C 1.541 177.690 176.117 0.054 0.000 1.064 234 I CA 0.043 61.432 61.300 0.148 0.000 1.269 234 I CB 1.435 39.518 38.000 0.138 0.000 1.418 234 I HN 0.907 nan 8.210 nan 0.000 0.485 235 T N 0.944 115.493 114.554 -0.008 0.000 3.044 235 T HA 0.141 4.491 4.350 0.001 0.000 0.255 235 T C 0.829 175.430 174.700 -0.165 0.000 1.073 235 T CA 0.419 62.471 62.100 -0.080 0.000 1.125 235 T CB 0.076 68.858 68.868 -0.144 0.000 0.908 235 T HN 0.584 nan 8.240 nan 0.000 0.480 236 E N 0.829 120.834 120.200 -0.325 0.000 3.843 236 E HA 0.315 4.665 4.350 0.001 0.000 0.189 236 E C -1.068 175.313 176.600 -0.365 0.000 1.013 236 E CA -0.481 55.660 56.400 -0.432 0.000 1.395 236 E CB 0.674 29.656 29.700 -1.196 0.000 1.136 236 E HN 0.234 nan 8.360 nan 0.000 0.444 237 L N 2.966 124.116 121.223 -0.122 0.000 2.559 237 L HA 0.090 4.431 4.340 0.001 0.000 0.274 237 L C -0.675 176.305 176.870 0.184 0.000 1.205 237 L CA 0.775 55.593 54.840 -0.036 0.000 0.907 237 L CB 0.080 42.186 42.059 0.078 0.000 1.153 237 L HN 0.159 nan 8.230 nan 0.000 0.490 238 D N 4.115 124.612 120.400 0.163 0.000 2.803 238 D HA 0.479 5.120 4.640 0.001 0.000 0.218 238 D C -0.997 175.406 176.300 0.170 0.000 1.245 238 D CA -0.334 53.853 54.000 0.311 0.000 0.821 238 D CB 0.605 41.705 40.800 0.500 0.000 1.626 238 D HN 0.389 nan 8.370 nan 0.000 0.487 239 I N 0.875 121.512 120.570 0.111 0.000 2.447 239 I HA 0.226 4.397 4.170 0.001 0.000 0.287 239 I C -0.088 176.103 176.117 0.125 0.000 1.023 239 I CA -0.944 60.389 61.300 0.054 0.000 1.083 239 I CB 2.077 39.933 38.000 -0.240 0.000 1.245 239 I HN 0.390 nan 8.210 nan 0.000 0.434 240 Q N 5.193 125.064 119.800 0.118 0.000 2.264 240 Q HA 0.126 4.466 4.340 0.001 0.000 0.296 240 Q C 1.154 177.205 176.000 0.085 0.000 1.103 240 Q CA 1.450 57.309 55.803 0.093 0.000 0.967 240 Q CB 0.357 29.138 28.738 0.073 0.000 1.090 240 Q HN 1.022 nan 8.270 nan 0.000 0.379 241 G N 3.188 112.041 108.800 0.089 0.000 2.225 241 G HA2 -0.335 3.625 3.960 0.001 0.000 0.254 241 G HA3 -0.335 3.625 3.960 0.001 0.000 0.254 241 G C 0.509 175.471 174.900 0.104 0.000 0.988 241 G CA 0.154 45.299 45.100 0.075 0.000 0.625 241 G HN 1.875 nan 8.290 nan 0.000 0.527 242 A N -0.953 121.971 122.820 0.173 0.000 2.687 242 A HA 0.090 4.410 4.320 0.001 0.000 0.299 242 A C 1.302 179.031 177.584 0.242 0.000 1.497 242 A CA 1.843 54.068 52.037 0.313 0.000 0.751 242 A CB -1.953 17.216 19.000 0.282 0.000 1.048 242 A HN 2.480 nan 8.150 nan 0.000 0.464 243 S N 0.042 115.824 115.700 0.136 0.000 2.575 243 S HA 0.304 4.775 4.470 0.001 0.000 0.295 243 S C 1.552 176.221 174.600 0.116 0.000 1.267 243 S CA 0.445 58.686 58.200 0.070 0.000 1.074 243 S CB 0.493 63.700 63.200 0.012 0.000 0.829 243 S HN 1.058 nan 8.310 nan 0.000 0.497 244 S N 4.346 120.079 115.700 0.054 0.000 2.370 244 S HA -0.101 4.369 4.470 0.001 0.000 0.226 244 S C 2.202 176.836 174.600 0.057 0.000 1.033 244 S CA 1.665 59.902 58.200 0.061 0.000 1.011 244 S CB -0.487 62.711 63.200 -0.004 0.000 0.852 244 S HN 0.812 nan 8.310 nan 0.000 0.457 245 S N 1.142 116.849 115.700 0.011 0.000 2.368 245 S HA -0.095 4.375 4.470 0.001 0.000 0.225 245 S C 2.133 176.699 174.600 -0.056 0.000 1.030 245 S CA 1.545 59.742 58.200 -0.005 0.000 0.999 245 S CB -0.633 62.563 63.200 -0.007 0.000 0.844 245 S HN 0.600 nan 8.310 nan 0.000 0.459 246 T N 0.708 115.205 114.554 -0.095 0.000 2.777 246 T HA -0.053 4.297 4.350 0.001 0.000 0.266 246 T C 1.518 176.034 174.700 -0.307 0.000 1.040 246 T CA 1.105 63.034 62.100 -0.285 0.000 1.141 246 T CB -0.421 68.285 68.868 -0.269 0.000 0.868 246 T HN 0.342 nan 8.240 nan 0.000 0.444 247 Y N 1.570 121.793 120.300 -0.128 0.000 2.181 247 Y HA -0.003 4.547 4.550 0.001 0.000 0.288 247 Y C 2.676 178.539 175.900 -0.063 0.000 1.146 247 Y CA 0.684 58.750 58.100 -0.056 0.000 1.164 247 Y CB -0.706 37.757 38.460 0.005 0.000 0.982 247 Y HN 0.204 nan 8.280 nan 0.000 0.515 248 A N -0.459 122.416 122.820 0.091 0.000 1.930 248 A HA -0.073 4.248 4.320 0.001 0.000 0.217 248 A C 2.425 180.000 177.584 -0.016 0.000 1.175 248 A CA 1.564 53.623 52.037 0.038 0.000 0.627 248 A CB -1.195 17.819 19.000 0.024 0.000 0.815 248 A HN 0.405 nan 8.150 nan 0.000 0.443 249 A N -0.431 122.325 122.820 -0.106 0.000 1.877 249 A HA -0.029 4.291 4.320 0.001 0.000 0.216 249 A C 2.214 179.711 177.584 -0.147 0.000 1.186 249 A CA 1.859 53.807 52.037 -0.147 0.000 0.620 249 A CB -0.966 17.863 19.000 -0.284 0.000 0.822 249 A HN 0.398 nan 8.150 nan 0.000 0.443 250 V N -0.252 119.501 119.914 -0.267 0.000 2.407 250 V HA -0.217 3.903 4.120 0.001 0.000 0.248 250 V C 2.725 178.871 176.094 0.088 0.000 1.055 250 V CA 2.418 64.694 62.300 -0.040 0.000 1.049 250 V CB -1.268 30.537 31.823 -0.030 0.000 0.662 250 V HN 0.611 nan 8.190 nan 0.000 0.455 251 T N 0.320 114.931 114.554 0.095 0.000 2.708 251 T HA -0.166 4.184 4.350 0.001 0.000 0.266 251 T C 1.822 176.559 174.700 0.061 0.000 1.037 251 T CA 1.600 63.777 62.100 0.129 0.000 1.146 251 T CB -0.369 68.586 68.868 0.145 0.000 0.865 251 T HN 0.417 nan 8.240 nan 0.000 0.435 252 N N 1.224 119.944 118.700 0.033 0.000 2.309 252 N HA -0.072 4.669 4.740 0.001 0.000 0.182 252 N C 1.418 176.925 175.510 -0.004 0.000 1.018 252 N CA 0.773 53.830 53.050 0.012 0.000 0.876 252 N CB -0.285 38.207 38.487 0.009 0.000 0.972 252 N HN 0.385 nan 8.380 nan 0.000 0.434 253 D N 0.204 120.607 120.400 0.004 0.000 2.117 253 D HA -0.093 4.548 4.640 0.001 0.000 0.198 253 D C 1.998 178.231 176.300 -0.113 0.000 0.982 253 D CA 0.511 54.480 54.000 -0.052 0.000 0.828 253 D CB -0.475 40.305 40.800 -0.034 0.000 0.967 253 D HN 0.187 nan 8.370 nan 0.000 0.464 254 c N 0.496 119.050 118.600 -0.077 0.000 2.446 254 c HA -0.024 4.547 4.570 0.001 0.000 0.277 254 c C 2.778 176.824 174.090 -0.073 0.000 1.275 254 c CA 0.270 56.541 56.329 -0.096 0.000 1.727 254 c CB -1.224 41.249 42.510 -0.061 0.000 2.010 254 c HN 0.279 nan 8.230 nan 0.000 0.486 255 L N 1.080 122.280 121.223 -0.040 0.000 2.191 255 L HA -0.070 4.271 4.340 0.001 0.000 0.212 255 L C 2.741 179.587 176.870 -0.041 0.000 1.103 255 L CA 1.410 56.231 54.840 -0.031 0.000 0.769 255 L CB -0.554 41.498 42.059 -0.012 0.000 0.908 255 L HN 0.446 nan 8.230 nan 0.000 0.438 256 A N -0.823 121.965 122.820 -0.053 0.000 2.208 256 A HA 0.173 4.493 4.320 0.001 0.000 0.209 256 A C 0.791 178.332 177.584 -0.072 0.000 1.161 256 A CA 0.239 52.241 52.037 -0.058 0.000 0.782 256 A CB -0.005 18.959 19.000 -0.061 0.000 0.816 256 A HN 0.130 nan 8.150 nan 0.000 0.477 257 V N 1.334 121.198 119.914 -0.083 0.000 2.326 257 V HA 0.148 4.268 4.120 0.001 0.000 0.281 257 V C 1.418 177.477 176.094 -0.057 0.000 1.015 257 V CA 0.179 62.429 62.300 -0.084 0.000 0.823 257 V CB 0.924 32.673 31.823 -0.123 0.000 1.009 257 V HN 0.574 nan 8.190 nan 0.000 0.436 258 S N 4.507 120.183 115.700 -0.039 0.000 