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 1gwf_1_A DATA FIRST_RESID 6 DATA SEQUENCE TTPHATGSTR QNGAPAVSDR QSLTVGSEGP IVLHDTHLLE THQHFNRXNI DATA SEQUENCE PERRPHAKGS GAFGEFEVTE DVSKYTKALV FQPGTKTETL LRFSTVAGEL DATA SEQUENCE GSPDTWRDVR GFALRFYTEE GNYDLVGNNT PIFFLRDPXK FTHFIRSQKR DATA SEQUENCE LPDSGLRDAT XQWDFWTNNP ESAHQVTYLX GPRGLPRTWR EMNGYGSHTY DATA SEQUENCE LWVNAQGEKH WVKYHFISQQ GVHNLSNDEA TKIAGENADF HRQDLFESIA DATA SEQUENCE KGDHPKWDLY IQAIPYEEGK TYRFNPFDLT KTISQKDYPR IKVGTLTLNR DATA SEQUENCE NPENHFAQIE SAAFSPSNTV PGIGLSPDRM LLGRAFAYHD AQLYRVGAHV DATA SEQUENCE NQLPVNRPKN AVHNYAFEGQ XWYDHTGDRS TYVPNSNGDS WSDETGPVDD DATA SEQUENCE GWEADGTLTR EAQALRADDD DFGQAGTLVR EVFSDQERDD FVETVAGALK DATA SEQUENCE GVRQDVQARA FEYWKNVDAT IGQRIEDEVK RHEGDGIPGV EAGGEARI 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.681 174.700 -0.031 0.000 1.109 6 T CA 0.000 62.087 62.100 -0.021 0.000 1.349 6 T CB 0.000 68.860 68.868 -0.014 0.000 0.612 7 T N 1.602 116.138 114.554 -0.031 0.000 2.828 7 T HA 0.568 4.921 4.350 0.004 0.000 0.290 7 T C -1.605 173.033 174.700 -0.104 0.000 1.019 7 T CA -0.746 61.325 62.100 -0.049 0.000 1.031 7 T CB 0.407 69.267 68.868 -0.013 0.000 1.001 7 T HN 0.296 nan 8.240 nan 0.000 0.531 8 P HA -0.053 nan 4.420 nan 0.000 0.219 8 P C 0.566 177.633 177.300 -0.388 0.000 1.146 8 P CA 1.313 64.194 63.100 -0.365 0.000 0.808 8 P CB -0.118 31.228 31.700 -0.589 0.000 0.779 9 H N -2.117 116.947 119.070 -0.010 0.000 2.672 9 H HA 0.488 5.046 4.556 0.004 0.000 0.277 9 H C 0.739 176.058 175.328 -0.016 0.000 1.074 9 H CA -0.461 55.580 56.048 -0.012 0.000 1.173 9 H CB 0.015 29.770 29.762 -0.011 0.000 1.558 9 H HN 0.054 nan 8.280 nan 0.000 0.539 10 A N 1.135 123.979 122.820 0.039 0.000 2.547 10 A HA 0.137 4.459 4.320 0.004 0.000 0.233 10 A C 1.388 178.980 177.584 0.014 0.000 1.067 10 A CA 0.918 52.965 52.037 0.018 0.000 0.763 10 A CB 0.102 19.100 19.000 -0.005 0.000 1.007 10 A HN 0.536 nan 8.150 nan 0.000 0.506 11 T N -2.670 111.884 114.554 0.000 0.000 3.087 11 T HA 0.500 4.852 4.350 0.004 0.000 0.283 11 T C 1.081 175.776 174.700 -0.008 0.000 0.956 11 T CA 0.892 62.990 62.100 -0.004 0.000 0.894 11 T CB 0.354 69.215 68.868 -0.013 0.000 1.160 11 T HN 2.455 nan 8.240 nan 0.000 0.532 12 G N 1.227 110.022 108.800 -0.009 0.000 2.255 12 G HA2 0.025 3.988 3.960 0.004 0.000 0.196 12 G HA3 0.025 3.988 3.960 0.004 0.000 0.196 12 G C 0.125 175.021 174.900 -0.006 0.000 0.998 12 G CA 0.219 45.316 45.100 -0.005 0.000 0.656 12 G HN 1.655 nan 8.290 nan 0.000 0.490 13 S N -1.019 114.670 115.700 -0.018 0.000 2.587 13 S HA 0.820 5.292 4.470 0.004 0.000 0.269 13 S C -0.641 173.925 174.600 -0.057 0.000 1.154 13 S CA 0.591 58.778 58.200 -0.021 0.000 0.824 13 S CB 1.972 65.172 63.200 -0.000 0.000 1.118 13 S HN 1.752 nan 8.310 nan 0.000 0.462 14 T N -0.794 113.730 114.554 -0.050 0.000 2.930 14 T HA 0.713 5.065 4.350 0.004 0.000 0.290 14 T C -0.006 174.643 174.700 -0.085 0.000 1.052 14 T CA -1.041 61.017 62.100 -0.070 0.000 1.017 14 T CB 1.258 70.109 68.868 -0.029 0.000 1.137 14 T HN 0.785 nan 8.240 nan 0.000 0.511 15 R N 0.356 120.797 120.500 -0.098 0.000 2.668 15 R HA 0.245 4.588 4.340 0.004 0.000 0.268 15 R C 1.722 178.040 176.300 0.029 0.000 1.232 15 R CA -0.548 55.551 56.100 -0.002 0.000 1.166 15 R CB 0.191 30.494 30.300 0.005 0.000 1.179 15 R HN 0.755 nan 8.270 nan 0.000 0.606 16 Q N 0.774 120.605 119.800 0.051 0.000 2.297 16 Q HA -0.118 4.224 4.340 0.004 0.000 0.204 16 Q C 1.297 177.310 176.000 0.021 0.000 0.962 16 Q CA 1.113 56.934 55.803 0.030 0.000 0.879 16 Q CB 0.011 28.769 28.738 0.034 0.000 0.947 16 Q HN 0.501 nan 8.270 nan 0.000 0.462 17 N N -0.696 118.017 118.700 0.022 0.000 2.461 17 N HA -0.025 4.717 4.740 0.004 0.000 0.188 17 N C 0.998 176.514 175.510 0.010 0.000 1.134 17 N CA 1.152 54.212 53.050 0.016 0.000 0.878 17 N CB 0.555 39.052 38.487 0.017 0.000 0.972 17 N HN 0.247 nan 8.380 nan 0.000 0.456 18 G N -1.050 107.753 108.800 0.005 0.000 2.175 18 G HA2 -0.181 3.782 3.960 0.004 0.000 0.244 18 G HA3 -0.181 3.782 3.960 0.004 0.000 0.244 18 G C 0.198 175.095 174.900 -0.004 0.000 0.982 18 G CA 0.165 45.266 45.100 0.001 0.000 0.641 18 G HN 0.804 nan 8.290 nan 0.000 0.527 19 A N 0.782 123.597 122.820 -0.008 0.000 2.371 19 A HA 0.704 5.027 4.320 0.004 0.000 0.257 19 A C -1.641 175.920 177.584 -0.038 0.000 1.089 19 A CA -0.940 51.090 52.037 -0.013 0.000 0.794 19 A CB 0.246 19.239 19.000 -0.012 0.000 1.029 19 A HN 0.139 nan 8.150 nan 0.000 0.488 20 P HA 0.031 nan 4.420 nan 0.000 0.261 20 P C 0.509 177.741 177.300 -0.114 0.000 1.173 20 P CA 1.017 64.087 63.100 -0.050 0.000 0.760 20 P CB 0.707 32.402 31.700 -0.009 0.000 0.783 21 A N 3.351 126.055 122.820 -0.193 0.000 2.123 21 A HA 0.060 4.383 4.320 0.004 0.000 0.214 21 A C 1.424 178.843 177.584 -0.274 0.000 1.152 21 A CA 1.259 53.045 52.037 -0.419 0.000 0.728 21 A CB -0.628 17.930 19.000 -0.736 0.000 0.814 21 A HN 0.431 nan 8.150 nan 0.000 0.464 22 V N -1.997 117.839 119.914 -0.131 0.000 0.473 22 V HA -0.246 3.876 4.120 0.004 0.000 0.092 22 V C 0.745 176.823 176.094 -0.025 0.000 2.433 22 V CA 1.879 64.145 62.300 -0.056 0.000 3.661 22 V CB -1.754 30.046 31.823 -0.038 0.000 0.941 22 V HN 1.034 nan 8.190 nan 0.000 0.987 23 S N -0.706 114.992 115.700 -0.004 0.000 2.614 23 S HA 0.499 4.972 4.470 0.004 0.000 0.275 23 S C -0.359 174.329 174.600 0.147 0.000 1.161 23 S CA -0.129 58.102 58.200 0.051 0.000 0.969 23 S CB 1.956 65.184 63.200 0.046 0.000 1.059 23 S HN 0.414 nan 8.310 nan 0.000 0.482 24 D N 3.223 123.696 120.400 0.122 0.000 2.328 24 D HA 0.213 4.856 4.640 0.004 0.000 0.221 24 D C 1.062 177.397 176.300 0.058 0.000 1.072 24 D CA 0.222 54.304 54.000 0.138 0.000 0.850 24 D CB 0.412 41.278 40.800 0.111 0.000 0.922 24 D HN 0.529 nan 8.370 nan 0.000 0.516 25 R N -0.532 119.997 120.500 0.047 0.000 2.568 25 R HA 0.161 4.504 4.340 0.004 0.000 0.254 25 R C 0.239 176.547 176.300 0.013 0.000 0.925 25 R CA -0.136 55.976 56.100 0.020 0.000 1.025 25 R CB 1.169 31.478 30.300 0.015 0.000 1.428 25 R HN -0.035 nan 8.270 nan 0.000 0.573 26 Q N 0.473 120.285 119.800 0.020 0.000 2.389 26 Q HA 0.433 4.776 4.340 0.004 0.000 0.277 26 Q C -0.896 175.110 176.000 0.009 0.000 1.082 26 Q CA -0.454 55.354 55.803 0.008 0.000 0.810 26 Q CB 2.598 31.338 28.738 0.004 0.000 1.374 26 Q HN -0.117 nan 8.270 nan 0.000 0.422 27 S N 0.845 116.541 115.700 -0.008 0.000 2.669 27 S HA 0.421 4.894 4.470 0.004 0.000 0.270 27 S C -0.208 174.373 174.600 -0.032 0.000 1.225 27 S CA -0.659 57.528 58.200 -0.021 0.000 0.991 27 S CB 0.553 63.729 63.200 -0.040 0.000 0.987 27 S HN 0.431 nan 8.310 nan 0.000 0.552 28 L N 3.336 124.525 121.223 -0.055 0.000 2.283 28 L HA 0.404 4.747 4.340 0.004 0.000 0.287 28 L C 0.260 177.080 176.870 -0.084 0.000 1.073 28 L CA 0.419 55.211 54.840 -0.081 0.000 0.822 28 L CB -0.241 41.731 42.059 -0.145 0.000 1.186 28 L HN 0.836 nan 8.230 nan 0.000 0.436 29 T N 1.251 115.773 114.554 -0.054 0.000 2.916 29 T HA 0.570 4.922 4.350 0.004 0.000 0.292 29 T C -0.372 174.313 174.700 -0.024 0.000 1.064 29 T CA -0.882 61.194 62.100 -0.040 0.000 1.011 29 T CB 1.454 70.305 68.868 -0.029 0.000 1.152 29 T HN 0.130 nan 8.240 nan 0.000 0.510 30 V N 2.595 122.500 119.914 -0.014 0.000 2.313 30 V HA 0.569 4.692 4.120 0.004 0.000 0.252 30 V C 1.312 177.404 176.094 -0.002 0.000 1.112 30 V CA 0.807 63.106 62.300 -0.001 0.000 0.984 30 V CB -0.831 30.996 31.823 0.006 0.000 1.157 30 V HN 1.502 nan 8.190 nan 0.000 0.493 31 G N 4.591 113.390 108.800 -0.002 0.000 2.846 31 G HA2 -0.205 3.758 3.960 0.004 0.000 0.660 31 G HA3 -0.205 3.758 3.960 0.004 0.000 0.660 31 G C 0.892 175.789 174.900 -0.006 0.000 1.464 31 G CA 0.049 45.148 45.100 -0.002 0.000 0.891 31 G HN 1.216 nan 8.290 nan 0.000 0.552 32 S N -0.777 114.920 115.700 -0.005 0.000 2.383 32 S HA -0.115 4.358 4.470 0.004 0.000 0.229 32 S C 1.491 176.086 174.600 -0.008 0.000 1.030 32 S CA 2.179 60.375 58.200 -0.006 0.000 1.002 32 S CB -0.056 63.141 63.200 -0.005 0.000 0.829 32 S HN 0.698 nan 8.310 nan 0.000 0.467 33 E N 1.329 121.525 120.200 -0.007 0.000 2.481 33 E HA 0.327 4.680 4.350 0.004 0.000 0.198 33 E C 1.012 177.607 176.600 -0.009 0.000 1.027 33 E CA 0.375 56.771 56.400 -0.007 0.000 0.900 33 E CB 0.097 29.794 29.700 -0.005 0.000 0.993 33 E HN 0.607 nan 8.360 nan 0.000 0.482 34 G N 2.615 111.409 108.800 -0.009 0.000 2.557 34 G HA2 0.393 4.355 3.960 0.004 0.000 0.292 34 G HA3 0.393 4.355 3.960 0.004 0.000 0.292 34 G C -2.312 172.579 174.900 -0.014 0.000 1.237 34 G CA -0.988 44.106 45.100 -0.009 0.000 0.978 34 G HN -0.081 nan 8.290 nan 0.000 0.498 35 P HA 0.263 nan 4.420 nan 0.000 0.274 35 P C -0.130 177.154 177.300 -0.028 0.000 1.246 35 P CA -0.303 62.785 63.100 -0.019 0.000 0.795 35 P CB 1.126 32.818 31.700 -0.013 0.000 1.006 36 I N 0.758 121.306 120.570 -0.038 0.000 2.575 36 I HA 0.072 4.245 4.170 0.004 0.000 0.285 36 I C 0.989 177.074 176.117 -0.052 0.000 1.085 36 I CA -0.730 60.537 61.300 -0.054 0.000 1.403 36 I CB 0.867 38.828 38.000 -0.065 0.000 1.409 36 I HN 0.141 nan 8.210 nan 0.000 0.557 37 V N 4.907 124.772 119.914 -0.083 0.000 2.834 37 V HA 0.118 4.240 4.120 0.004 0.000 0.301 37 V C 0.947 177.008 176.094 -0.055 0.000 1.066 37 V CA -0.654 61.606 62.300 -0.067 0.000 1.052 37 V CB 1.509 33.248 31.823 -0.140 0.000 1.021 37 V HN 0.748 nan 8.190 nan 0.000 0.480 38 L N 2.983 124.229 121.223 0.038 0.000 2.127 38 L HA -0.130 4.213 4.340 0.004 0.000 0.211 38 L C 2.248 179.163 176.870 0.075 0.000 1.089 38 L CA 2.260 57.130 54.840 0.051 0.000 0.757 38 L CB -1.075 41.028 42.059 0.074 0.000 0.899 38 L HN 1.040 nan 8.230 nan 0.000 0.434 39 H N -2.126 116.948 119.070 0.006 0.000 2.592 39 H HA 0.100 4.658 4.556 0.003 0.000 0.291 39 H C -0.125 175.215 175.328 0.021 0.000 1.052 39 H CA -0.150 55.906 56.048 0.013 0.000 1.175 39 H CB -1.015 28.754 29.762 0.011 0.000 1.378 39 H HN 0.271 nan 8.280 nan 0.000 0.576 40 D N 2.721 123.034 120.400 -0.145 0.000 2.498 40 D HA -0.033 4.610 4.640 0.004 0.000 0.229 40 D C 1.187 177.496 176.300 0.015 0.000 1.188 40 D CA 0.154 54.102 54.000 -0.086 0.000 1.028 40 D CB 0.480 41.227 40.800 -0.087 0.000 1.087 40 D HN 0.511 nan 8.370 nan 0.000 0.510 41 T N 0.095 114.685 114.554 0.060 0.000 2.951 41 T HA -0.190 4.163 4.350 0.004 0.000 0.268 41 T C 1.743 176.521 174.700 0.130 0.000 1.073 41 T CA 0.868 63.023 62.100 0.091 0.000 1.134 41 T CB -0.182 68.743 68.868 0.096 0.000 0.884 41 T HN 0.350 nan 8.240 nan 0.000 0.479 42 H N 0.918 120.000 119.070 0.020 0.000 2.403 42 H HA 0.251 4.810 4.556 0.005 0.000 0.298 42 H C 1.949 177.304 175.328 0.044 0.000 1.059 42 H CA 0.926 56.989 56.048 0.026 0.000 1.363 42 H CB -0.594 29.176 29.762 0.013 0.000 1.410 42 H HN 0.291 nan 8.280 nan 0.000 0.528 43 L N -0.066 121.155 121.223 -0.003 0.000 2.017 43 L HA -0.115 4.228 4.340 0.004 0.000 0.208 43 L C 2.138 179.037 176.870 0.048 0.000 1.073 43 L CA 1.470 56.303 54.840 -0.011 0.000 0.745 43 L CB -0.614 41.434 42.059 -0.019 0.000 0.894 43 L HN 0.324 nan 8.230 nan 0.000 0.432 44 L N -0.878 120.368 121.223 0.039 0.000 2.027 44 L HA -0.196 4.146 4.340 0.004 0.000 0.206 44 L C 2.535 179.454 176.870 0.082 0.000 1.074 44 L CA 1.520 56.395 54.840 0.060 0.000 0.745 44 L CB -0.614 41.475 42.059 0.050 0.000 0.898 44 L HN 0.319 nan 8.230 nan 0.000 0.433 45 E N -0.384 119.858 120.200 0.071 0.000 2.077 45 E HA -0.212 4.141 4.350 0.004 0.000 0.193 45 E C 2.126 178.769 176.600 0.072 0.000 0.989 45 E CA 1.925 58.376 56.400 0.085 0.000 0.800 45 E CB -0.149 29.615 29.700 0.107 0.000 0.746 45 E HN 0.621 nan 8.360 nan 0.000 0.452 46 T N -1.241 113.297 114.554 -0.027 0.000 2.857 46 T HA -0.121 4.232 4.350 0.004 0.000 0.266 46 T C 1.796 176.449 174.700 -0.077 0.000 1.048 46 T CA 0.882 62.930 62.100 -0.085 0.000 1.139 46 T CB -0.316 68.381 68.868 -0.284 0.000 0.874 46 T HN 0.199 nan 8.240 nan 0.000 0.455 47 H N 1.579 120.627 119.070 -0.037 0.000 2.357 47 H HA 0.052 4.609 4.556 0.002 0.000 0.301 47 H C 2.596 177.982 175.328 0.097 0.000 1.082 47 H CA 1.678 57.724 56.048 -0.003 0.000 1.342 47 H CB -0.056 29.673 29.762 -0.054 0.000 1.389 47 H HN 0.540 nan 8.280 nan 0.000 0.511 48 Q N -0.346 119.557 119.800 0.172 0.000 2.170 48 Q HA -0.177 4.165 4.340 0.004 0.000 0.203 48 Q C 2.126 178.176 176.000 0.084 0.000 0.976 48 Q CA 1.208 57.085 55.803 0.123 0.000 0.858 48 Q CB -0.088 28.711 28.738 0.101 0.000 0.907 48 Q HN 0.521 nan 8.270 nan 0.000 0.433 49 H N -0.126 118.986 119.070 0.070 0.000 2.357 49 H HA -0.127 4.434 4.556 0.007 0.000 0.301 49 H C 1.618 176.983 175.328 0.061 0.000 1.082 49 H CA 1.504 57.581 56.048 0.048 0.000 1.342 49 H CB -0.215 29.564 29.762 0.029 0.000 1.389 49 H HN 0.244 nan 8.280 nan 0.000 0.511 50 F N 1.054 120.931 119.950 -0.122 0.000 2.126 50 F HA -0.237 4.294 4.527 0.007 0.000 0.299 50 F C 1.809 177.512 175.800 -0.163 0.000 1.096 50 F CA 1.558 59.467 58.000 -0.150 0.000 1.255 50 F CB -0.319 38.578 39.000 -0.171 0.000 0.997 50 F HN 0.136 nan 8.300 nan 0.000 0.479 51 N N 0.538 119.293 118.700 0.093 0.000 2.519 51 N HA -0.056 4.687 4.740 0.004 0.000 0.186 51 N C 0.265 175.685 175.510 -0.150 0.000 1.062 51 N CA 0.670 53.712 53.050 -0.015 0.000 0.910 51 N CB -0.117 38.429 38.487 0.099 0.000 0.958 51 N HN 0.396 nan 8.380 nan 0.000 0.445 55 I N -2.091 118.515 120.570 0.061 0.000 2.957 55 I HA 0.805 4.978 4.170 0.004 0.000 0.310 55 I C -2.265 173.854 176.117 0.004 0.000 1.063 55 I CA -2.262 59.052 61.300 0.023 0.000 1.033 55 I CB 1.833 39.880 38.000 0.078 0.000 1.230 55 I HN 0.181 nan 8.210 nan 0.000 0.447 56 P HA 0.038 nan 4.420 nan 0.000 0.264 56 P C -0.865 176.451 177.300 0.026 0.000 1.183 56 P CA 0.012 63.111 63.100 -0.001 0.000 0.763 56 P CB 0.377 32.077 31.700 -0.000 0.000 0.807 57 E N 3.143 123.369 120.200 0.044 0.000 2.404 57 E HA 0.089 4.441 4.350 0.004 0.000 0.261 57 E C -0.462 176.170 176.600 0.053 0.000 1.074 57 E CA -0.667 55.761 56.400 0.047 0.000 0.917 57 E CB 0.581 30.311 29.700 0.049 0.000 0.965 57 E HN 0.276 nan 8.360 nan 0.000 0.433 58 R N 1.328 121.858 120.500 0.051 0.000 2.585 58 R HA 0.034 4.376 4.340 0.004 0.000 0.275 58 R C 0.242 176.582 176.300 0.067 0.000 1.018 58 R CA 0.365 56.499 56.100 0.058 0.000 1.072 58 R CB 0.359 30.705 30.300 0.076 0.000 0.953 58 R HN 0.487 nan 8.270 nan 0.000 0.419 59 R N 4.025 124.560 120.500 0.058 0.000 2.409 59 R HA 0.320 4.663 4.340 0.004 0.000 0.313 59 R C -2.241 174.115 176.300 0.093 0.000 0.953 59 R CA -1.677 54.457 56.100 0.057 