2.402 258 S HA -0.178 4.293 4.470 0.001 0.000 0.233 258 S C 1.563 176.154 174.600 -0.015 0.000 1.030 258 S CA 1.018 59.204 58.200 -0.023 0.000 1.003 258 S CB -0.221 62.970 63.200 -0.014 0.000 0.813 258 S HN 0.671 nan 8.310 nan 0.000 0.477 259 R N 0.149 120.642 120.500 -0.011 0.000 2.313 259 R HA 0.194 4.534 4.340 0.001 0.000 0.199 259 R C 0.356 176.658 176.300 0.003 0.000 0.958 259 R CA 0.072 56.178 56.100 0.010 0.000 1.047 259 R CB -0.901 29.418 30.300 0.033 0.000 0.955 259 R HN 0.496 nan 8.270 nan 0.000 0.481 260 c N 1.892 120.471 118.600 -0.036 0.000 2.442 260 c HA 0.200 4.770 4.570 0.001 0.000 0.362 260 c C 2.037 176.076 174.090 -0.084 0.000 1.242 260 c CA -0.618 55.674 56.329 -0.062 0.000 1.741 260 c CB -1.032 41.413 42.510 -0.107 0.000 2.378 260 c HN 0.443 nan 8.230 nan 0.000 0.549 261 L N 5.464 126.646 121.223 -0.069 0.000 2.141 261 L HA 0.234 4.575 4.340 0.001 0.000 0.209 261 L C 1.543 178.117 176.870 -0.493 0.000 1.094 261 L CA 1.168 55.949 54.840 -0.099 0.000 0.763 261 L CB -0.727 41.398 42.059 0.109 0.000 0.908 261 L HN 0.944 nan 8.230 nan 0.000 0.437 262 G N -0.675 107.708 108.800 -0.695 0.000 2.315 262 G HA2 0.393 4.354 3.960 0.001 0.000 0.294 262 G HA3 0.393 4.354 3.960 0.001 0.000 0.294 262 G C -1.816 172.675 174.900 -0.682 0.000 1.300 262 G CA -0.786 43.604 45.100 -1.183 0.000 0.843 262 G HN -0.097 nan 8.290 nan 0.000 0.527 263 I N 0.358 120.599 120.570 -0.548 0.000 2.498 263 I HA 0.542 4.712 4.170 0.001 0.000 0.290 263 I C -0.424 175.456 176.117 -0.395 0.000 1.032 263 I CA -0.667 60.419 61.300 -0.357 0.000 1.073 263 I CB 2.703 40.465 38.000 -0.395 0.000 1.251 263 I HN 0.373 nan 8.210 nan 0.000 0.426 264 T N 5.252 119.714 114.554 -0.153 0.000 2.812 264 T HA 0.463 4.814 4.350 0.001 0.000 0.282 264 T C -0.318 174.359 174.700 -0.038 0.000 0.990 264 T CA -0.542 61.501 62.100 -0.096 0.000 0.960 264 T CB 1.642 70.538 68.868 0.047 0.000 0.948 264 T HN 0.377 nan 8.240 nan 0.000 0.438 265 V N 1.192 121.107 119.914 0.001 0.000 2.567 265 V HA 0.474 4.595 4.120 0.001 0.000 0.289 265 V C 0.253 176.476 176.094 0.215 0.000 1.049 265 V CA -1.135 61.289 62.300 0.208 0.000 0.969 265 V CB 1.277 33.335 31.823 0.393 0.000 0.995 265 V HN 1.006 nan 8.190 nan 0.000 0.471 266 W N 5.068 126.399 121.300 0.051 0.000 1.371 266 W HA 0.537 5.197 4.660 0.001 0.000 0.482 266 W C 0.586 177.155 176.519 0.083 0.000 0.640 266 W CA 0.681 58.040 57.345 0.023 0.000 2.164 266 W CB -0.022 29.489 29.460 0.084 0.000 1.613 266 W HN 1.227 nan 8.180 nan 0.000 0.212 267 G N 0.002 108.714 108.800 -0.146 0.000 2.340 267 G HA2 -0.083 3.877 3.960 0.001 0.000 0.527 267 G HA3 -0.083 3.877 3.960 0.001 0.000 0.527 267 G C -0.577 174.320 174.900 -0.004 0.000 1.381 267 G CA -0.650 44.388 45.100 -0.104 0.000 1.001 267 G HN 0.032 nan 8.290 nan 0.000 0.626 268 V N 0.360 120.297 119.914 0.038 0.000 2.398 268 V HA 0.305 4.425 4.120 0.001 0.000 0.236 268 V C 1.529 177.754 176.094 0.218 0.000 1.054 268 V CA 1.519 63.865 62.300 0.077 0.000 1.060 268 V CB -0.417 31.290 31.823 -0.193 0.000 0.707 268 V HN 0.684 nan 8.190 nan 0.000 0.480 269 R N 0.466 121.083 120.500 0.195 0.000 2.720 269 R HA 0.306 4.646 4.340 0.001 0.000 0.272 269 R C 0.610 177.032 176.300 0.203 0.000 0.991 269 R CA -0.667 55.568 56.100 0.225 0.000 1.010 269 R CB 0.881 31.285 30.300 0.173 0.000 1.141 269 R HN 0.150 nan 8.270 nan 0.000 0.494 270 D N 0.660 121.173 120.400 0.189 0.000 2.158 270 D HA -0.160 4.480 4.640 0.001 0.000 0.197 270 D C 1.615 177.993 176.300 0.131 0.000 0.995 270 D CA 2.091 56.188 54.000 0.161 0.000 0.846 270 D CB -0.148 40.729 40.800 0.129 0.000 0.941 270 D HN 0.684 nan 8.370 nan 0.000 0.456 271 T N -1.719 112.902 114.554 0.112 0.000 3.051 271 T HA -0.088 4.263 4.350 0.001 0.000 0.269 271 T C 1.074 175.821 174.700 0.079 0.000 1.127 271 T CA 0.734 62.884 62.100 0.082 0.000 1.107 271 T CB 0.068 68.975 68.868 0.065 0.000 0.898 271 T HN -0.009 nan 8.240 nan 0.000 0.517 272 D N 1.096 121.561 120.400 0.108 0.000 2.360 272 D HA 0.157 4.797 4.640 0.001 0.000 0.210 272 D C 0.781 177.150 176.300 0.116 0.000 1.047 272 D CA 0.102 54.156 54.000 0.090 0.000 0.854 272 D CB 0.260 41.149 40.800 0.149 0.000 0.936 272 D HN 0.417 nan 8.370 nan 0.000 0.514 273 S N 1.101 116.903 115.700 0.169 0.000 2.576 273 S HA 0.041 4.512 4.470 0.001 0.000 0.276 273 S C 1.267 176.055 174.600 0.313 0.000 1.339 273 S CA -0.791 57.575 58.200 0.275 0.000 1.039 273 S CB 0.595 63.959 63.200 0.273 0.000 0.902 273 S HN 0.337 nan 8.310 nan 0.000 0.516 274 W N 4.925 126.298 121.300 0.122 0.000 2.699 274 W HA 0.180 4.841 4.660 0.001 0.000 0.249 274 W C 0.317 176.882 176.519 0.076 0.000 1.280 274 W CA -0.031 57.378 57.345 0.107 0.000 1.345 274 W CB -0.722 28.842 29.460 0.174 0.000 1.128 274 W HN 0.618 nan 8.180 nan 0.000 0.642 275 R N 1.506 121.875 120.500 -0.217 0.000 2.782 275 R HA 0.075 4.416 4.340 0.001 0.000 0.293 275 R C 1.679 177.929 176.300 -0.083 0.000 1.333 275 R CA 0.511 56.403 56.100 -0.346 0.000 1.479 275 R CB 0.421 30.325 30.300 -0.660 0.000 1.306 275 R HN 0.057 nan 8.270 nan 0.000 0.654 276 S N -0.901 114.798 115.700 -0.000 0.000 2.402 276 S HA -0.159 4.312 4.470 0.001 0.000 0.233 276 S C 1.998 176.611 174.600 0.022 0.000 1.030 276 S CA 1.437 59.662 58.200 0.042 0.000 1.003 276 S CB -0.203 63.027 63.200 0.051 0.000 0.813 276 S HN 0.548 nan 8.310 nan 0.000 0.477 277 G N 1.369 110.163 108.800 -0.011 0.000 2.470 277 G HA2 -0.133 3.828 3.960 0.001 0.000 0.220 277 G HA3 -0.133 3.828 3.960 0.001 0.000 0.220 277 G C 0.922 175.823 174.900 0.001 0.000 1.121 277 G CA 0.907 46.003 45.100 -0.007 0.000 0.766 277 G HN 0.539 nan 8.290 nan 0.000 0.553 278 D N 0.594 120.991 120.400 -0.006 0.000 2.328 278 D HA 0.051 4.691 4.640 0.001 0.000 0.221 278 D C 1.438 177.774 176.300 0.061 0.000 1.072 278 D CA 0.920 54.930 54.000 0.017 0.000 0.850 278 D CB -0.323 40.475 40.800 -0.004 0.000 0.922 278 D HN 0.356 nan 8.370 nan 0.000 0.516 279 T N -0.201 114.394 114.554 0.068 0.000 3.213 279 T HA -0.160 4.190 4.350 0.001 0.000 0.427 279 T C -1.666 173.119 174.700 0.142 0.000 0.772 279 T CA 0.141 62.298 62.100 0.096 0.000 2.150 279 T CB -0.939 67.970 68.868 0.068 0.000 1.655 279 T HN 0.168 nan 8.240 nan 0.000 0.584 280 P HA 0.323 nan 4.420 nan 0.000 0.255 280 P C 0.681 178.221 177.300 0.399 0.000 1.248 280 P CA -0.220 63.040 63.100 0.268 0.000 0.807 280 P CB 0.416 32.262 31.700 0.243 0.000 1.150 281 L N -0.977 120.447 121.223 0.334 0.000 2.578 281 L HA 0.373 4.713 4.340 0.001 0.000 0.259 281 L C 1.951 178.935 176.870 0.191 0.000 1.082 281 L CA -1.053 53.997 54.840 0.350 0.000 0.843 281 L CB 0.417 42.675 42.059 0.331 0.000 1.535 281 L HN -0.288 nan 8.230 nan 0.000 0.510 282 L N -0.689 120.626 121.223 0.153 0.000 2.529 282 L HA 0.204 4.545 4.340 0.001 0.000 0.223 282 L C -0.498 176.253 176.870 -0.198 0.000 1.113 282 L CA 0.333 55.130 54.840 -0.072 0.000 0.861 282 L CB 0.115 42.134 42.059 -0.067 0.000 1.012 282 L HN 0.226 nan 8.230 nan 0.000 0.461 283 F N -0.710 119.292 119.950 0.087 0.000 2.546 283 F HA 0.375 4.903 4.527 0.001 0.000 0.320 283 F C 0.499 176.322 175.800 0.038 0.000 1.076 283 F CA -1.034 56.987 58.000 0.035 0.000 0.928 283 F CB 1.055 40.076 39.000 0.034 0.000 1.189 283 F HN -0.172 nan 8.300 nan 0.000 0.465 284 N N 0.503 119.306 118.700 0.172 0.000 2.408 284 N HA 0.147 4.888 4.740 0.001 0.000 0.260 284 N C 1.167 176.750 175.510 0.123 0.000 1.242 284 N CA 0.447 53.560 53.050 0.105 0.000 0.959 284 N CB 1.051 39.560 38.487 0.037 0.000 1.201 284 N HN 0.878 nan 8.380 nan 0.000 0.511 285 G N 0.193 109.045 108.800 0.086 0.000 2.450 285 G HA2 -0.259 3.701 3.960 0.001 0.000 0.220 285 G HA3 -0.259 3.701 3.960 0.001 0.000 0.220 285 G C 0.726 175.663 174.900 0.063 0.000 1.130 285 G CA 0.983 46.130 45.100 0.077 0.000 0.760 285 G HN 0.719 nan 8.290 nan 0.000 0.557 286 D N -0.593 119.836 120.400 0.049 0.000 2.336 286 D HA 0.224 4.864 4.640 0.001 0.000 0.229 286 D C 1.706 178.031 176.300 0.042 0.000 1.061 286 D CA 0.654 54.674 54.000 0.034 0.000 0.875 286 D CB -0.575 40.234 40.800 0.015 0.000 0.904 286 D HN 0.512 nan 8.370 nan 0.000 0.525 287 G N 0.116 108.962 108.800 0.077 0.000 2.176 287 G HA2 -0.288 3.672 3.960 0.001 0.000 0.253 287 G HA3 -0.288 3.672 3.960 0.001 0.000 0.253 287 G C 0.363 175.369 174.900 0.177 0.000 0.979 287 G CA 0.366 45.527 45.100 0.102 0.000 0.641 287 G HN 0.823 nan 8.290 nan 0.000 0.530 288 S N -0.030 115.729 115.700 0.100 0.000 2.565 288 S HA 0.590 5.060 4.470 0.001 0.000 0.276 288 S C 0.275 174.851 174.600 -0.040 0.000 1.326 288 S CA -0.275 57.939 58.200 0.024 0.000 1.045 288 S CB 1.607 64.783 63.200 -0.041 0.000 0.918 288 S HN 0.453 nan 8.310 nan 0.000 0.505 289 K N 2.103 122.369 120.400 -0.223 0.000 2.368 289 K HA 0.175 4.495 4.320 0.001 0.000 0.282 289 K C 0.171 176.584 176.600 -0.310 0.000 1.035 289 K CA -0.043 55.904 56.287 -0.566 0.000 0.973 289 K CB 0.505 32.564 32.500 -0.735 0.000 0.957 289 K HN 0.562 nan 8.250 nan 0.000 0.474 290 K N 0.900 121.127 120.400 -0.288 0.000 2.098 290 K HA 0.190 4.510 4.320 0.001 0.000 0.244 290 K C 1.160 177.712 176.600 -0.081 0.000 1.014 290 K CA -0.300 55.899 56.287 -0.146 0.000 0.917 290 K CB 0.888 33.319 32.500 -0.114 0.000 1.072 290 K HN 0.630 nan 8.250 nan 0.000 0.477 291 A N 1.180 123.979 122.820 -0.035 0.000 1.940 291 A HA -0.225 4.095 4.320 0.001 0.000 0.219 291 A C 2.139 179.733 177.584 0.017 0.000 1.176 291 A CA 2.283 54.344 52.037 0.041 0.000 0.631 291 A CB -0.949 18.078 19.000 0.046 0.000 0.814 291 A HN 0.791 nan 8.150 nan 0.000 0.446 292 A N -1.616 121.179 122.820 -0.043 0.000 1.972 292 A HA -0.093 4.227 4.320 0.001 0.000 0.219 292 A C 2.064 179.525 177.584 -0.204 0.000 1.169 292 A CA 1.588 53.567 52.037 -0.098 0.000 0.635 292 A CB -0.734 18.179 19.000 -0.145 0.000 0.810 292 A HN 0.771 nan 8.150 nan 0.000 0.446 293 Y N 1.260 121.366 120.300 -0.324 0.000 2.145 293 Y HA -0.203 4.347 4.550 0.001 0.000 0.286 293 Y C 2.565 178.311 175.900 -0.256 0.000 1.145 293 Y CA 2.407 60.277 58.100 -0.384 0.000 1.148 293 Y CB -0.689 37.445 38.460 -0.544 0.000 0.981 293 Y HN 0.296 nan 8.280 nan 0.000 0.507 294 T N 0.725 115.283 114.554 0.006 0.000 2.821 294 T HA -0.153 4.198 4.350 0.001 0.000 0.267 294 T C 2.106 176.751 174.700 -0.092 0.000 1.046 294 T CA 1.279 63.374 62.100 -0.008 0.000 1.139 294 T CB -0.722 68.195 68.868 0.082 0.000 0.871 294 T HN 0.500 nan 8.240 nan 0.000 0.454 295 A N 0.962 123.747 122.820 -0.059 0.000 1.902 295 A HA -0.038 4.283 4.320 0.001 0.000 0.217 295 A C 2.572 180.101 177.584 -0.092 0.000 1.181 295 A CA 1.287 53.306 52.037 -0.030 0.000 0.623 295 A CB -0.949 18.064 19.000 0.023 0.000 0.818 295 A HN 0.357 nan 8.150 nan 0.000 0.443 296 V N -0.408 119.392 119.914 -0.190 0.000 2.307 296 V HA -0.207 3.914 4.120 0.001 0.000 0.245 296 V C 2.478 178.389 176.094 -0.305 0.000 1.045 296 V CA 1.866 64.033 62.300 -0.222 0.000 1.024 296 V CB -0.756 30.861 31.823 -0.343 0.000 0.651 296 V HN 0.577 nan 8.190 nan 0.000 0.449 297 L N 1.098 122.045 121.223 -0.461 0.000 2.042 297 L HA -0.201 4.139 4.340 0.001 0.000 0.210 297 L C 2.190 178.943 176.870 -0.195 0.000 1.076 297 L CA 2.521 57.124 54.840 -0.394 0.000 0.749 297 L CB -0.960 40.836 42.059 -0.438 0.000 0.893 297 L HN 0.487 nan 8.230 nan 0.000 0.432 298 N N -0.452 118.164 118.700 -0.140 0.000 2.120 298 N HA -0.176 4.564 4.740 0.001 0.000 0.188 298 N C 1.801 177.276 175.510 -0.058 0.000 1.024 298 N CA 1.644 54.651 53.050 -0.073 0.000 0.852 298 N CB -0.241 38.222 38.487 -0.041 0.000 1.003 298 N HN 0.461 nan 8.380 nan 0.000 0.424 299 A N 0.522 123.306 122.820 -0.059 0.000 1.902 299 A HA -0.043 4.277 4.320 0.001 0.000 0.217 299 A C 2.294 179.859 177.584 -0.031 0.000 1.181 299 A CA 1.108 53.127 52.037 -0.031 0.000 0.623 299 A CB -0.875 18.118 19.000 -0.013 0.000 0.818 299 A HN 0.380 nan 8.150 nan 0.000 0.443 300 L N -0.214 120.976 121.223 -0.055 0.000 2.131 300 L HA -0.148 4.192 4.340 0.001 0.000 0.210 300 L C 1.476 178.324 176.870 -0.038 0.000 1.092 300 L CA 0.902 55.717 54.840 -0.041 0.000 0.759 300 L CB -0.491 41.522 42.059 -0.077 0.000 0.903 300 L HN 0.348 nan 8.230 nan 0.000 0.435 301 N N 0.333 119.003 118.700 -0.050 0.000 2.449 301 N HA 0.026 4.767 4.740 0.001 0.000 0.191 301 N C 1.157 176.653 175.510 -0.024 0.000 1.161 301 N CA 0.930 53.959 53.050 -0.036 0.000 0.863 301 N CB 0.519 38.981 38.487 -0.041 0.000 0.980 301 N HN 0.387 nan 8.380 nan 0.000 0.458 302 G N -0.150 108.637 108.800 -0.021 0.000 2.182 302 G HA2 -0.205 3.755 3.960 0.001 0.000 0.248 302 G HA3 -0.205 3.755 3.960 0.001 0.000 0.248 302 G C 0.504 175.396 174.900 -0.013 0.000 1.042 302 G CA 0.153 45.244 45.100 -0.014 0.000 0.775 302 G HN 0.566 nan 8.290 nan 0.000 0.501 314 Q N -0.768 119.085 119.800 0.088 0.000 2.306 314 Q HA 0.564 4.905 4.340 0.001 0.000 0.241 314 Q C -0.395 175.674 176.000 0.114 0.000 0.948 314 Q CA -0.022 55.861 55.803 0.134 0.000 0.886 314 Q CB 2.017 30.811 28.738 0.093 0.000 1.227 314 Q HN 0.399 nan 8.270 nan 0.000 0.457 315 I N 2.086 122.721 120.570 0.108 0.000 2.420 315 I HA 0.262 4.433 4.170 0.001 0.000 0.282 315 I C -0.426 175.775 176.117 0.141 0.000 1.019 315 I CA -0.441 60.868 61.300 0.015 0.000 1.130 315 I CB 1.195 39.026 38.000 -0.282 0.000 1.262 315 I HN 0.368 nan 8.210 nan 0.000 0.454 316 K N 4.954 125.470 120.400 0.193 0.000 2.185 316 K HA 0.561 4.882 4.320 0.001 0.000 0.269 316 K C 0.164 176.906 176.600 0.237 0.000 0.987 316 K CA -0.487 55.926 56.287 0.210 0.000 0.865 316 K CB 1.574 34.137 32.500 0.106 0.000 1.090 316 K HN 0.706 nan 8.250 nan 0.000 0.450 317 G N 2.227 111.118 108.800 