0.000 0.849 59 R CB 1.069 31.385 30.300 0.027 0.000 1.171 59 R HN 0.475 nan 8.270 nan 0.000 0.458 60 P HA 0.269 nan 4.420 nan 0.000 0.323 60 P C -0.886 176.576 177.300 0.269 0.000 1.309 60 P CA -0.163 63.027 63.100 0.151 0.000 0.739 60 P CB 0.434 32.212 31.700 0.130 0.000 1.454 61 H N -2.806 116.323 119.070 0.098 0.000 2.941 61 H HA -0.141 4.416 4.556 0.003 0.000 0.279 61 H C 1.180 176.551 175.328 0.072 0.000 1.247 61 H CA 0.414 56.521 56.048 0.098 0.000 1.129 61 H CB -1.723 28.092 29.762 0.089 0.000 1.313 61 H HN 0.514 nan 8.280 nan 0.000 0.384 62 A N 0.582 123.481 122.820 0.132 0.000 1.917 62 A HA -0.148 4.174 4.320 0.004 0.000 0.219 62 A C 1.555 179.203 177.584 0.107 0.000 1.182 62 A CA 1.812 53.908 52.037 0.098 0.000 0.633 62 A CB -0.021 19.017 19.000 0.063 0.000 0.819 62 A HN 0.232 nan 8.150 nan 0.000 0.448 63 K N -0.136 120.333 120.400 0.114 0.000 2.253 63 K HA 0.530 4.853 4.320 0.004 0.000 0.277 63 K C -0.116 176.615 176.600 0.218 0.000 1.053 63 K CA 0.649 57.015 56.287 0.132 0.000 0.892 63 K CB 0.610 33.151 32.500 0.070 0.000 1.102 63 K HN 0.436 nan 8.250 nan 0.000 0.469 64 G N 0.483 109.434 108.800 0.251 0.000 2.495 64 G HA2 0.530 4.493 3.960 0.004 0.000 0.294 64 G HA3 0.530 4.493 3.960 0.004 0.000 0.294 64 G C -1.491 173.614 174.900 0.341 0.000 1.397 64 G CA -0.522 44.745 45.100 0.278 0.000 0.790 64 G HN 0.560 nan 8.290 nan 0.000 0.486 65 S N -2.550 113.297 115.700 0.246 0.000 2.661 65 S HA 0.927 5.400 4.470 0.004 0.000 0.268 65 S C -0.128 174.517 174.600 0.076 0.000 1.162 65 S CA 0.509 58.908 58.200 0.333 0.000 0.817 65 S CB 1.385 64.949 63.200 0.606 0.000 1.141 65 S HN 2.261 nan 8.310 nan 0.000 0.477 66 G N 0.020 108.897 108.800 0.128 0.000 2.570 66 G HA2 0.828 4.791 3.960 0.004 0.000 0.310 66 G HA3 0.828 4.791 3.960 0.004 0.000 0.310 66 G C -1.504 173.394 174.900 -0.003 0.000 1.266 66 G CA 0.207 45.276 45.100 -0.053 0.000 0.825 66 G HN 1.494 nan 8.290 nan 0.000 0.483 67 A N -1.401 121.307 122.820 -0.187 0.000 2.608 67 A HA 0.757 5.080 4.320 0.004 0.000 0.292 67 A C -1.671 175.729 177.584 -0.307 0.000 1.066 67 A CA -0.718 51.236 52.037 -0.138 0.000 0.676 67 A CB 0.653 19.683 19.000 0.049 0.000 1.277 67 A HN 0.875 nan 8.150 nan 0.000 0.413 68 F N 0.431 120.355 119.950 -0.043 0.000 2.378 68 F HA 0.726 5.255 4.527 0.003 0.000 0.325 68 F C 1.290 177.054 175.800 -0.060 0.000 1.097 68 F CA 1.176 59.145 58.000 -0.053 0.000 1.079 68 F CB 1.976 40.947 39.000 -0.049 0.000 1.240 68 F HN 0.990 nan 8.300 nan 0.000 0.519 69 G N 0.327 109.219 108.800 0.154 0.000 2.588 69 G HA2 0.474 4.437 3.960 0.004 0.000 0.281 69 G HA3 0.474 4.437 3.960 0.004 0.000 0.281 69 G C -1.998 172.961 174.900 0.099 0.000 1.223 69 G CA -0.628 44.519 45.100 0.079 0.000 0.871 69 G HN 0.580 nan 8.290 nan 0.000 0.492 70 E N -1.067 119.200 120.200 0.112 0.000 2.343 70 E HA 0.550 4.903 4.350 0.004 0.000 0.278 70 E C -2.088 174.653 176.600 0.235 0.000 0.910 70 E CA -0.744 55.749 56.400 0.155 0.000 0.757 70 E CB 2.491 32.252 29.700 0.102 0.000 1.218 70 E HN 0.300 nan 8.360 nan 0.000 0.435 71 F N 2.827 122.891 119.950 0.190 0.000 2.421 71 F HA 0.385 4.915 4.527 0.005 0.000 0.337 71 F C -0.583 175.373 175.800 0.259 0.000 1.105 71 F CA -0.516 57.663 58.000 0.298 0.000 1.049 71 F CB 1.407 40.734 39.000 0.545 0.000 1.139 71 F HN 0.452 nan 8.300 nan 0.000 0.479 72 E N 5.627 125.453 120.200 -0.623 0.000 2.185 72 E HA 0.416 4.768 4.350 0.004 0.000 0.261 72 E C -1.614 174.693 176.600 -0.487 0.000 0.879 72 E CA -0.747 55.450 56.400 -0.339 0.000 0.756 72 E CB 1.539 31.139 29.700 -0.167 0.000 1.152 72 E HN 0.493 nan 8.360 nan 0.000 0.416 73 V N 4.260 124.124 119.914 -0.084 0.000 2.521 73 V HA 0.081 4.203 4.120 0.004 0.000 0.286 73 V C 1.158 177.264 176.094 0.020 0.000 1.034 73 V CA 0.858 63.214 62.300 0.093 0.000 1.045 73 V CB 1.040 33.019 31.823 0.260 0.000 0.974 73 V HN 0.926 nan 8.190 nan 0.000 0.480 74 T N 0.126 114.688 114.554 0.012 0.000 3.111 74 T HA 0.360 4.712 4.350 0.004 0.000 0.284 74 T C 0.212 174.926 174.700 0.024 0.000 0.983 74 T CA -0.339 61.765 62.100 0.005 0.000 0.900 74 T CB 0.392 69.247 68.868 -0.021 0.000 1.132 74 T HN 0.556 nan 8.240 nan 0.000 0.531 75 E N 0.941 121.169 120.200 0.046 0.000 2.431 75 E HA 0.480 4.832 4.350 0.004 0.000 0.268 75 E C -1.583 175.061 176.600 0.073 0.000 0.953 75 E CA -0.636 55.796 56.400 0.052 0.000 0.810 75 E CB 1.491 31.218 29.700 0.046 0.000 1.369 75 E HN 0.086 nan 8.360 nan 0.000 0.440 76 D N 1.217 121.660 120.400 0.072 0.000 2.461 76 D HA 0.235 4.877 4.640 0.004 0.000 0.240 76 D C 0.004 176.365 176.300 0.101 0.000 1.094 76 D CA -0.442 53.601 54.000 0.071 0.000 0.868 76 D CB 0.846 41.670 40.800 0.039 0.000 1.062 76 D HN 0.203 nan 8.370 nan 0.000 0.530 77 V N 1.627 121.626 119.914 0.142 0.000 3.176 77 V HA 0.145 4.267 4.120 0.004 0.000 0.332 77 V C 1.689 177.884 176.094 0.168 0.000 1.414 77 V CA 0.416 62.869 62.300 0.255 0.000 1.133 77 V CB -0.262 31.791 31.823 0.383 0.000 1.088 77 V HN 0.411 nan 8.190 nan 0.000 0.473 78 S N 1.902 117.634 115.700 0.053 0.000 2.419 78 S HA -0.296 4.176 4.470 0.004 0.000 0.235 78 S C 1.856 176.429 174.600 -0.045 0.000 1.019 78 S CA 1.824 60.021 58.200 -0.004 0.000 0.982 78 S CB -0.608 62.582 63.200 -0.017 0.000 0.789 78 S HN 0.900 nan 8.310 nan 0.000 0.490 79 K N 0.256 120.581 120.400 -0.125 0.000 2.280 79 K HA -0.112 4.210 4.320 0.004 0.000 0.202 79 K C 1.328 177.756 176.600 -0.287 0.000 1.047 79 K CA 1.326 57.458 56.287 -0.258 0.000 0.942 79 K CB -0.414 31.843 32.500 -0.405 0.000 0.739 79 K HN 0.588 nan 8.250 nan 0.000 0.457 80 Y N 0.273 120.592 120.300 0.032 0.000 2.522 80 Y HA 0.166 4.718 4.550 0.004 0.000 0.277 80 Y C 0.908 176.908 175.900 0.168 0.000 1.104 80 Y CA 0.065 58.219 58.100 0.090 0.000 1.260 80 Y CB 1.122 39.664 38.460 0.136 0.000 1.151 80 Y HN -0.004 nan 8.280 nan 0.000 0.539 81 T N 0.130 114.770 114.554 0.143 0.000 2.933 81 T HA 0.222 4.574 4.350 0.004 0.000 0.305 81 T C 0.146 174.748 174.700 -0.163 0.000 1.092 81 T CA -0.862 61.153 62.100 -0.142 0.000 1.008 81 T CB 1.347 69.754 68.868 -0.768 0.000 1.102 81 T HN 0.296 nan 8.240 nan 0.000 0.469 82 K N 2.443 122.743 120.400 -0.166 0.000 2.444 82 K HA 0.481 4.804 4.320 0.004 0.000 0.193 82 K C 0.800 177.283 176.600 -0.194 0.000 1.024 82 K CA -0.141 56.059 56.287 -0.146 0.000 1.077 82 K CB 0.166 32.601 32.500 -0.108 0.000 0.833 82 K HN 0.496 nan 8.250 nan 0.000 0.517 83 A N 1.939 124.579 122.820 -0.300 0.000 2.548 83 A HA 0.088 4.410 4.320 0.004 0.000 0.247 83 A C 1.144 178.552 177.584 -0.293 0.000 1.067 83 A CA -0.273 51.552 52.037 -0.354 0.000 0.757 83 A CB -0.059 18.608 19.000 -0.555 0.000 0.996 83 A HN 0.405 nan 8.150 nan 0.000 0.504 84 L N 3.462 124.537 121.223 -0.247 0.000 2.042 84 L HA -0.160 4.182 4.340 0.004 0.000 0.210 84 L C 2.511 179.260 176.870 -0.202 0.000 1.076 84 L CA 1.514 56.248 54.840 -0.176 0.000 0.749 84 L CB -0.661 41.319 42.059 -0.131 0.000 0.893 84 L HN 0.691 nan 8.230 nan 0.000 0.432 85 V N -0.505 119.193 119.914 -0.360 0.000 2.568 85 V HA -0.257 3.866 4.120 0.004 0.000 0.253 85 V C 1.507 177.349 176.094 -0.419 0.000 1.072 85 V CA 1.731 63.755 62.300 -0.461 0.000 1.084 85 V CB -0.323 30.988 31.823 -0.853 0.000 0.676 85 V HN 