0.152 0.000 2.380 317 G HA2 0.133 4.093 3.960 0.001 0.000 0.262 317 G HA3 0.133 4.093 3.960 0.001 0.000 0.262 317 G C 0.915 175.656 174.900 -0.264 0.000 1.243 317 G CA -0.680 44.215 45.100 -0.342 0.000 0.865 317 G HN 0.501 nan 8.290 nan 0.000 0.513 318 V N 3.534 123.241 119.914 -0.345 0.000 2.307 318 V HA -0.116 4.005 4.120 0.001 0.000 0.245 318 V C 2.986 178.965 176.094 -0.192 0.000 1.045 318 V CA 2.506 64.676 62.300 -0.216 0.000 1.024 318 V CB -0.922 30.774 31.823 -0.210 0.000 0.651 318 V HN 0.795 nan 8.190 nan 0.000 0.449 319 G N -0.158 108.494 108.800 -0.245 0.000 2.422 319 G HA2 -0.220 3.740 3.960 0.001 0.000 0.218 319 G HA3 -0.220 3.740 3.960 0.001 0.000 0.218 319 G C 1.806 176.621 174.900 -0.141 0.000 1.140 319 G CA 1.359 46.350 45.100 -0.182 0.000 0.775 319 G HN 0.647 nan 8.290 nan 0.000 0.545 320 S N -1.203 114.406 115.700 -0.152 0.000 2.483 320 S HA 0.360 4.830 4.470 0.001 0.000 0.221 320 S C 1.970 176.529 174.600 -0.068 0.000 1.030 320 S CA 1.116 59.258 58.200 -0.097 0.000 0.925 320 S CB 0.047 63.198 63.200 -0.081 0.000 0.795 320 S HN 1.509 nan 8.310 nan 0.000 0.511 321 G N 1.514 110.273 108.800 -0.068 0.000 2.148 321 G HA2 -0.256 3.705 3.960 0.001 0.000 0.254 321 G HA3 -0.256 3.705 3.960 0.001 0.000 0.254 321 G C 0.099 174.997 174.900 -0.002 0.000 0.981 321 G CA 0.270 45.349 45.100 -0.035 0.000 0.670 321 G HN 0.611 nan 8.290 nan 0.000 0.528 322 R N -1.155 119.352 120.500 0.013 0.000 2.720 322 R HA 0.648 4.988 4.340 0.001 0.000 0.272 322 R C -0.050 176.334 176.300 0.140 0.000 0.991 322 R CA -0.434 55.702 56.100 0.060 0.000 1.010 322 R CB 1.326 31.649 30.300 0.039 0.000 1.141 322 R HN 0.198 nan 8.270 nan 0.000 0.494 323 c N 1.707 120.414 118.600 0.178 0.000 2.364 323 c HA 0.281 4.852 4.570 0.001 0.000 0.356 323 c C 0.037 174.266 174.090 0.232 0.000 1.201 323 c CA -0.714 55.742 56.329 0.212 0.000 2.227 323 c CB 0.536 43.163 42.510 0.194 0.000 2.387 323 c HN 0.593 nan 8.230 nan 0.000 0.546 324 L N 4.138 125.458 121.223 0.163 0.000 2.534 324 L HA 0.247 4.588 4.340 0.001 0.000 0.271 324 L C 0.029 177.079 176.870 0.299 0.000 1.178 324 L CA 1.245 56.109 54.840 0.040 0.000 0.907 324 L CB -0.299 41.487 42.059 -0.455 0.000 1.164 324 L HN 0.687 nan 8.230 nan 0.000 0.482 325 D N 3.926 124.487 120.400 0.269 0.000 2.738 325 D HA 0.256 4.896 4.640 0.001 0.000 0.237 325 D C -1.391 175.040 176.300 0.218 0.000 1.123 325 D CA -0.444 53.713 54.000 0.262 0.000 0.856 325 D CB 2.378 43.324 40.800 0.244 0.000 1.552 325 D HN 0.243 nan 8.370 nan 0.000 0.480 326 V N 4.442 124.450 119.914 0.157 0.000 2.368 326 V HA 0.266 4.386 4.120 0.001 0.000 0.266 326 V C -2.041 174.105 176.094 0.086 0.000 1.045 326 V CA -1.531 60.855 62.300 0.143 0.000 0.899 326 V CB 0.920 32.818 31.823 0.126 0.000 1.006 326 V HN 0.475 nan 8.190 nan 0.000 0.470 327 P HA -0.052 nan 4.420 nan 0.000 0.257 327 P C 0.527 177.827 177.300 0.001 0.000 1.162 327 P CA 0.681 63.787 63.100 0.010 0.000 0.762 327 P CB 0.031 31.753 31.700 0.037 0.000 0.753 328 N N 2.784 121.452 118.700 -0.054 0.000 2.693 328 N HA -0.299 4.441 4.740 0.001 0.000 0.249 328 N C 0.420 175.929 175.510 -0.002 0.000 1.119 328 N CA 1.323 54.351 53.050 -0.037 0.000 0.717 328 N CB -1.696 36.776 38.487 -0.025 0.000 1.071 328 N HN 0.722 nan 8.380 nan 0.000 0.555 329 A N -1.382 121.460 122.820 0.037 0.000 2.832 329 A HA -0.262 4.058 4.320 0.001 0.000 0.280 329 A C 0.765 178.369 177.584 0.034 0.000 1.464 329 A CA 1.460 53.558 52.037 0.101 0.000 0.804 329 A CB -1.914 17.120 19.000 0.057 0.000 1.020 329 A HN 0.962 nan 8.150 nan 0.000 0.563 330 S N -0.477 115.251 115.700 0.046 0.000 2.572 330 S HA 0.468 4.939 4.470 0.001 0.000 0.279 330 S C 1.388 175.963 174.600 -0.042 0.000 1.341 330 S CA 0.884 59.077 58.200 -0.011 0.000 1.043 330 S CB 0.639 63.858 63.200 0.030 0.000 0.887 330 S HN 1.597 nan 8.310 nan 0.000 0.516 331 T N 0.402 114.866 114.554 -0.150 0.000 3.132 331 T HA 0.244 4.595 4.350 0.001 0.000 0.274 331 T C 0.245 174.921 174.700 -0.040 0.000 1.011 331 T CA -0.382 61.605 62.100 -0.188 0.000 0.899 331 T CB -0.309 68.327 68.868 -0.387 0.000 1.089 331 T HN 0.506 nan 8.240 nan 0.000 0.543 332 T N 3.712 118.264 114.554 -0.003 0.000 2.834 332 T HA 0.214 4.564 4.350 0.001 0.000 0.298 332 T C -0.217 174.524 174.700 0.069 0.000 0.966 332 T CA -0.254 61.858 62.100 0.020 0.000 1.141 332 T CB 0.418 69.301 68.868 0.024 0.000 0.905 332 T HN 0.253 nan 8.240 nan 0.000 0.535 333 D N 2.075 122.508 120.400 0.055 0.000 2.455 333 D HA 0.361 5.002 4.640 0.001 0.000 0.241 333 D C 1.390 177.807 176.300 0.194 0.000 1.138 333 D CA 1.280 55.353 54.000 0.121 0.000 0.877 333 D CB 0.530 41.329 40.800 -0.002 0.000 1.187 333 D HN 0.855 nan 8.370 nan 0.000 0.451 334 G N 1.777 110.737 108.800 0.265 0.000 2.176 334 G HA2 -0.254 3.706 3.960 0.001 0.000 0.232 334 G HA3 -0.254 3.706 3.960 0.001 0.000 0.232 334 G C 0.465 175.455 174.900 0.150 0.000 0.986 334 G CA 0.125 45.347 45.100 0.202 0.000 0.643 334 G HN 0.560 nan 8.290 nan 0.000 0.522 335 T N 1.483 116.128 114.554 0.151 0.000 2.752 335 T HA 0.430 4.781 4.350 0.001 0.000 0.295 335 T C 0.430 175.212 174.700 0.136 0.000 0.923 335 T CA 0.218 62.394 62.100 0.127 0.000 1.112 335 T CB 1.446 70.388 68.868 0.124 0.000 0.884 335 T HN 0.522 nan 8.240 nan 0.000 0.525 336 Q N 3.415 123.283 119.800 0.112 0.000 2.332 336 Q HA 0.321 4.662 4.340 0.001 0.000 0.263 336 Q C 0.236 176.300 176.000 0.106 0.000 0.979 336 Q CA -0.697 55.169 55.803 0.105 0.000 0.885 336 Q CB 0.582 29.373 28.738 0.088 0.000 1.218 336 Q HN 0.647 nan 8.270 nan 0.000 0.405 337 V N 1.676 121.650 119.914 0.099 0.000 3.133 337 V HA 0.395 4.515 4.120 0.001 0.000 0.305 337 V C -0.346 175.799 176.094 0.085 0.000 1.084 337 V CA -0.296 62.065 62.300 0.101 0.000 1.089 337 V CB 1.129 32.986 31.823 0.057 0.000 1.073 337 V HN 1.008 nan 8.190 nan 0.000 0.477 338 Q N 2.021 121.888 119.800 0.111 0.000 2.857 338 Q HA 0.701 5.042 4.340 0.001 0.000 0.319 338 Q C -1.502 174.600 176.000 0.172 0.000 0.963 338 Q CA -1.153 54.729 55.803 0.132 0.000 0.770 338 Q CB 2.201 31.028 28.738 0.148 0.000 1.492 338 Q HN 0.672 nan 8.270 nan 0.000 0.493 339 L N 0.983 122.322 121.223 0.193 0.000 2.325 339 L HA 0.656 4.997 4.340 0.001 0.000 0.279 339 L C -1.281 175.756 176.870 0.278 0.000 1.054 339 L CA -0.836 54.133 54.840 0.214 0.000 0.804 339 L CB 1.061 43.212 42.059 0.154 0.000 1.200 339 L HN 0.653 nan 8.230 nan 0.000 0.436 340 Y N 0.779 121.150 120.300 0.118 0.000 2.565 340 Y HA 0.180 4.730 4.550 0.001 0.000 0.330 340 Y C -0.741 175.233 175.900 0.125 0.000 1.150 340 Y CA -1.185 56.982 58.100 0.113 0.000 1.055 340 Y CB 1.546 40.088 38.460 0.137 0.000 1.337 340 Y HN 0.555 nan 8.280 nan 0.000 0.457 341 D N 2.973 123.137 120.400 -0.394 0.000 2.658 341 D HA -0.028 4.612 4.640 0.001 0.000 0.230 341 D C -0.158 176.272 176.300 0.216 0.000 1.118 341 D CA 0.852 54.774 54.000 -0.130 0.000 0.848 341 D CB 0.378 41.014 40.800 -0.274 0.000 1.160 341 D HN 0.477 nan 8.370 nan 0.000 0.497 342 c N 4.660 123.369 118.600 0.182 0.000 2.637 342 c HA 0.306 4.877 4.570 0.001 0.000 0.418 342 c C 0.625 174.895 174.090 0.300 0.000 1.319 342 c CA -0.223 56.243 56.329 0.229 0.000 1.949 342 c CB -0.744 41.844 42.510 0.130 0.000 2.639 342 c HN 0.733 nan 8.230 nan 0.000 0.594 343 H N -1.053 118.078 119.070 0.102 0.000 3.003 343 H HA 0.280 4.837 4.556 0.001 0.000 0.327 343 H C -1.223 174.143 175.328 0.062 0.000 1.353 343 H CA -0.693 55.403 56.048 0.079 0.000 1.142 343 H CB 0.392 30.212 29.762 0.096 0.000 1.864 343 H HN 0.409 nan 8.280 nan 0.000 0.529 344 S N 0.479 116.181 115.700 0.004 0.000 2.465 344 S HA 0.549 5.020 4.470 0.001 0.000 0.307 344 S C -0.048 174.460 174.600 -0.153 0.000 1.187 344 S CA 0.347 58.506 58.200 -0.067 0.000 1.141 344 S CB -0.838 62.369 63.200 0.012 0.000 1.108 344 S HN 0.792 nan 8.310 nan 0.000 0.525 345 A N 2.567 125.229 122.820 -0.264 0.000 2.566 345 A HA 0.598 4.918 4.320 0.001 0.000 0.297 345 A C 0.959 178.433 177.584 -0.183 0.000 1.059 345 A CA -0.539 51.364 52.037 -0.224 0.000 0.691 345 A CB 0.487 19.257 19.000 -0.383 0.000 1.282 345 A HN 0.600 nan 8.150 nan 0.000 0.401 346 T N -0.557 113.934 114.554 -0.104 0.000 2.929 346 T HA -0.144 4.206 4.350 0.001 0.000 0.271 346 T C 1.029 175.565 174.700 -0.273 0.000 1.085 346 T CA 1.641 63.667 62.100 -0.123 0.000 1.125 346 T CB -0.538 68.341 68.868 0.019 0.000 0.874 346 T HN 0.800 nan 8.240 nan 0.000 0.494 347 N N 1.025 119.616 118.700 -0.182 0.000 2.515 347 N HA -0.029 4.712 4.740 0.001 0.000 0.191 347 N C 1.131 176.431 175.510 -0.350 0.000 1.182 347 N CA 0.193 53.068 53.050 -0.293 0.000 0.879 347 N CB -0.140 38.346 38.487 -0.000 0.000 0.984 347 N HN 0.582 nan 8.380 nan 0.000 0.453 348 Q N -0.669 118.932 119.800 -0.331 0.000 2.140 348 Q HA 0.186 4.526 4.340 0.001 0.000 0.227 348 Q C -0.533 175.334 176.000 -0.223 0.000 0.798 348 Q CA -0.196 55.517 55.803 -0.152 0.000 0.987 348 Q CB 0.867 29.568 28.738 -0.061 0.000 1.161 348 Q HN 0.253 nan 8.270 nan 0.000 0.480 349 Q N 0.213 119.735 119.800 -0.464 0.000 2.390 349 Q HA 0.174 4.515 4.340 0.001 0.000 0.249 349 Q C -1.241 174.439 176.000 -0.534 0.000 0.996 349 Q CA 0.240 55.842 55.803 -0.334 0.000 0.899 349 Q CB 0.467 29.062 28.738 -0.239 0.000 1.216 349 Q HN 0.119 nan 8.270 nan 0.000 0.465 350 W N 1.221 122.448 121.300 -0.121 0.000 2.573 350 W HA 0.401 5.061 4.660 0.001 0.000 0.326 350 W C 0.077 176.564 176.519 -0.053 0.000 1.049 350 W CA -0.543 56.733 57.345 -0.115 0.000 1.220 350 W CB 1.555 30.925 29.460 -0.151 0.000 1.373 350 W HN 0.175 nan 8.180 nan 0.000 0.507 351 T N 2.831 117.497 114.554 0.187 0.000 2.786 351 T HA 0.157 4.508 4.350 0.001 0.000 0.283 351 T C -1.485 173.350 174.700 0.225 0.000 0.992 351 T CA -0.478 61.714 62.100 0.153 0.000 0.954 351 T CB 0.362 69.274 68.868 0.074 0.000 0.934 351 T HN 0.160 nan 8.240 nan 0.000 0.440 352 Y N 4.540 124.880 120.300 0.066 0.000 2.452 352 Y HA 0.391 4.941 4.550 0.001 0.000 0.348 352 Y C 0.960 176.893 175.900 0.055 0.000 0.985 352 Y CA -1.036 57.100 58.100 0.060 0.000 1.214 352 Y CB 0.054 38.537 38.460 0.038 0.000 1.136 352 Y HN 0.718 nan 8.280 nan 0.000 0.523 353 T N 0.876 115.304 114.554 -0.209 0.000 2.881 353 T HA 0.163 4.514 4.350 0.001 0.000 0.278 353 T C 0.853 175.333 174.700 -0.366 0.000 0.982 353 T CA -0.653 61.323 62.100 -0.206 0.000 0.989 353 T CB 0.963 69.775 68.868 -0.093 0.000 1.058 353 T HN 0.570 nan 8.240 nan 0.000 0.529 354 D N 0.627 120.909 120.400 -0.196 0.000 2.263 354 D HA -0.015 4.626 4.640 0.001 0.000 0.208 354 D C 2.010 178.218 176.300 -0.153 0.000 0.971 354 D CA 1.192 55.095 54.000 -0.162 0.000 0.867 354 D CB -0.324 40.435 40.800 -0.068 0.000 0.929 354 D HN 0.753 nan 8.370 nan 0.000 0.492 355 A N -0.316 122.418 122.820 -0.144 0.000 2.208 355 A HA 0.368 4.689 4.320 0.001 0.000 0.209 355 A C 1.734 179.234 177.584 -0.140 0.000 1.161 355 A CA 1.087 53.060 52.037 -0.107 0.000 0.782 355 A CB 0.023 18.978 19.000 -0.075 0.000 0.816 355 A HN 0.237 nan 8.150 nan 0.000 0.477 356 G N -0.566 108.074 108.800 -0.267 0.000 2.141 356 G HA2 -0.195 3.766 3.960 0.001 0.000 0.231 356 G HA3 -0.195 3.766 3.960 0.001 0.000 0.231 356 G C -0.194 174.736 174.900 0.050 0.000 0.984 356 G CA 0.220 45.189 45.100 -0.218 0.000 0.660 356 G HN 0.616 nan 8.290 nan 0.000 0.525 357 E N -0.668 119.538 120.200 0.010 0.000 2.318 357 E HA 0.682 5.032 4.350 0.001 0.000 0.265 357 E C 0.147 176.942 176.600 0.324 0.000 1.069 357 E CA -0.584 55.945 56.400 0.214 0.000 0.893 357 E CB 1.322 31.092 29.700 0.117 0.000 1.076 357 E HN 0.198 nan 8.360 nan 0.000 0.414 358 L N 2.512 123.954 121.223 0.365 0.000 2.366 358 L HA 0.366 4.706 4.340 0.001 0.000 0.266 358 L C -0.192 176.904 176.870 0.376 0.000 1.010 358 L CA -0.353 54.665 54.840 0.297 0.000 0.879 358 L CB 0.654 42.686 42.059 -0.046 0.000 1.228 358 L HN 0.302 nan 8.230 nan 0.000 0.439 359 R N 1.762 122.432 120.500 0.284 0.000 2.457 359 R HA 0.675 5.015 4.340 0.001 0.000 0.284 359 R C -0.867 175.423 176.300 -0.016 0.000 1.024 359 R CA -0.569 55.631 56.100 0.167 0.000 1.025 359 R CB 2.672 33.026 30.300 0.090 0.000 1.063 359 R HN 0.258 nan 8.270 nan 0.000 0.493 360 V N 3.427 123.201 119.914 -0.234 0.000 2.888 360 V HA 0.222 4.343 4.120 0.001 0.000 0.309 360 V C -1.011 174.826 176.094 -0.429 0.000 1.114 360 V CA -0.384 61.493 62.300 -0.706 0.000 0.940 360 V CB 1.304 32.228 31.823 -1.499 0.000 1.021 360 V HN 0.927 nan 8.190 nan 0.000 0.426 361 Y N 3.977 124.141 120.300 -0.226 0.000 4.916 361 Y HA -0.235 4.315 4.550 0.001 0.000 0.247 361 Y C 1.710 177.559 175.900 -0.084 0.000 0.962 361 Y CA 1.684 59.700 58.100 -0.140 0.000 1.933 361 Y CB -1.936 36.452 38.460 -0.120 0.000 1.451 361 Y HN 1.757 nan 8.280 nan 0.000 0.539 362 G N -0.774 108.046 108.800 0.035 0.000 2.358 362 G HA2 -0.337 3.624 3.960 0.001 0.000 0.224 362 G HA3 -0.337 3.624 3.960 0.001 0.000 0.224 362 G C 0.490 175.421 174.900 0.051 0.000 1.073 362 G CA 0.610 45.731 45.100 0.035 0.000 0.635 362 G HN 0.495 nan 8.290 nan 0.000 0.509 363 D N 0.231 120.677 120.400 0.077 0.000 2.582 363 D HA 0.278 4.919 4.640 0.001 0.000 0.246 363 D C 0.237 176.600 176.300 0.105 0.000 1.334 363 D CA -0.001 54.046 54.000 0.078 0.000 0.805 363 D CB 0.179 41.014 40.800 0.058 0.000 1.087 363 D HN 0.214 nan 8.370 nan 0.000 0.499 364 K N 0.073 120.551 120.400 0.130 0.000 2.207 364 K HA 0.523 4.843 4.320 0.001 0.000 0.255 364 K C -0.755 175.955 176.600 0.183 0.000 0.941 364 K CA -0.545 55.843 56.287 0.168 0.000 0.825 364 K CB 1.829 34.471 32.500 0.237 0.000 1.119 364 K HN -0.017 nan 8.250 nan 0.000 0.430 365 c N 2.049 120.802 