0.315 nan 8.190 nan 0.000 0.469 86 F N -0.132 119.713 119.950 -0.175 0.000 2.647 86 F HA 0.454 4.984 4.527 0.004 0.000 0.300 86 F C 0.914 176.677 175.800 -0.061 0.000 1.106 86 F CA -1.120 56.817 58.000 -0.105 0.000 1.313 86 F CB -0.250 38.590 39.000 -0.266 0.000 1.007 86 F HN 0.166 nan 8.300 nan 0.000 0.536 87 Q N 1.256 121.093 119.800 0.062 0.000 2.299 87 Q HA 0.257 4.599 4.340 0.004 0.000 0.246 87 Q C -2.253 173.791 176.000 0.074 0.000 0.935 87 Q CA -2.417 53.410 55.803 0.039 0.000 0.887 87 Q CB 0.277 29.009 28.738 -0.010 0.000 1.223 87 Q HN -0.012 nan 8.270 nan 0.000 0.439 88 P HA -0.085 nan 4.420 nan 0.000 0.263 88 P C 0.666 177.997 177.300 0.053 0.000 1.168 88 P CA 1.480 64.616 63.100 0.060 0.000 0.759 88 P CB 0.259 31.981 31.700 0.037 0.000 0.782 89 G N 1.872 110.706 108.800 0.057 0.000 2.212 89 G HA2 -0.261 3.702 3.960 0.004 0.000 0.266 89 G HA3 -0.261 3.702 3.960 0.004 0.000 0.266 89 G C 0.328 175.261 174.900 0.055 0.000 0.978 89 G CA 0.419 45.545 45.100 0.044 0.000 0.632 89 G HN 0.608 nan 8.290 nan 0.000 0.537 90 T N 1.811 116.414 114.554 0.082 0.000 2.888 90 T HA 0.444 4.797 4.350 0.004 0.000 0.301 90 T C 0.366 175.140 174.700 0.122 0.000 1.001 90 T CA 0.403 62.557 62.100 0.090 0.000 1.147 90 T CB 1.152 70.074 68.868 0.091 0.000 0.931 90 T HN 0.366 nan 8.240 nan 0.000 0.541 91 K N 2.631 123.092 120.400 0.102 0.000 2.235 91 K HA 0.513 4.835 4.320 0.004 0.000 0.266 91 K C -0.463 176.228 176.600 0.153 0.000 0.980 91 K CA -0.631 55.728 56.287 0.121 0.000 0.849 91 K CB 1.537 34.081 32.500 0.073 0.000 1.098 91 K HN 0.489 nan 8.250 nan 0.000 0.445 92 T N 1.580 116.276 114.554 0.238 0.000 2.881 92 T HA 0.115 4.468 4.350 0.004 0.000 0.290 92 T C -0.757 174.100 174.700 0.263 0.000 1.000 92 T CA -0.753 61.501 62.100 0.257 0.000 0.978 92 T CB 1.593 70.666 68.868 0.341 0.000 0.997 92 T HN 0.530 nan 8.240 nan 0.000 0.443 93 E N 2.329 122.657 120.200 0.213 0.000 2.414 93 E HA 0.254 4.607 4.350 0.004 0.000 0.263 93 E C -0.049 176.741 176.600 0.316 0.000 1.000 93 E CA -0.017 56.510 56.400 0.211 0.000 0.914 93 E CB 0.530 30.300 29.700 0.116 0.000 0.948 93 E HN 0.747 nan 8.360 nan 0.000 0.444 94 T N 1.592 116.287 114.554 0.234 0.000 2.907 94 T HA 0.625 4.978 4.350 0.004 0.000 0.290 94 T C -0.851 173.939 174.700 0.150 0.000 1.066 94 T CA -1.062 61.090 62.100 0.087 0.000 1.012 94 T CB 1.469 70.220 68.868 -0.195 0.000 1.184 94 T HN 0.336 nan 8.240 nan 0.000 0.522 95 L N 0.691 121.864 121.223 -0.085 0.000 2.455 95 L HA 0.794 5.137 4.340 0.004 0.000 0.264 95 L C -1.952 174.672 176.870 -0.410 0.000 0.968 95 L CA -0.927 53.748 54.840 -0.274 0.000 0.827 95 L CB 1.908 43.823 42.059 -0.240 0.000 1.317 95 L HN 0.907 nan 8.230 nan 0.000 0.407 96 L N 4.948 125.821 121.223 -0.584 0.000 2.376 96 L HA 0.636 4.978 4.340 0.004 0.000 0.275 96 L C -0.965 175.340 176.870 -0.943 0.000 0.987 96 L CA -0.634 53.658 54.840 -0.914 0.000 0.828 96 L CB 1.491 42.836 42.059 -1.190 0.000 1.249 96 L HN 0.845 nan 8.230 nan 0.000 0.409 97 R N 4.034 123.933 120.500 -1.001 0.000 2.387 97 R HA 0.559 4.901 4.340 0.004 0.000 0.314 97 R C -1.580 174.094 176.300 -1.044 0.000 0.958 97 R CA -0.369 55.241 56.100 -0.817 0.000 0.846 97 R CB 1.121 31.155 30.300 -0.444 0.000 1.147 97 R HN 0.400 nan 8.270 nan 0.000 0.447 98 F N 1.665 121.126 119.950 -0.816 0.000 2.440 98 F HA 0.535 5.064 4.527 0.004 0.000 0.328 98 F C 0.359 175.725 175.800 -0.723 0.000 1.070 98 F CA -0.295 57.092 58.000 -1.023 0.000 1.011 98 F CB 2.189 39.926 39.000 -2.105 0.000 1.226 98 F HN 0.616 nan 8.300 nan 0.000 0.491 99 S N -1.162 114.466 115.700 -0.121 0.000 2.587 99 S HA 0.590 5.063 4.470 0.004 0.000 0.269 99 S C -0.699 174.098 174.600 0.328 0.000 1.154 99 S CA -0.972 57.338 58.200 0.184 0.000 0.824 99 S CB 1.179 64.525 63.200 0.245 0.000 1.118 99 S HN 0.714 nan 8.310 nan 0.000 0.462 100 T N -0.858 113.882 114.554 0.311 0.000 2.865 100 T HA 0.674 5.026 4.350 0.004 0.000 0.302 100 T C 0.939 175.643 174.700 0.007 0.000 1.078 100 T CA -0.134 62.107 62.100 0.235 0.000 0.942 100 T CB 0.221 69.231 68.868 0.236 0.000 1.387 100 T HN 0.632 nan 8.240 nan 0.000 0.557 101 V N -0.271 119.607 119.914 -0.059 0.000 2.840 101 V HA 0.313 4.435 4.120 0.004 0.000 0.234 101 V C 2.747 178.785 176.094 -0.093 0.000 1.159 101 V CA 0.835 62.964 62.300 -0.286 0.000 1.194 101 V CB -0.888 30.856 31.823 -0.132 0.000 0.971 101 V HN 1.006 nan 8.190 nan 0.000 0.494 102 A N 0.453 123.280 122.820 0.012 0.000 1.903 102 A HA 0.347 4.669 4.320 0.004 0.000 0.213 102 A C 1.583 179.216 177.584 0.083 0.000 1.185 102 A CA 1.078 53.119 52.037 0.007 0.000 0.628 102 A CB -0.891 18.115 19.000 0.009 0.000 0.830 102 A HN 0.547 nan 8.150 nan 0.000 0.446 103 G N -0.032 108.869 108.800 0.168 0.000 2.569 103 G HA2 0.448 4.410 3.960 0.004 0.000 0.249 103 G HA3 0.448 4.410 3.960 0.004 0.000 0.249 103 G C -0.311 174.606 174.900 0.028 0.000 1.216 103 G CA -0.286 44.898 45.100 0.141 0.000 0.845 103 G HN 0.420 nan 8.290 nan 0.000 0.568 104 E N -0.727 119.476 120.200 0.005 0.000 2.602 104 E HA 0.373 4.726 4.350 0.004 0.000 0.255 104 E C 0.199 176.786 176.600 -0.022 0.000 1.268 104 E CA -0.850 55.553 56.400 0.004 0.000 1.007 104 E CB 0.499 30.210 29.700 0.017 0.000 1.208 104 E HN 0.296 nan 8.360 nan 0.000 0.584 105 L N 1.223 122.449 121.223 0.005 0.000 2.578 105 L HA 0.110 4.452 4.340 0.004 0.000 0.279 105 L C 1.368 178.221 176.870 -0.028 0.000 1.227 105 L CA 2.145 56.990 54.840 0.009 0.000 0.900 105 L CB -0.432 41.645 42.059 0.030 0.000 1.144 105 L HN 0.720 nan 8.230 nan 0.000 0.496 106 G N 2.067 110.843 108.800 -0.040 0.000 2.257 106 G HA2 -0.327 3.635 3.960 0.004 0.000 0.267 106 G HA3 -0.327 3.635 3.960 0.004 0.000 0.267 106 G C 0.451 175.260 174.900 -0.152 0.000 0.984 106 G CA 0.586 45.643 45.100 -0.072 0.000 0.626 106 G HN 1.144 nan 8.290 nan 0.000 0.540 107 S N 0.985 116.545 115.700 -0.234 0.000 2.563 107 S HA 0.465 4.937 4.470 0.004 0.000 0.284 107 S C -1.991 172.262 174.600 -0.580 0.000 1.331 107 S CA -0.587 57.293 58.200 -0.533 0.000 1.047 107 S CB 1.224 63.968 63.200 -0.761 0.000 0.859 107 S HN 0.235 nan 8.310 nan 0.000 0.514 108 P HA 0.133 nan 4.420 nan 0.000 0.265 108 P C 0.142 177.152 177.300 -0.484 0.000 1.193 108 P CA -0.053 62.719 63.100 -0.546 0.000 0.765 108 P CB 0.339 31.769 31.700 -0.450 0.000 0.823 109 D N 0.955 121.212 120.400 -0.239 0.000 2.218 109 D HA -0.098 4.545 4.640 0.004 0.000 0.204 109 D C 1.296 177.538 176.300 -0.097 0.000 0.976 109 D CA 1.649 55.577 54.000 -0.121 0.000 0.853 109 D CB -0.391 40.275 40.800 -0.223 0.000 0.939 109 D HN 0.418 nan 8.370 nan 0.000 0.481 110 T N -2.407 112.061 114.554 -0.143 0.000 3.273 110 T HA 0.054 4.406 4.350 0.004 0.000 0.254 110 T C 0.318 175.164 174.700 0.243 0.000 1.002 110 T CA -0.743 61.353 62.100 -0.006 0.000 0.913 110 T CB -0.406 68.390 68.868 -0.119 0.000 1.056 110 T HN -0.096 nan 8.240 nan 0.000 0.576 111 W N 2.720 124.051 121.300 0.052 0.000 2.137 111 W HA 0.379 5.041 4.660 0.004 0.000 0.344 111 W C 1.004 177.590 176.519 0.112 0.000 1.286 111 W CA -2.018 55.368 57.345 0.068 0.000 1.240 111 W CB 0.281 29.780 29.460 0.065 0.000 1.141 111 W HN 0.203 nan 8.180 nan 0.000 0.579 112 R N 2.754 123.426 120.500 0.287 0.000 2.401 