118.600 0.255 0.000 2.507 365 c HA 0.365 4.935 4.570 0.001 0.000 0.319 365 c C -0.170 174.145 174.090 0.374 0.000 1.208 365 c CA -0.976 55.536 56.329 0.305 0.000 1.619 365 c CB 1.064 43.738 42.510 0.275 0.000 2.230 365 c HN 0.746 nan 8.230 nan 0.000 0.492 366 L N 4.113 125.569 121.223 0.389 0.000 2.513 366 L HA 0.271 4.611 4.340 0.001 0.000 0.272 366 L C 0.031 177.185 176.870 0.474 0.000 1.187 366 L CA 1.378 56.372 54.840 0.258 0.000 0.895 366 L CB -0.050 41.861 42.059 -0.246 0.000 1.147 366 L HN 0.669 nan 8.230 nan 0.000 0.483 367 D N 4.386 125.025 120.400 0.398 0.000 2.787 367 D HA 0.513 5.153 4.640 0.001 0.000 0.246 367 D C -1.350 175.135 176.300 0.308 0.000 1.150 367 D CA -0.482 53.739 54.000 0.367 0.000 0.864 367 D CB 2.146 43.133 40.800 0.312 0.000 1.481 367 D HN 0.686 nan 8.370 nan 0.000 0.509 368 A N 2.299 125.262 122.820 0.238 0.000 2.274 368 A HA 0.591 4.911 4.320 0.001 0.000 0.309 368 A C 0.580 178.203 177.584 0.065 0.000 1.226 368 A CA -0.209 51.926 52.037 0.164 0.000 0.853 368 A CB 1.047 20.098 19.000 0.085 0.000 1.146 368 A HN 0.565 nan 8.150 nan 0.000 0.518 369 A N 2.319 125.174 122.820 0.059 0.000 2.310 369 A HA 0.543 4.863 4.320 0.001 0.000 0.230 369 A C 0.992 178.581 177.584 0.009 0.000 1.294 369 A CA 0.853 52.899 52.037 0.014 0.000 0.898 369 A CB -0.893 18.122 19.000 0.025 0.000 0.917 369 A HN 2.149 nan 8.150 nan 0.000 0.491 370 G N -2.100 106.707 108.800 0.011 0.000 2.323 370 G HA2 0.350 4.311 3.960 0.001 0.000 0.291 370 G HA3 0.350 4.311 3.960 0.001 0.000 0.291 370 G C 0.173 175.069 174.900 -0.006 0.000 1.278 370 G CA 0.539 45.641 45.100 0.002 0.000 0.860 370 G HN 0.617 nan 8.290 nan 0.000 0.504 371 T N -2.574 111.972 114.554 -0.013 0.000 3.016 371 T HA 0.539 4.889 4.350 0.001 0.000 0.271 371 T C 1.054 175.736 174.700 -0.030 0.000 0.968 371 T CA 1.217 63.301 62.100 -0.026 0.000 0.891 371 T CB 0.728 69.576 68.868 -0.033 0.000 1.149 371 T HN 1.465 nan 8.240 nan 0.000 0.524 372 G N 1.164 109.948 108.800 -0.026 0.000 2.552 372 G HA2 0.528 4.488 3.960 0.001 0.000 0.318 372 G HA3 0.528 4.488 3.960 0.001 0.000 0.318 372 G C -0.609 174.255 174.900 -0.060 0.000 1.240 372 G CA -0.880 44.191 45.100 -0.049 0.000 1.002 372 G HN 0.190 nan 8.290 nan 0.000 0.493 373 N N -0.298 118.321 118.700 -0.136 0.000 2.412 373 N HA 0.265 5.005 4.740 0.001 0.000 0.254 373 N C 1.299 176.803 175.510 -0.011 0.000 1.232 373 N CA 1.492 54.417 53.050 -0.207 0.000 0.880 373 N CB 1.119 39.298 38.487 -0.513 0.000 1.076 373 N HN 1.162 nan 8.380 nan 0.000 0.458 374 G N 0.830 109.702 108.800 0.121 0.000 2.195 374 G HA2 -0.288 3.672 3.960 0.001 0.000 0.246 374 G HA3 -0.288 3.672 3.960 0.001 0.000 0.246 374 G C 0.250 175.210 174.900 0.100 0.000 0.984 374 G CA 0.343 45.529 45.100 0.142 0.000 0.633 374 G HN 0.628 nan 8.290 nan 0.000 0.525 375 T N 1.723 116.325 114.554 0.080 0.000 2.908 375 T HA 0.325 4.675 4.350 0.001 0.000 0.301 375 T C 0.684 175.440 174.700 0.093 0.000 1.019 375 T CA 0.807 62.950 62.100 0.072 0.000 1.152 375 T CB 1.036 69.940 68.868 0.059 0.000 0.966 375 T HN 0.563 nan 8.240 nan 0.000 0.540 376 K N 3.221 123.671 120.400 0.082 0.000 2.368 376 K HA 0.245 4.566 4.320 0.001 0.000 0.282 376 K C -0.863 175.800 176.600 0.103 0.000 1.035 376 K CA -0.439 55.900 56.287 0.087 0.000 0.973 376 K CB 0.412 32.958 32.500 0.076 0.000 0.957 376 K HN 0.296 nan 8.250 nan 0.000 0.474 377 V N 5.915 125.889 119.914 0.100 0.000 2.398 377 V HA 0.219 4.339 4.120 0.001 0.000 0.286 377 V C 0.051 176.200 176.094 0.091 0.000 1.026 377 V CA -0.402 61.961 62.300 0.106 0.000 0.868 377 V CB 1.014 32.857 31.823 0.035 0.000 0.982 377 V HN 0.991 nan 8.190 nan 0.000 0.443 378 Q N 5.533 125.415 119.800 0.136 0.000 3.019 378 Q HA 0.703 5.044 4.340 0.001 0.000 0.337 378 Q C -1.061 175.076 176.000 0.228 0.000 0.900 378 Q CA -0.985 54.917 55.803 0.164 0.000 0.800 378 Q CB 2.603 31.442 28.738 0.168 0.000 1.437 378 Q HN 0.654 nan 8.270 nan 0.000 0.505 379 I N -1.797 118.931 120.570 0.264 0.000 2.525 379 I HA 0.772 4.942 4.170 0.001 0.000 0.301 379 I C -1.364 174.972 176.117 0.366 0.000 0.992 379 I CA -0.995 60.493 61.300 0.313 0.000 1.162 379 I CB 1.626 39.799 38.000 0.289 0.000 1.332 379 I HN 0.704 nan 8.210 nan 0.000 0.458 380 Y N 2.354 122.779 120.300 0.208 0.000 2.592 380 Y HA 0.402 4.952 4.550 0.001 0.000 0.334 380 Y C -0.447 175.580 175.900 0.212 0.000 1.136 380 Y CA -0.728 57.489 58.100 0.195 0.000 1.042 380 Y CB 2.144 40.735 38.460 0.217 0.000 1.325 380 Y HN 0.765 nan 8.280 nan 0.000 0.457 381 S N 2.324 117.892 115.700 -0.220 0.000 2.563 381 S HA 0.037 4.507 4.470 0.001 0.000 0.294 381 S C -0.418 174.336 174.600 0.256 0.000 1.279 381 S CA -0.099 58.074 58.200 -0.046 0.000 1.069 381 S CB -0.385 62.687 63.200 -0.214 0.000 0.828 381 S HN 0.620 nan 8.310 nan 0.000 0.497 382 c N 5.534 124.271 118.600 0.229 0.000 2.648 382 c HA 0.208 4.779 4.570 0.001 0.000 0.419 382 c C 1.475 175.761 174.090 0.327 0.000 1.352 382 c CA -0.466 56.013 56.329 0.250 0.000 1.816 382 c CB -1.026 41.574 42.510 0.150 0.000 2.598 382 c HN 1.086 nan 8.230 nan 0.000 0.598 383 W N 1.141 122.512 121.300 0.118 0.000 1.807 383 W HA 0.371 5.031 4.660 0.001 0.000 0.251 383 W C 0.686 177.247 176.519 0.071 0.000 0.848 383 W CA 0.195 57.595 57.345 0.092 0.000 1.157 383 W CB -0.764 28.765 29.460 0.117 0.000 0.992 383 W HN 0.923 nan 8.180 nan 0.000 0.506 384 G N 1.421 109.953 108.800 -0.446 0.000 2.159 384 G HA2 -0.149 3.812 3.960 0.001 0.000 0.227 384 G HA3 -0.149 3.812 3.960 0.001 0.000 0.227 384 G C 0.605 174.994 174.900 -0.851 0.000 0.986 384 G CA -0.147 44.665 45.100 -0.480 0.000 0.651 384 G HN 0.657 nan 8.290 nan 0.000 0.523 385 G N -0.315 107.444 108.800 -1.735 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 0.588 175.111 174.900 -0.629 0.000 1.247 385 G CA 0.427 44.673 45.100 -1.423 0.000 0.840 385 G HN 0.063 nan 8.290 nan 0.000 0.578 386 D N 0.075 120.242 120.400 -0.389 0.000 2.310 386 D HA -0.119 4.521 4.640 0.001 0.000 0.212 386 D C 2.052 178.134 176.300 -0.362 0.000 0.965 386 D CA 0.710 54.525 54.000 -0.308 0.000 0.879 386 D CB 0.163 40.840 40.800 -0.205 0.000 0.921 386 D HN 0.588 nan 8.370 nan 0.000 0.510 387 N N 0.197 118.714 118.700 -0.306 0.000 2.461 387 N HA -0.098 4.643 4.740 0.001 0.000 0.188 387 N C 0.739 176.045 175.510 -0.339 0.000 1.134 387 N CA 0.253 53.123 53.050 -0.299 0.000 0.878 387 N CB 0.064 38.485 38.487 -0.110 0.000 0.972 387 N HN 0.260 nan 8.380 nan 0.000 0.456 388 Q N -0.221 119.364 119.800 -0.357 0.000 2.159 388 Q HA 0.257 4.598 4.340 0.001 0.000 0.217 388 Q C -0.514 175.323 176.000 -0.272 0.000 0.818 388 Q CA -0.052 55.652 55.803 -0.165 0.000 1.008 388 Q CB 0.975 29.651 28.738 -0.103 0.000 1.148 388 Q HN 0.258 nan 8.270 nan 0.000 0.491 389 K N 0.350 120.382 120.400 -0.612 0.000 