112 R HA 0.177 4.519 4.340 0.004 0.000 0.299 112 R C -0.690 175.770 176.300 0.267 0.000 1.064 112 R CA 0.548 56.786 56.100 0.230 0.000 1.000 112 R CB 0.197 30.586 30.300 0.148 0.000 0.973 112 R HN 0.430 nan 8.270 nan 0.000 0.438 113 D N 1.921 122.499 120.400 0.297 0.000 2.798 113 D HA 0.071 4.714 4.640 0.004 0.000 0.265 113 D C -1.178 175.335 176.300 0.356 0.000 1.223 113 D CA -0.463 53.731 54.000 0.325 0.000 0.743 113 D CB 1.484 42.475 40.800 0.318 0.000 1.276 113 D HN 0.201 nan 8.370 nan 0.000 0.421 114 V N 1.759 121.910 119.914 0.395 0.000 2.843 114 V HA 0.297 4.420 4.120 0.004 0.000 0.305 114 V C 0.575 176.893 176.094 0.374 0.000 1.065 114 V CA 0.332 62.877 62.300 0.408 0.000 1.116 114 V CB 0.753 32.864 31.823 0.480 0.000 0.968 114 V HN 0.381 nan 8.190 nan 0.000 0.487 115 R N 2.081 122.817 120.500 0.394 0.000 2.460 115 R HA 0.613 4.956 4.340 0.004 0.000 0.303 115 R C 0.289 176.830 176.300 0.400 0.000 0.968 115 R CA -0.074 56.262 56.100 0.393 0.000 0.889 115 R CB 1.567 32.113 30.300 0.409 0.000 1.123 115 R HN 0.924 nan 8.270 nan 0.000 0.455 116 G N 0.846 109.887 108.800 0.402 0.000 2.507 116 G HA2 0.402 4.365 3.960 0.004 0.000 0.271 116 G HA3 0.402 4.365 3.960 0.004 0.000 0.271 116 G C -1.179 173.774 174.900 0.088 0.000 1.189 116 G CA -0.101 45.157 45.100 0.263 0.000 0.859 116 G HN 0.489 nan 8.290 nan 0.000 0.542 117 F N 1.701 121.497 119.950 -0.257 0.000 2.872 117 F HA 0.548 5.078 4.527 0.004 0.000 0.363 117 F C 0.225 175.624 175.800 -0.668 0.000 1.357 117 F CA -1.023 56.692 58.000 -0.475 0.000 1.174 117 F CB 0.678 39.503 39.000 -0.292 0.000 1.860 117 F HN 0.631 nan 8.300 nan 0.000 0.615 118 A N 4.251 126.537 122.820 -0.890 0.000 2.279 118 A HA 0.628 4.950 4.320 0.004 0.000 0.306 118 A C -1.474 175.342 177.584 -1.282 0.000 1.300 118 A CA -0.388 50.972 52.037 -1.128 0.000 0.925 118 A CB 0.363 18.393 19.000 -1.615 0.000 1.152 118 A HN 0.578 nan 8.150 nan 0.000 0.544 119 L N 3.231 123.925 121.223 -0.883 0.000 2.319 119 L HA 0.574 4.916 4.340 0.004 0.000 0.281 119 L C 0.103 176.678 176.870 -0.492 0.000 1.005 119 L CA -0.333 54.045 54.840 -0.769 0.000 0.828 119 L CB 1.347 42.902 42.059 -0.839 0.000 1.227 119 L HN 0.752 nan 8.230 nan 0.000 0.415 120 R N 4.116 124.421 120.500 -0.326 0.000 2.474 120 R HA 0.579 4.922 4.340 0.004 0.000 0.295 120 R C -1.623 174.394 176.300 -0.471 0.000 0.980 120 R CA -0.415 55.483 56.100 -0.336 0.000 0.934 120 R CB 0.831 30.893 30.300 -0.398 0.000 1.101 120 R HN 0.514 nan 8.270 nan 0.000 0.469 121 F N 3.870 123.640 119.950 -0.299 0.000 2.426 121 F HA 0.317 4.846 4.527 0.004 0.000 0.348 121 F C -0.700 174.996 175.800 -0.172 0.000 1.124 121 F CA -0.674 57.244 58.000 -0.137 0.000 1.008 121 F CB 1.278 40.247 39.000 -0.052 0.000 1.139 121 F HN 0.467 nan 8.300 nan 0.000 0.452 122 Y N 1.884 122.270 120.300 0.144 0.000 2.636 122 Y HA 0.200 4.752 4.550 0.003 0.000 0.334 122 Y C 1.127 177.067 175.900 0.067 0.000 1.286 122 Y CA -0.709 57.436 58.100 0.076 0.000 1.688 122 Y CB -0.265 38.221 38.460 0.043 0.000 1.662 122 Y HN 0.564 nan 8.280 nan 0.000 0.465 123 T N -2.489 112.147 114.554 0.136 0.000 2.847 123 T HA 0.132 4.484 4.350 0.004 0.000 0.279 123 T C 1.128 175.851 174.700 0.038 0.000 0.984 123 T CA -0.774 61.360 62.100 0.057 0.000 0.988 123 T CB 1.121 69.965 68.868 -0.042 0.000 1.040 123 T HN 0.426 nan 8.240 nan 0.000 0.528 124 E N 0.130 120.331 120.200 0.002 0.000 2.418 124 E HA -0.006 4.346 4.350 0.004 0.000 0.197 124 E C 0.979 177.568 176.600 -0.019 0.000 1.026 124 E CA 0.710 57.107 56.400 -0.005 0.000 0.862 124 E CB 0.124 29.814 29.700 -0.016 0.000 0.799 124 E HN 0.834 nan 8.360 nan 0.000 0.518 125 E N -0.263 119.916 120.200 -0.035 0.000 2.685 125 E HA 0.309 4.661 4.350 0.004 0.000 0.208 125 E C -0.106 176.479 176.600 -0.025 0.000 0.996 125 E CA -0.045 56.331 56.400 -0.040 0.000 1.054 125 E CB 0.497 30.154 29.700 -0.072 0.000 1.075 125 E HN 0.203 nan 8.360 nan 0.000 0.460 126 G N 0.751 109.550 108.800 -0.002 0.000 2.408 126 G HA2 -0.185 3.778 3.960 0.004 0.000 0.682 126 G HA3 -0.185 3.778 3.960 0.004 0.000 0.682 126 G C -1.113 173.799 174.900 0.020 0.000 1.303 126 G CA -1.118 43.989 45.100 0.013 0.000 0.966 126 G HN 0.100 nan 8.290 nan 0.000 0.560 127 N N 0.020 118.721 118.700 0.001 0.000 2.442 127 N HA 0.418 5.161 4.740 0.004 0.000 0.265 127 N C -0.736 174.774 175.510 -0.000 0.000 1.138 127 N CA 0.039 53.055 53.050 -0.057 0.000 0.956 127 N CB 0.872 39.267 38.487 -0.153 0.000 1.067 127 N HN 0.573 nan 8.380 nan 0.000 0.474 128 Y N 2.323 122.563 120.300 -0.101 0.000 2.369 128 Y HA 0.287 4.840 4.550 0.005 0.000 0.337 128 Y C -1.014 174.889 175.900 0.005 0.000 0.961 128 Y CA -1.356 56.696 58.100 -0.081 0.000 1.186 128 Y CB 0.448 38.798 38.460 -0.183 0.000 1.139 128 Y HN 0.366 nan 8.280 nan 0.000 0.494 129 D N 6.901 126.963 120.400 -0.563 0.000 2.280 129 D HA 0.234 4.877 4.640 0.004 0.000 0.236 129 D C -0.826 175.030 176.300 -0.739 0.000 1.082 129 D CA -0.072 53.631 54.000 -0.495 0.000 0.834 129 D CB 1.933 42.608 40.800 -0.209 0.000 1.100 129 D HN 0.666 nan 8.370 nan 0.000 0.486 130 L N 3.022 123.849 121.223 -0.660 0.000 2.297 130 L HA 0.309 4.652 4.340 0.004 0.000 0.277 130 L C -1.075 175.577 176.870 -0.364 0.000 1.040 130 L CA -0.677 53.843 54.840 -0.533 0.000 0.867 130 L CB 0.631 42.430 42.059 -0.434 0.000 1.244 130 L HN 0.058 nan 8.230 nan 0.000 0.433 131 V N 5.550 125.295 119.914 -0.281 0.000 2.270 131 V HA 0.486 4.609 4.120 0.004 0.000 0.263 131 V C 0.887 176.888 176.094 -0.155 0.000 1.066 131 V CA -0.207 61.914 62.300 -0.298 0.000 0.857 131 V CB 0.328 31.947 31.823 -0.340 0.000 1.099 131 V HN 0.830 nan 8.190 nan 0.000 0.476 132 G N 3.424 112.146 108.800 -0.129 0.000 2.971 132 G HA2 0.652 4.614 3.960 0.004 0.000 0.235 132 G HA3 0.652 4.614 3.960 0.004 0.000 0.235 132 G C -0.804 174.117 174.900 0.036 0.000 1.351 132 G CA -0.562 44.531 45.100 -0.010 0.000 1.039 132 G HN 0.497 nan 8.290 nan 0.000 0.563 133 N N -1.135 117.627 118.700 0.104 0.000 2.902 133 N HA 0.197 4.939 4.740 0.004 0.000 0.268 133 N C -0.096 175.552 175.510 0.230 0.000 1.450 133 N CA -0.668 52.503 53.050 0.201 0.000 0.819 133 N CB 1.454 40.078 38.487 0.228 0.000 1.540 133 N HN 0.501 nan 8.380 nan 0.000 0.545 134 N N -0.934 117.956 118.700 0.317 0.000 2.362 134 N HA 0.007 4.750 4.740 0.004 0.000 0.211 134 N C -0.506 175.292 175.510 0.481 0.000 1.170 134 N CA 0.076 53.367 53.050 0.403 0.000 0.828 134 N CB 0.035 38.774 38.487 0.420 0.000 1.034 134 N HN 0.402 nan 8.380 nan 0.000 0.475 135 T N -0.188 114.497 114.554 0.219 0.000 2.912 135 T HA 0.381 4.733 4.350 0.004 0.000 0.299 135 T C -2.509 171.864 174.700 -0.545 0.000 1.052 135 T CA -1.703 60.153 62.100 -0.406 0.000 0.996 135 T CB 2.222 70.736 68.868 -0.591 0.000 1.070 135 T HN -0.167 nan 8.240 nan 0.000 0.465 136 P HA 0.200 nan 4.420 nan 0.000 0.241 136 P C 0.398 177.427 177.300 -0.453 0.000 1.191 136 P CA 0.278 62.980 63.100 -0.663 0.000 0.771 136 P CB -0.221 31.054 31.700 -0.710 0.000 0.929 137 I N -6.376 113.886 120.570 -0.514 0.000 3.457 137 I HA 0.690 4.862 4.170 0.004 0.000 0.307 137 I C -0.878 175.098 176.117 -0.236 0.000 1.138 137 I CA -1.547 59.512 61.300 -0.402 0.000 0.974 137 I CB 1.532 39.188 38.000 -0.574 0.000 1.324 137 I HN -0.331 nan 8.210 nan 0.000 0.485 138 F N -0.365 119.366 119.950 -0.364 0.000 2.706 138 F HA 0.547 5.077 4.527 0.004 0.000 0.328 138 F C -0.043 175.577 175.800 -0.300 0.000 1.123 138 F CA -1.058 56.762 58.000 -0.300 0.000 0.978 138 F CB 1.717 40.675 39.000 -0.069 0.000 1.404 138 F HN 0.398 nan 8.300 nan 0.000 0.497 139 F N 1.309 120.812 119.950 -0.745 0.000 2.502 139 F HA 0.178 4.707 4.527 0.004 0.000 0.298 139 F C 0.205 175.890 175.800 -0.191 0.000 1.111 139 F CA 0.767 58.441 58.000 -0.543 0.000 1.445 139 F CB -0.235 38.200 39.000 -0.942 0.000 1.081 139 F HN -0.092 nan 8.300 nan 0.000 0.558 140 L N -0.554 120.791 121.223 0.204 0.000 2.376 140 L HA 0.464 4.806 4.340 0.004 0.000 0.258 140 L C 0.762 177.778 176.870 0.243 0.000 1.013 140 L CA -0.913 54.083 54.840 0.260 0.000 0.822 140 L CB 2.415 44.717 42.059 0.405 0.000 1.388 140 L HN -0.105 nan 8.230 nan 0.000 0.413 141 R N -1.076 119.530 120.500 0.176 0.000 2.509 141 R HA 0.314 4.656 4.340 0.004 0.000 0.297 141 R C -0.580 175.800 176.300 0.133 0.000 0.951 141 R CA -0.305 55.874 56.100 0.132 0.000 1.103 141 R CB 0.802 31.146 30.300 0.073 0.000 1.283 141 R HN 0.557 nan 8.270 nan 0.000 0.534 142 D N 1.765 122.265 120.400 0.167 0.000 2.896 142 D HA 0.325 4.968 4.640 0.004 0.000 0.241 142 D C -2.565 173.861 176.300 0.210 0.000 1.188 142 D CA -2.060 52.033 54.000 0.155 0.000 0.879 142 D CB 3.066 43.942 40.800 0.128 0.000 1.553 142 D HN -0.114 nan 8.370 nan 0.000 0.515 146 F N 3.026 123.164 119.950 0.312 0.000 2.186 146 F HA -0.220 4.308 4.527 0.001 0.000 0.299 146 F C 2.314 178.214 175.800 0.167 0.000 1.090 146 F CA 2.326 60.505 58.000 0.300 0.000 1.307 146 F CB 0.095 39.248 39.000 0.256 0.000 1.019 146 F HN 0.055 nan 8.300 nan 0.000 0.489 147 T N -2.203 112.414 114.554 0.104 0.000 2.737 147 T HA -0.239 4.113 4.350 0.004 0.000 0.265 147 T C 1.899 176.392 174.700 -0.345 0.000 1.038 147 T CA 1.689 63.679 62.100 -0.183 0.000 1.144 147 T CB -1.050 67.694 68.868 -0.207 0.000 0.866 147 T HN 0.407 nan 8.240 nan 0.000 0.434 148 H N 0.139 119.165 119.070 -0.073 0.000 2.387 148 H HA -0.009 4.551 4.556 0.007 0.000 0.299 148 H C 2.074 177.059 175.328 -0.572 0.000 1.099 148 H CA 1.614 57.570 56.048 -0.153 0.000 1.315 148 H CB -0.607 29.221 29.762 0.111 0.000 1.380 148 H HN 0.562 nan 8.280 nan 0.000 0.513 149 F N 1.509 120.992 119.950 -0.779 0.000 2.084 149 F HA -0.159 4.371 4.527 0.005 0.000 0.296 149 F C 2.300 177.587 175.800 -0.856 0.000 1.111 149 F CA 0.868 58.072 58.000 -1.327 0.000 1.224 149 F CB -0.182 38.347 39.000 -0.784 0.000 0.991 149 F HN -0.101 nan 8.300 nan 0.000 0.471 150 I N 1.090 121.063 120.570 -0.995 0.000 2.226 150 I HA -0.252 3.920 4.170 0.004 0.000 0.245 150 I C 2.418 178.127 176.117 -0.679 0.000 1.100 150 I CA 1.480 62.213 61.300 -0.944 0.000 1.374 150 I CB -1.359 36.194 38.000 -0.746 0.000 1.057 150 I HN 0.268 nan 8.210 nan 0.000 0.413 151 R N 0.838 121.025 120.500 -0.521 0.000 2.120 151 R HA -0.131 4.212 4.340 0.004 0.000 0.234 151 R C 2.476 178.533 176.300 -0.405 0.000 1.123 151 R CA 1.689 57.565 56.100 -0.373 0.000 0.975 151 R CB -0.376 29.767 30.300 -0.260 0.000 0.866 151 R HN 0.499 nan 8.270 nan 0.000 0.446 152 S N 0.625 116.001 115.700 -0.540 0.000 2.419 152 S HA -0.133 4.339 4.470 0.004 0.000 0.233 152 S C 1.761 176.009 174.600 -0.587 0.000 1.016 152 S CA 0.827 58.714 58.200 -0.522 0.000 0.974 152 S CB 0.020 62.870 63.200 -0.583 0.000 0.786 152 S HN 0.222 nan 8.310 nan 0.000 0.492 153 Q N 0.797 120.156 119.800 -0.735 0.000 2.451 153 Q HA 0.281 4.623 4.340 0.004 0.000 0.206 153 Q C 0.908 176.673 176.000 -0.392 0.000 0.947 153 Q CA 0.559 55.975 55.803 -0.646 0.000 0.937 153 Q CB 0.171 28.408 28.738 -0.835 0.000 1.025 153 Q HN 0.682 nan 8.270 nan 0.000 0.511 154 K N -0.028 120.171 120.400 -0.335 0.000 3.169 154 K HA 0.407 4.729 4.320 0.004 0.000 0.251 154 K C 0.181 176.681 176.600 -0.168 0.000 0.992 154 K CA -0.594 55.570 56.287 -0.206 0.000 1.643 154 K CB 0.659 33.050 32.500 -0.182 0.000 2.979 154 K HN -0.164 nan 8.250 nan 0.000 0.905 155 R N 0.584 121.009 120.500 -0.125 0.000 2.778 155 R HA 0.404 4.747 4.340 0.004 0.000 0.277 155 R C -0.688 175.561 176.300 -0.085 0.000 0.977 155 R CA -0.731 55.315 56.100 -0.091 0.000 0.950 155 R CB 1.014 31.281 30.300 -0.054 0.000 1.165 155 R HN 0.236 nan 8.270 nan 0.000 0.474 156 L N 3.534 124.715 121.223 -0.070 0.000 2.453 156 L HA 0.080 4.423 4.340 0.004 0.000 0.272 156 L C -1.158 175.686 176.870 -0.044 0.000 1.182 156 L CA -1.209 53.597 54.840 -0.057 0.000 0.858 156 L CB 0.576 42.607 42.059 -0.045 0.000 1.120 156 L HN 0.451 nan 8.230 nan 0.000 0.474 157 P HA -0.157 nan 4.420 nan 0.000 0.218 157 P C 0.535 177.822 177.300 -0.021 0.000 1.149 157 P CA 1.135 64.217 63.100 -0.030 0.000 0.817 157 P CB 0.070 31.754 31.700 -0.026 0.000 0.785 158 D N 0.066 120.455 120.400 -0.019 0.000 2.202 158 D HA -0.090 4.552 4.640 0.004 0.000 0.214 158 D C 1.823 178.116 176.300 -0.012 0.000 0.967 158 D CA 1.658 55.650 54.000 -0.013 0.000 0.871 158 D CB -1.162 39.631 40.800 -0.011 0.000 1.020 158 D HN 0.239 nan 8.370 nan 0.000 0.474 159 S N -1.290 114.402 115.700 -0.015 0.000 2.503 159 S HA 0.339 4.811 4.470 0.004 0.000 0.217 159 S C 1.906 176.499 174.600 -0.012 0.000 0.999 159 S CA 0.463 58.656 58.200 -0.012 0.000 0.914 159 S CB -0.176 63.016 63.200 -0.013 0.000 0.782 159 S HN 0.666 nan 8.310 nan 0.000 0.520 160 G N 1.127 109.916 108.800 -0.018 0.000 2.153 160 G HA2 -0.219 3.744 3.960 0.004 0.000 0.252 160 G HA3 -0.219 3.744 3.960 0.004 0.000 0.252 160 G C -0.160 174.730 174.900 -0.016 0.000 0.994 160 G CA 0.472 45.562 45.100 -0.016 0.000 0.698 160 G HN 0.558 nan 8.290 nan 0.000 0.521 161 L N -0.006 121.201 121.223 -0.027 0.000 2.322 161 L HA 0.564 4.907 4.340 0.004 0.000 0.279 161 L C 1.284 178.117 176.870 -0.062 0.000 1.036 161 L CA -1.179 53.639 54.840 -0.036 0.000 0.807 161 L CB 1.097 43.135 42.059 -0.034 0.000 1.226 161 L HN 0.080 nan 8.230 nan 0.000 0.433 162 R N 1.252 121.702 120.500 -0.083 0.000 2.694 162 R HA 0.201 4.543 4.340 0.004 0.000 0.268 162 R C -0.864 175.365 176.300 -0.119 0.000 1.061 162 R CA -0.103 55.921 56.100 -0.126 0.000 1.133 162 R CB 0.411 30.604 30.300 -0.178 0.000 1.020 162 R HN 0.467 nan 8.270 nan 0.000 0.475 163 D N -0.155 120.165 120.400 -0.132 0.000 2.764 163 D HA 0.205 4.848 4.640 0.004 0.000 0.227 163 D C 0.002 176.245 176.300 -0.095 0.000 1.347 163 D CA -0.368 53.576 54.000 -0.094 0.000 0.953 163 D CB 1.725 42.480 40.800 -0.074 0.000 1.476 163 D HN 0.481 nan 8.370 nan 0.000 0.585 164 A N 2.682 125.482 122.820 -0.033 0.000 2.015 164 A HA 0.030 4.353 4.320 0.004 0.000 0.219 164 A C 1.320 178.992 177.584 0.148 0.000 1.163 164 A CA 1.015 53.076 52.037 0.041 0.000 0.646 164 A CB -0.398 18.710 19.000 0.180 0.000 0.806 164 A HN 0.545 nan 8.150 nan 0.000 0.448 168 W N 2.329 123.529 121.300 -0.166 0.000 2.476 168 W HA -0.055 4.608 4.660 0.006 0.000 0.281 168 W C 1.762 178.279 176.519 -0.003 0.000 1.230 168 W CA 1.153 58.530 57.345 0.053 0.000 1.287 168 W CB 0.151 29.658 29.460 0.078 0.000 1.108 168 W HN 0.304 nan 8.180 nan 0.000 0.567 169 D N -0.034 120.462 120.400 0.161 0.000 2.097 169 D HA -0.255 4.388 4.640 0.004 0.000 