2.207 389 K HA 0.483 4.804 4.320 0.001 0.000 0.255 389 K C -1.419 174.720 176.600 -0.767 0.000 0.941 389 K CA -0.386 55.632 56.287 -0.447 0.000 0.825 389 K CB 1.352 33.685 32.500 -0.279 0.000 1.119 389 K HN -0.096 nan 8.250 nan 0.000 0.430 390 W N 1.078 122.416 121.300 0.063 0.000 3.033 390 W HA 0.467 5.127 4.660 0.001 0.000 0.336 390 W C -0.392 176.200 176.519 0.121 0.000 1.173 390 W CA -0.847 56.531 57.345 0.055 0.000 1.185 390 W CB 1.197 30.658 29.460 0.002 0.000 1.425 390 W HN 0.174 nan 8.180 nan 0.000 0.536 391 R N 2.223 122.872 120.500 0.250 0.000 2.343 391 R HA 0.518 4.858 4.340 0.001 0.000 0.320 391 R C -0.882 175.454 176.300 0.059 0.000 0.956 391 R CA -0.945 55.250 56.100 0.158 0.000 0.836 391 R CB 1.267 31.619 30.300 0.086 0.000 1.151 391 R HN 0.410 nan 8.270 nan 0.000 0.450 392 L N 4.095 125.287 121.223 -0.052 0.000 2.282 392 L HA 0.259 4.600 4.340 0.001 0.000 0.287 392 L C 0.022 176.862 176.870 -0.049 0.000 1.075 392 L CA -0.639 54.111 54.840 -0.151 0.000 0.839 392 L CB 0.148 41.980 42.059 -0.379 0.000 1.219 392 L HN 0.431 nan 8.230 nan 0.000 0.434 393 N N 0.804 119.499 118.700 -0.008 0.000 2.503 393 N HA 0.041 4.782 4.740 0.001 0.000 0.267 393 N C 1.213 176.723 175.510 0.000 0.000 1.214 393 N CA 0.003 53.059 53.050 0.009 0.000 0.959 393 N CB 1.582 40.086 38.487 0.028 0.000 1.142 393 N HN 0.544 nan 8.380 nan 0.000 0.455 394 S N -0.166 115.534 115.700 -0.000 0.000 2.419 394 S HA -0.181 4.290 4.470 0.001 0.000 0.233 394 S C 0.944 175.542 174.600 -0.003 0.000 1.016 394 S CA 1.080 59.277 58.200 -0.005 0.000 0.974 394 S CB -0.196 62.999 63.200 -0.008 0.000 0.786 394 S HN 0.712 nan 8.310 nan 0.000 0.492 395 D N 0.664 121.065 120.400 0.003 0.000 2.349 395 D HA 0.205 4.845 4.640 0.001 0.000 0.224 395 D C 1.427 177.728 176.300 0.002 0.000 1.029 395 D CA 0.697 54.697 54.000 -0.001 0.000 0.879 395 D CB -0.650 40.150 40.800 0.001 0.000 0.906 395 D HN 0.609 nan 8.370 nan 0.000 0.528 396 G N 0.114 108.924 108.800 0.016 0.000 2.195 396 G HA2 -0.277 3.684 3.960 0.001 0.000 0.246 396 G HA3 -0.277 3.684 3.960 0.001 0.000 0.246 396 G C 0.397 175.366 174.900 0.114 0.000 0.984 396 G CA 0.358 45.483 45.100 0.041 0.000 0.633 396 G HN 0.812 nan 8.290 nan 0.000 0.525 397 S N -0.183 115.574 115.700 0.096 0.000 2.603 397 S HA 0.741 5.211 4.470 0.001 0.000 0.268 397 S C 0.048 174.732 174.600 0.141 0.000 1.317 397 S CA -0.448 57.847 58.200 0.159 0.000 1.012 397 S CB 1.827 65.088 63.200 0.102 0.000 0.926 397 S HN 0.654 nan 8.310 nan 0.000 0.539 398 I N 2.016 122.681 120.570 0.157 0.000 2.439 398 I HA 0.313 4.483 4.170 0.001 0.000 0.283 398 I C -1.094 175.121 176.117 0.162 0.000 1.023 398 I CA -0.855 60.470 61.300 0.042 0.000 1.100 398 I CB 1.809 39.667 38.000 -0.236 0.000 1.238 398 I HN 0.410 nan 8.210 nan 0.000 0.445 399 V N 4.783 124.813 119.914 0.193 0.000 2.427 399 V HA 0.492 4.612 4.120 0.001 0.000 0.286 399 V C 0.852 177.081 176.094 0.226 0.000 1.034 399 V CA -0.648 61.772 62.300 0.200 0.000 0.893 399 V CB 1.595 33.472 31.823 0.090 0.000 0.982 399 V HN 0.840 nan 8.190 nan 0.000 0.452 400 G N 2.775 111.652 108.800 0.128 0.000 2.378 400 G HA2 0.363 4.323 3.960 0.001 0.000 0.255 400 G HA3 0.363 4.323 3.960 0.001 0.000 0.255 400 G C 0.914 175.642 174.900 -0.286 0.000 1.270 400 G CA -0.285 44.598 45.100 -0.361 0.000 0.876 400 G HN 0.552 nan 8.290 nan 0.000 0.521 401 V N 2.154 121.845 119.914 -0.372 0.000 2.255 401 V HA -0.267 3.854 4.120 0.001 0.000 0.247 401 V C 2.875 178.846 176.094 -0.205 0.000 1.051 401 V CA 2.429 64.584 62.300 -0.241 0.000 1.018 401 V CB -0.662 31.016 31.823 -0.242 0.000 0.641 401 V HN 0.872 nan 8.190 nan 0.000 0.445 402 Q N 0.186 119.837 119.800 -0.248 0.000 2.079 402 Q HA -0.197 4.144 4.340 0.001 0.000 0.200 402 Q C 2.353 178.277 176.000 -0.127 0.000 0.974 402 Q CA 2.248 57.949 55.803 -0.169 0.000 0.840 402 Q CB -0.085 28.548 28.738 -0.174 0.000 0.898 402 Q HN 0.779 nan 8.270 nan 0.000 0.430 403 S N -1.867 113.747 115.700 -0.144 0.000 2.458 403 S HA 0.157 4.628 4.470 0.001 0.000 0.223 403 S C 1.477 176.036 174.600 -0.067 0.000 1.019 403 S CA 0.678 58.824 58.200 -0.090 0.000 0.937 403 S CB 0.289 63.443 63.200 -0.076 0.000 0.788 403 S HN 0.663 nan 8.310 nan 0.000 0.511 404 G N 1.088 109.844 108.800 -0.073 0.000 2.155 404 G HA2 -0.215 3.745 3.960 0.001 0.000 0.257 404 G HA3 -0.215 3.745 3.960 0.001 0.000 0.257 404 G C -0.084 174.809 174.900 -0.011 0.000 0.983 404 G CA 0.607 45.680 45.100 -0.045 0.000 0.676 404 G HN 0.555 nan 8.290 nan 0.000 0.528 405 L N -0.575 120.651 121.223 0.006 0.000 2.352 405 L HA 0.599 4.939 4.340 0.001 0.000 0.269 405 L C 0.844 177.791 176.870 0.128 0.000 1.034 405 L CA -1.192 53.678 54.840 0.050 0.000 0.806 405 L CB 1.657 43.736 42.059 0.033 0.000 1.244 405 L HN 0.163 nan 8.230 nan 0.000 0.447 406 c N 1.729 120.422 118.600 0.155 0.000 2.405 406 c HA 0.370 4.941 4.570 0.001 0.000 0.365 406 c C 0.566 174.794 174.090 0.232 0.000 1.233 406 c CA -0.758 55.690 56.329 0.198 0.000 2.230 406 c CB 0.653 43.271 42.510 0.179 0.000 2.443 406 c HN 0.515 nan 8.230 nan 0.000 0.556 407 L N 3.601 124.952 121.223 0.214 0.000 2.455 407 L HA 0.187 4.528 4.340 0.001 0.000 0.272 407 L C 0.250 177.315 176.870 0.324 0.000 1.174 407 L CA 0.992 55.915 54.840 0.138 0.000 0.869 407 L CB 0.084 42.025 42.059 -0.196 0.000 1.130 407 L HN 0.692 nan 8.230 nan 0.000 0.474 408 D N 3.215 123.774 120.400 0.264 0.000 2.863 408 D HA 0.354 4.994 4.640 0.001 0.000 0.245 408 D C -0.900 175.507 176.300 0.180 0.000 1.211 408 D CA -0.499 53.634 54.000 0.222 0.000 0.888 408 D CB 2.233 43.143 40.800 0.183 0.000 1.483 408 D HN 0.506 nan 8.370 nan 0.000 0.533 409 A N 3.814 126.711 122.820 0.130 0.000 2.395 409 A HA 0.362 4.682 4.320 0.001 0.000 0.286 409 A C 0.537 178.130 177.584 0.016 0.000 1.193 409 A CA -0.444 51.645 52.037 0.088 0.000 0.852 409 A CB 0.126 19.138 19.000 0.020 0.000 1.118 409 A HN 0.453 nan 8.150 nan 0.000 0.524 410 V N 3.117 123.050 119.914 0.032 0.000 2.678 410 V HA 0.128 4.249 4.120 0.001 0.000 0.304 410 V C 1.781 177.853 176.094 -0.035 0.000 1.086 410 V CA 1.881 64.181 62.300 0.000 0.000 1.246 410 V CB -0.526 31.315 31.823 0.030 0.000 0.861 410 V HN 1.889 nan 8.190 nan 0.000 0.491 411 G N 3.853 112.604 108.800 -0.082 0.000 2.200 411 G HA2 -0.078 3.882 3.960 0.001 0.000 0.267 411 G HA3 -0.078 3.882 3.960 0.001 0.000 0.267 411 G C 1.178 176.027 174.900 -0.085 0.000 0.993 411 G CA 0.756 45.804 45.100 -0.086 0.000 0.701 411 G HN 2.511 nan 8.290 nan 0.000 0.524 412 G N -1.598 107.147 108.800 -0.092 0.000 2.143 412 G HA2 0.189 4.149 3.960 0.001 0.000 0.248 412 G HA3 0.189 4.149 3.960 0.001 0.000 0.248 412 G C 1.322 176.181 174.900 -0.068 0.000 0.991 412 G CA 0.874 45.919 45.100 -0.091 0.000 0.689 412 G HN 2.121 nan 8.290 nan 0.000 0.522 413 G N -0.751 108.022 108.800 -0.046 0.000 2.559 413 G HA2 0.513 4.474 3.960 0.001 0.000 0.235 413 G HA3 0.513 4.474 3.960 0.001 0.000 0.235 413 G C 1.058 175.937 174.900 -0.034 0.000 1.266 413 G CA 1.113 46.195 45.100 -0.029 0.000 0.847 413 G HN 1.356 nan 8.290 nan 0.000 0.583 414 T N -2.001 112.533 114.554 -0.033 0.000 2.986 414 T HA 0.560 4.910 4.350 0.001 0.000 0.264 414 T C 1.051 175.734 174.700 -0.028 0.000 0.964 414 T CA 0.651 62.727 62.100 -0.040 0.000 0.895 414 T CB 0.224 69.058 68.868 -0.056 0.000 1.163 414 T HN 0.911 nan 8.240 nan 0.000 0.517 415 A N 2.200 125.009 122.820 -0.019 0.000 2.313 415 A HA 0.548 4.869 4.320 0.001 0.000 0.261 415 A C 0.282 177.863 177.584 -0.004 0.000 1.090 415 A CA -0.644 51.380 52.037 -0.023 0.000 0.807 415 A CB -0.005 18.986 19.000 -0.015 0.000 1.055 415 A HN 0.400 nan 8.150 nan 0.000 0.492 416 N N -0.112 118.566 118.700 -0.037 0.000 2.412 416 N HA 0.295 5.035 4.740 0.001 0.000 0.254 416 N C 1.137 176.719 175.510 0.120 0.000 1.232 416 N CA 1.700 54.754 53.050 0.006 0.000 0.880 416 N CB 0.866 39.269 38.487 -0.141 0.000 1.076 416 N HN 1.274 nan 8.380 nan 0.000 0.458 417 G N 0.827 109.750 108.800 0.205 0.000 2.194 417 G HA2 -0.275 3.686 3.960 0.001 0.000 0.236 417 G HA3 -0.275 3.686 3.960 0.001 0.000 0.236 417 G C 0.171 175.137 174.900 0.111 0.000 0.987 417 G CA 0.196 45.390 45.100 0.157 0.000 0.635 417 G HN 0.606 nan 8.290 nan 0.000 0.520 418 T N 2.614 117.226 114.554 0.098 0.000 2.829 418 T HA 0.449 4.800 4.350 0.001 0.000 0.293 418 T C 1.042 175.798 174.700 0.093 0.000 0.970 418 T CA 0.182 62.328 62.100 0.076 0.000 1.168 418 T CB 0.696 69.599 68.868 0.058 0.000 0.911 418 T HN 0.368 nan 8.240 nan 0.000 0.535 419 L N 3.791 125.061 121.223 0.079 0.000 2.453 419 L HA 0.412 4.753 4.340 0.001 0.000 0.261 419 L C 0.312 177.234 176.870 0.086 0.000 1.179 419 L CA -0.929 53.960 54.840 0.082 0.000 0.813 419 L CB 0.375 42.478 42.059 0.073 0.000 1.110 419 L HN 0.384 nan 8.230 nan 0.000 0.466 420 I N 1.548 122.165 120.570 0.078 0.000 2.412 420 I HA 0.344 4.514 4.170 0.001 0.000 0.296 420 I C 0.001 176.162 176.117 0.074 0.000 0.987 420 I CA -0.256 61.088 61.300 0.073 0.000 1.180 420 I CB 1.421 39.420 38.000 -0.001 0.000 1.340 420 I HN 0.737 nan 8.210 nan 0.000 0.455 421 Q N 5.684 125.546 119.800 0.103 0.000 2.683 421 Q HA 0.734 5.075 4.340 0.001 0.000 0.302 421 Q C -1.752 174.347 176.000 0.164 0.000 1.042 421 Q CA -1.000 54.880 55.803 0.128 0.000 0.773 421 Q CB 2.464 31.289 28.738 0.145 0.000 1.508 421 Q HN 0.451 nan 8.270 nan 0.000 0.459 422 L N 1.041 122.370 121.223 0.178 0.000 2.325 422 L HA 0.637 4.977 4.340 0.001 0.000 0.279 422 L C -1.302 175.705 176.870 0.227 0.000 1.054 422 L CA -0.850 54.104 54.840 0.190 0.000 0.804 422 L CB 1.123 43.266 42.059 0.139 0.000 1.200 422 L HN 0.668 nan 8.230 nan 0.000 0.436 423 Y N 0.342 120.690 120.300 0.080 0.000 2.565 423 Y HA 0.143 4.694 4.550 0.001 0.000 0.330 423 Y C -0.090 175.841 175.900 0.051 0.000 1.150 423 Y CA -1.019 57.115 58.100 0.057 0.000 1.055 423 Y CB 1.796 40.287 38.460 0.052 0.000 1.337 423 Y HN 0.651 nan 8.280 nan 0.000 0.457 424 S N 2.070 117.686 115.700 -0.140 0.000 2.593 424 S HA 0.033 4.504 4.470 0.001 0.000 0.300 424 S C 0.049 174.749 174.600 0.166 0.000 1.267 424 S CA -0.489 57.711 58.200 0.000 0.000 1.065 424 S CB -0.538 62.618 63.200 -0.074 0.000 0.807 424 S HN 0.689 nan 8.310 nan 0.000 0.499 425 c N 4.123 122.786 118.600 0.105 0.000 2.634 425 c HA 0.369 4.939 4.570 0.001 0.000 0.418 425 c C 1.901 176.044 174.090 0.089 0.000 1.373 425 c CA 0.140 56.531 56.329 0.103 0.000 1.756 425 c CB -0.604 41.948 42.510 0.071 0.000 2.589 425 c HN 1.098 nan 8.230 nan 0.000 0.602 426 S N 0.778 116.524 115.700 0.077 0.000 2.787 426 S HA 0.101 4.572 4.470 0.001 0.000 0.255 426 S C 0.457 175.067 174.600 0.015 0.000 1.051 426 S CA -0.066 58.164 58.200 0.049 0.000 1.124 426 S CB -0.193 63.039 63.200 0.054 0.000 1.104 426 S HN 0.838 nan 8.310 nan 0.000 0.623 427 N N 1.215 119.921 118.700 0.010 0.000 2.800 427 N HA -0.109 4.631 4.740 0.001 0.000 0.250 427 N C 0.454 175.940 175.510 -0.041 0.000 1.078 427 N CA 0.944 53.987 53.050 -0.013 0.000 0.804 427 N CB -1.700 36.781 38.487 -0.011 0.000 1.135 427 N HN 0.732 nan 8.380 nan 0.000 0.565 428 G N 0.265 109.037 108.800 -0.048 0.000 2.569 428 G HA2 0.309 4.270 3.960 0.001 0.000 0.249 428 G HA3 0.309 4.270 3.960 0.001 0.000 0.249 428 G C 1.059 175.881 174.900 -0.131 0.000 1.216 428 G CA 0.362 45.413 45.100 -0.080 0.000 0.845 428 G HN 0.269 nan 8.290 nan 0.000 0.568 429 S N 0.358 115.970 115.700 -0.146 0.000 2.469 429 S HA -0.167 4.304 4.470 0.001 0.000 0.238 429 S C 1.687 176.105 174.600 -0.303 0.000 0.998 429 S CA 1.192 59.272 58.200 -0.201 0.000 0.957 429 S CB -0.237 62.866 63.200 -0.161 0.000 0.764 429 S HN 0.738 nan 8.310 nan 0.000 0.514 430 N N 0.921 119.465 118.700 -0.261 0.000 2.383 430 N HA 0.016 4.757 4.740 0.001 0.000 0.192 430 N C 0.864 176.165 175.510 -0.347 0.000 1.141 430 N CA 0.122 52.986 53.050 -0.310 0.000 0.851 430 N CB -0.245 38.133 38.487 -0.182 0.000 0.976 430 N HN 0.621 nan 8.380 nan 0.000 0.465 431 Q N -0.410 119.192 119.800 -0.330 0.000 2.140 431 Q HA 0.273 4.614 4.340 0.001 0.000 0.227 431 Q C -0.344 175.464 176.000 -0.320 0.000 0.798 431 Q CA -0.250 55.451 55.803 -0.171 0.000 0.987 431 Q CB 1.301 30.040 28.738 0.002 0.000 1.161 431 Q HN 0.226 nan 8.270 nan 0.000 0.480 432 R N 0.138 120.274 120.500 -0.607 0.000 2.460 432 R HA 0.439 4.780 4.340 0.001 0.000 0.303 432 R C -1.370 174.464 176.300 -0.776 0.000 0.968 432 R CA -0.169 55.655 56.100 -0.459 0.000 0.889 432 R CB 1.061 31.207 30.300 -0.257 0.000 1.123 432 R HN -0.056 nan 8.270 nan 0.000 0.455 433 W N 0.279 121.529 121.300 -0.083 0.000 2.950 433 W HA 0.389 5.049 4.660 0.001 0.000 0.340 433 W C -0.295 176.173 176.519 -0.085 0.000 1.139 433 W CA -0.683 56.604 57.345 -0.096 0.000 1.188 433 W CB 1.816 31.191 29.460 -0.141 0.000 1.426 433 W HN 0.469 nan 8.180 nan 0.000 0.531 434 T N -0.549 114.095 114.554 0.151 0.000 2.861 434 T HA 0.795 5.146 4.350 0.001 0.000 0.287 434 T C -0.717 174.023 174.700 0.067 0.000 1.003 434 T CA -1.281 60.861 62.100 0.070 0.000 0.977 434 T CB 1.572 70.459 68.868 0.031 0.000 0.996 434 T HN 0.543 nan 8.240 nan 0.000 0.448 435 R N 1.413 121.933 120.500 0.035 0.000 2.589 435 R HA 0.831 5.172 4.340 0.001 0.000 0.293 435 R C -0.867 175.449 176.300 0.027 0.000 0.963 435 R CA -0.792 55.324 56.100 0.027 0.000 0.905 435 R CB 1.607 31.907 30.300 -0.000 0.000 1.144 435 R HN 0.620 nan 8.270 nan 0.000 0.459 436 T N 0.000 114.575 114.554 0.034 0.000 3.816 436 T HA 0.000 4.350 4.350 0.001 0.000 0.228 436 T CA 0.000 62.118 62.100 0.029 0.000 1.349 436 T CB 0.000 68.885 68.868 0.029 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658