0.195 169 D C 1.842 178.184 176.300 0.070 0.000 0.989 169 D CA 1.304 55.358 54.000 0.091 0.000 0.827 169 D CB -0.487 40.345 40.800 0.054 0.000 0.966 169 D HN 0.087 nan 8.370 nan 0.000 0.456 170 F N -0.189 119.714 119.950 -0.078 0.000 2.102 170 F HA -0.146 4.384 4.527 0.006 0.000 0.298 170 F C 1.998 177.836 175.800 0.063 0.000 1.105 170 F CA 1.454 59.413 58.000 -0.068 0.000 1.239 170 F CB -0.285 38.602 39.000 -0.187 0.000 0.991 170 F HN 0.049 nan 8.300 nan 0.000 0.474 171 W N 1.010 122.347 121.300 0.062 0.000 2.358 171 W HA -0.163 4.500 4.660 0.005 0.000 0.303 171 W C 2.904 179.366 176.519 -0.094 0.000 1.208 171 W CA 2.422 59.753 57.345 -0.023 0.000 1.274 171 W CB -1.774 27.626 29.460 -0.100 0.000 1.138 171 W HN 0.175 nan 8.180 nan 0.000 0.515 172 T N -2.398 112.225 114.554 0.115 0.000 2.867 172 T HA -0.153 4.199 4.350 0.004 0.000 0.268 172 T C 1.319 176.077 174.700 0.097 0.000 1.057 172 T CA 1.479 63.630 62.100 0.084 0.000 1.136 172 T CB -0.785 68.110 68.868 0.046 0.000 0.874 172 T HN 0.147 nan 8.240 nan 0.000 0.466 173 N N 1.403 120.091 118.700 -0.019 0.000 2.461 173 N HA 0.109 4.852 4.740 0.004 0.000 0.188 173 N C -0.120 175.299 175.510 -0.153 0.000 1.134 173 N CA 0.066 53.068 53.050 -0.080 0.000 0.878 173 N CB 0.172 38.585 38.487 -0.123 0.000 0.972 173 N HN 0.340 nan 8.380 nan 0.000 0.456 174 N N 0.448 119.046 118.700 -0.170 0.000 2.752 174 N HA 0.117 4.860 4.740 0.004 0.000 0.260 174 N C -2.316 173.193 175.510 -0.002 0.000 1.562 174 N CA -0.872 52.070 53.050 -0.179 0.000 0.788 174 N CB 1.556 39.754 38.487 -0.483 0.000 1.192 174 N HN 0.107 nan 8.380 nan 0.000 0.503 175 P HA -0.150 nan 4.420 nan 0.000 0.228 175 P C 1.131 178.267 177.300 -0.273 0.000 1.151 175 P CA 0.949 64.019 63.100 -0.049 0.000 0.770 175 P CB 0.278 31.949 31.700 -0.048 0.000 0.786 176 E N 0.951 121.054 120.200 -0.161 0.000 2.267 176 E HA -0.166 4.187 4.350 0.004 0.000 0.197 176 E C 1.628 178.162 176.600 -0.111 0.000 0.998 176 E CA 1.541 57.849 56.400 -0.152 0.000 0.830 176 E CB -0.931 28.736 29.700 -0.055 0.000 0.751 176 E HN 0.319 nan 8.360 nan 0.000 0.491 177 S N 0.583 116.277 115.700 -0.011 0.000 2.547 177 S HA 0.112 4.584 4.470 0.004 0.000 0.235 177 S C 2.075 176.666 174.600 -0.016 0.000 0.980 177 S CA 0.449 58.697 58.200 0.080 0.000 0.941 177 S CB 0.104 63.494 63.200 0.318 0.000 0.763 177 S HN 0.432 nan 8.310 nan 0.000 0.532 178 A N 1.703 124.412 122.820 -0.185 0.000 1.902 178 A HA -0.122 4.200 4.320 0.004 0.000 0.217 178 A C 2.063 179.599 177.584 -0.080 0.000 1.181 178 A CA 1.594 53.457 52.037 -0.290 0.000 0.623 178 A CB -1.310 17.255 19.000 -0.724 0.000 0.818 178 A HN 0.793 nan 8.150 nan 0.000 0.443 179 H N -1.341 117.591 119.070 -0.230 0.000 2.290 179 H HA -0.215 4.344 4.556 0.005 0.000 0.298 179 H C 2.362 177.601 175.328 -0.147 0.000 1.087 179 H CA 1.759 57.700 56.048 -0.178 0.000 1.291 179 H CB 0.149 29.775 29.762 -0.226 0.000 1.369 179 H HN 0.530 nan 8.280 nan 0.000 0.492 180 Q N 0.536 120.189 119.800 -0.245 0.000 2.172 180 Q HA -0.061 4.281 4.340 0.004 0.000 0.200 180 Q C 2.283 178.111 176.000 -0.287 0.000 0.964 180 Q CA 1.286 56.793 55.803 -0.493 0.000 0.855 180 Q CB -0.215 27.892 28.738 -1.053 0.000 0.918 180 Q HN 0.359 nan 8.270 nan 0.000 0.444 181 V N 0.264 120.094 119.914 -0.139 0.000 2.490 181 V HA -0.246 3.876 4.120 0.004 0.000 0.250 181 V C 2.090 178.374 176.094 0.316 0.000 1.061 181 V CA 2.084 64.369 62.300 -0.025 0.000 1.064 181 V CB -0.914 30.748 31.823 -0.269 0.000 0.670 181 V HN 0.441 nan 8.190 nan 0.000 0.461 182 T N -0.942 113.897 114.554 0.475 0.000 2.684 182 T HA -0.258 4.094 4.350 0.004 0.000 0.267 182 T C 1.749 176.799 174.700 0.583 0.000 1.036 182 T CA 2.208 64.728 62.100 0.699 0.000 1.148 182 T CB -0.374 68.795 68.868 0.501 0.000 0.863 182 T HN 0.575 nan 8.240 nan 0.000 0.436 183 Y N 1.494 121.933 120.300 0.231 0.000 2.145 183 Y HA 0.038 4.590 4.550 0.004 0.000 0.286 183 Y C 1.152 177.171 175.900 0.198 0.000 1.145 183 Y CA 0.440 58.647 58.100 0.179 0.000 1.148 183 Y CB -0.487 37.958 38.460 -0.025 0.000 0.981 183 Y HN 0.136 nan 8.280 nan 0.000 0.507 187 P HA -0.064 nan 4.420 nan 0.000 0.216 187 P C 1.524 178.783 177.300 -0.068 0.000 1.150 187 P CA 1.023 64.043 63.100 -0.133 0.000 0.843 187 P CB 0.094 31.693 31.700 -0.168 0.000 0.787 188 R N -1.000 119.424 120.500 -0.128 0.000 2.313 188 R HA 0.134 4.476 4.340 0.004 0.000 0.199 188 R C 2.184 178.513 176.300 0.048 0.000 0.958 188 R CA 0.579 56.633 56.100 -0.076 0.000 1.047 188 R CB -0.713 29.438 30.300 -0.249 0.000 0.955 188 R HN 0.210 nan 8.270 nan 0.000 0.481 189 G N 0.471 109.312 108.800 0.068 0.000 2.625 189 G HA2 -0.087 3.876 3.960 0.004 0.000 0.214 189 G HA3 -0.087 3.876 3.960 0.004 0.000 0.214 189 G C 0.604 175.622 174.900 0.196 0.000 1.132 189 G CA 0.343 45.542 45.100 0.165 0.000 0.782 189 G HN 0.152 nan 8.290 nan 0.000 0.538 190 L N 1.428 122.751 121.223 0.167 0.000 2.480 190 L HA 0.287 4.629 4.340 0.004 0.000 0.253 190 L C -2.532 174.457 176.870 0.199 0.000 1.324 190 L CA -1.851 53.105 54.840 0.193 0.000 0.916 190 L CB 2.391 44.534 42.059 0.140 0.000 1.160 190 L HN -0.157 nan 8.230 nan 0.000 0.503 191 P HA 0.048 nan 4.420 nan 0.000 0.268 191 P C 0.396 177.844 177.300 0.245 0.000 1.205 191 P CA -0.080 63.141 63.100 0.201 0.000 0.771 191 P CB 1.055 32.853 31.700 0.163 0.000 0.858 192 R N 1.948 122.580 120.500 0.220 0.000 2.066 192 R HA -0.030 4.313 4.340 0.004 0.000 0.232 192 R C 0.552 177.041 176.300 0.315 0.000 1.131 192 R CA 1.612 57.885 56.100 0.288 0.000 0.955 192 R CB -0.078 30.357 30.300 0.225 0.000 0.851 192 R HN 0.686 nan 8.270 nan 0.000 0.432 193 T N -4.796 109.780 114.554 0.037 0.000 2.864 193 T HA 0.194 4.546 4.350 0.004 0.000 0.299 193 T C 0.141 174.682 174.700 -0.265 0.000 1.166 193 T CA -0.988 60.972 62.100 -0.233 0.000 1.007 193 T CB 0.705 69.510 68.868 -0.105 0.000 1.219 193 T HN 0.150 nan 8.240 nan 0.000 0.506 194 W N 0.899 121.922 121.300 -0.460 0.000 2.465 194 W HA 0.108 4.771 4.660 0.004 0.000 0.268 194 W C 2.196 178.597 176.519 -0.196 0.000 1.242 194 W CA 0.178 57.189 57.345 -0.558 0.000 1.248 194 W CB -0.813 27.900 29.460 -1.244 0.000 1.118 194 W HN 0.730 nan 8.180 nan 0.000 0.587 195 R N 0.091 120.671 120.500 0.133 0.000 2.236 195 R HA -0.058 4.285 4.340 0.004 0.000 0.208 195 R C 0.579 176.932 176.300 0.089 0.000 1.036 195 R CA 0.820 57.019 56.100 0.164 0.000 1.001 195 R CB -0.175 30.157 30.300 0.053 0.000 0.896 195 R HN 0.196 nan 8.270 nan 0.000 0.464 196 E N 0.977 121.265 120.200 0.147 0.000 2.939 196 E HA 0.153 4.505 4.350 0.004 0.000 0.215 196 E C -0.287 176.442 176.600 0.216 0.000 1.025 196 E CA -0.207 56.300 56.400 0.178 0.000 1.259 196 E CB 0.653 30.493 29.700 0.233 0.000 1.228 196 E HN 0.207 nan 8.360 nan 0.000 0.443 197 M N -1.636 118.150 119.600 0.310 0.000 2.575 197 M HA 0.550 5.032 4.480 0.004 0.000 0.284 197 M C -1.224 175.378 176.300 0.503 0.000 1.253 197 M CA -1.097 54.416 55.300 0.356 0.000 0.861 197 M CB 1.791 34.608 32.600 0.362 0.000 1.733 197 M HN -0.311 nan 8.290 nan 0.000 0.462 198 N N 0.476 119.402 118.700 0.378 0.000 2.463 198 N HA 0.746 5.489 4.740 0.004 0.000 0.270 198 N C -0.544 174.907 175.510 -0.098 0.000 1.205 198 N CA -0.045 53.142 53.050 0.230 0.000 0.974 198 N CB 1.574 40.124 38.487 0.104 0.000 1.197 198 N HN 0.888 nan 8.380 nan 0.000 0.504 199 G N -0.213 108.171 108.800 -0.694 0.000 2.542 199 G HA2 0.656 4.619 3.960 0.004 0.000 0.311 199 G HA3 0.656 4.619 3.960 0.004 0.000 0.311 199 G C -1.728 172.592 174.900 -0.967 0.000 1.298 199 G CA -0.278 43.981 45.100 -1.401 0.000 0.973 199 G HN 0.391 nan 8.290 nan 0.000 0.487 200 Y N -0.343 119.807 120.300 -0.250 0.000 2.534 200 Y HA 0.485 5.037 4.550 0.004 0.000 0.345 200 Y C 1.195 177.082 175.900 -0.022 0.000 1.031 200 Y CA -0.344 57.713 58.100 -0.071 0.000 1.022 200 Y CB 2.519 40.912 38.460 -0.112 0.000 1.292 200 Y HN 0.633 nan 8.280 nan 0.000 0.459 201 G N 0.057 108.984 108.800 0.211 0.000 2.448 201 G HA2 0.076 4.039 3.960 0.004 0.000 0.218 201 G HA3 0.076 4.039 3.960 0.004 0.000 0.218 201 G C 0.845 175.850 174.900 0.175 0.000 1.135 201 G CA 0.976 46.221 45.100 0.241 0.000 0.784 201 G HN 0.753 nan 8.290 nan 0.000 0.543 202 S N -0.916 114.820 115.700 0.059 0.000 1.577 202 S HA -0.247 4.225 4.470 0.004 0.000 0.240 202 S C 0.810 175.335 174.600 -0.126 0.000 0.755 202 S CA 1.320 59.444 58.200 -0.127 0.000 1.398 202 S CB -1.327 61.719 63.200 -0.256 0.000 1.552 202 S HN 0.677 nan 8.310 nan 0.000 0.510 203 H N 2.680 121.749 119.070 -0.002 0.000 2.690 203 H HA 0.301 4.859 4.556 0.004 0.000 0.365 203 H C 0.474 175.745 175.328 -0.095 0.000 1.142 203 H CA 0.871 56.836 56.048 -0.137 0.000 1.417 203 H CB 0.085 29.615 29.762 -0.388 0.000 1.446 203 H HN 0.404 nan 8.280 nan 0.000 0.599 204 T N 3.285 117.843 114.554 0.007 0.000 2.888 204 T HA 0.148 4.501 4.350 0.004 0.000 0.301 204 T C -0.107 174.590 174.700 -0.005 0.000 1.001 204 T CA 0.286 62.401 62.100 0.026 0.000 1.147 204 T CB -0.172 68.666 68.868 -0.050 0.000 0.931 204 T HN 0.296 nan 8.240 nan 0.000 0.541 205 Y N 1.123 121.583 120.300 0.267 0.000 2.587 205 Y HA 0.595 5.147 4.550 0.003 0.000 0.337 205 Y C -0.079 176.067 175.900 0.410 0.000 1.065 205 Y CA -1.382 56.935 58.100 0.361 0.000 1.126 205 Y CB 1.281 40.016 38.460 0.458 0.000 1.279 205 Y HN 0.412 nan 8.280 nan 0.000 0.489 206 L N 1.843 123.440 121.223 0.624 0.000 2.289 206 L HA 0.437 4.779 4.340 0.004 0.000 0.285 206 L C -1.719 175.463 176.870 0.520 0.000 1.049 206 L CA -0.569 54.517 54.840 0.411 0.000 0.804 206 L CB 0.237 42.497 42.059 0.335 0.000 1.195 206 L HN 0.485 nan 8.230 nan 0.000 0.428 207 W N 4.873 126.213 121.300 0.066 0.000 2.573 207 W HA 0.668 5.330 4.660 0.003 0.000 0.326 207 W C -1.000 175.538 176.519 0.032 0.000 1.049 207 W CA -0.914 56.463 57.345 0.053 0.000 1.220 207 W CB 1.890 31.371 29.460 0.036 0.000 1.373 207 W HN 0.179 nan 8.180 nan 0.000 0.507 208 V N 5.075 125.075 119.914 0.144 0.000 2.483 208 V HA 0.267 4.390 4.120 0.004 0.000 0.297 208 V C 0.150 176.251 176.094 0.012 0.000 1.027 208 V CA -1.078 61.253 62.300 0.051 0.000 0.855 208 V CB 1.227 33.047 31.823 -0.004 0.000 0.995 208 V HN 0.569 nan 8.190 nan 0.000 0.424 209 N N 4.300 123.020 118.700 0.033 0.000 2.405 209 N HA 0.419 5.162 4.740 0.004 0.000 0.269 209 N C 1.146 176.637 175.510 -0.033 0.000 1.249 209 N CA -0.038 53.011 53.050 -0.001 0.000 0.974 209 N CB 0.992 39.489 38.487 0.017 0.000 1.204 209 N HN 0.544 nan 8.380 nan 0.000 0.565 210 A N -0.820 121.976 122.820 -0.041 0.000 2.019 210 A HA -0.164 4.159 4.320 0.004 0.000 0.219 210 A C 1.595 179.155 177.584 -0.040 0.000 1.164 210 A CA 1.335 53.345 52.037 -0.045 0.000 0.644 210 A CB -0.645 18.328 19.000 -0.045 0.000 0.805 210 A HN 0.675 nan 8.150 nan 0.000 0.449 211 Q N -1.507 118.272 119.800 -0.035 0.000 2.403 211 Q HA 0.333 4.676 4.340 0.004 0.000 0.203 211 Q C 1.200 177.174 176.000 -0.043 0.000 0.932 211 Q CA 0.771 56.553 55.803 -0.036 0.000 0.945 211 Q CB 0.080 28.799 28.738 -0.031 0.000 1.045 211 Q HN 0.915 nan 8.270 nan 0.000 0.511 212 G N -0.027 108.745 108.800 -0.047 0.000 2.175 212 G HA2 -0.279 3.684 3.960 0.004 0.000 0.244 212 G HA3 -0.279 3.684 3.960 0.004 0.000 0.244 212 G C -0.282 174.563 174.900 -0.091 0.000 0.982 212 G CA -0.099 44.962 45.100 -0.066 0.000 0.641 212 G HN 0.380 nan 8.290 nan 0.000 0.527 213 E N 0.671 120.833 120.200 -0.065 0.000 2.354 213 E HA 0.524 4.877 4.350 0.004 0.000 0.269 213 E C 0.187 176.743 176.600 -0.073 0.000 1.036 213 E CA 0.029 56.376 56.400 -0.087 0.000 0.876 213 E CB 0.813 30.496 29.700 -0.029 0.000 1.009 213 E HN 0.331 nan 8.360 nan 0.000 0.416 214 K N 1.855 122.129 120.400 -0.211 0.000 2.207 214 K HA 0.467 4.790 4.320 0.004 0.000 0.255 214 K C -1.060 175.361 176.600 -0.299 0.000 0.941 214 K CA -0.694 55.455 56.287 -0.230 0.000 0.825 214 K CB 1.274 33.484 32.500 -0.483 0.000 1.119 214 K HN 0.438 nan 8.250 nan 0.000 0.430 215 H N -0.191 118.821 119.070 -0.098 0.000 2.768 215 H HA 0.301 4.859 4.556 0.004 0.000 0.371 215 H C -1.306 173.879 175.328 -0.238 0.000 1.151 215 H CA -0.575 55.405 56.048 -0.114 0.000 1.165 215 H CB 0.976 30.772 29.762 0.057 0.000 1.722 215 H HN 0.463 nan 8.280 nan 0.000 0.543 216 W N 3.107 124.480 121.300 0.122 0.000 2.287 216 W HA 0.454 5.116 4.660 0.003 0.000 0.313 216 W C -0.260 176.144 176.519 -0.192 0.000 1.267 216 W CA -0.704 56.636 57.345 -0.007 0.000 1.201 216 W CB 0.803 30.219 29.460 -0.073 0.000 1.196 216 W HN 0.372 nan 8.180 nan 0.000 0.536 217 V N 0.997 120.890 119.914 -0.036 0.000 2.823 217 V HA 0.634 4.756 4.120 0.004 0.000 0.312 217 V C -0.605 175.328 176.094 -0.267 0.000 1.072 217 V CA -1.552 60.504 62.300 -0.406 0.000 0.937 217 V CB 1.870 33.026 31.823 -1.111 0.000 1.013 217 V HN 0.378 nan 8.190 nan 0.000 0.430 218 K N 3.041 123.260 120.400 -0.302 0.000 2.207 218 K HA 0.562 4.885 4.320 0.004 0.000 0.255 218 K C -1.567 174.848 176.600 -0.308 0.000 0.941 218 K CA -0.297 55.883 56.287 -0.178 0.000 0.825 218 K CB 2.177 34.627 32.500 -0.084 0.000 1.119 218 K HN 0.835 nan 8.250 nan 0.000 0.430 219 Y N 1.420 121.581 120.300 -0.232 0.000 2.342 219 Y HA 0.290 4.843 4.550 0.005 0.000 0.334 219 Y C 0.459 176.114 175.900 -0.408 0.000 1.067 219 Y CA -0.375 57.569 58.100 -0.259 0.000 1.128 219 Y CB 1.326 39.727 38.460 -0.098 0.000 1.200 219 Y HN 0.368 nan 8.280 nan 0.000 0.464 220 H N 4.277 123.348 119.070 0.003 0.000 2.924 220 H HA 0.273 4.832 4.556 0.005 0.000 0.333 220 H C -1.615 173.611 175.328 -0.170 0.000 0.979 220 H CA -0.835 55.200 56.048 -0.021 0.000 1.326 220 H CB 1.144 30.971 29.762 0.109 0.000 1.600 220 H HN 0.541 nan 8.280 nan 0.000 0.520 221 F N 3.658 123.544 119.950 -0.108 0.000 2.334 221 F HA 0.237 4.767 4.527 0.005 0.000 0.367 221 F C 0.296 176.196 175.800 0.166 0.000 1.115 221 F CA -0.717 57.322 58.000 0.065 0.000 1.116 221 F CB 0.873 39.801 39.000 -0.120 0.000 1.230 221 F HN 0.333 nan 8.300 nan 0.000 0.484 222 I N 2.523 123.370 120.570 0.463 0.000 2.304 222 I HA 0.109 4.282 4.170 0.004 0.000 0.291 222 I C 0.580 176.891 176.117 0.322 0.000 1.018 222 I CA -0.486 61.026 61.300 0.353 0.000 1.260 222 I CB 0.991 39.166 38.000 0.292 0.000 1.390 222 I HN 0.424 nan 8.210 nan 0.000 0.475 223 S N 5.204 121.009 115.700 0.176 0.000 2.537 223 S HA 0.021 4.494 4.470 0.004 0.000 0.286 223 S C 1.127 175.633 174.600 -0.157 0.000 1.299 223 S CA 0.024 58.045 58.200 -0.298 0.000 1.067 223 S CB 0.385 63.444 63.200 -0.234 0.000 0.864 223 S HN 0.601 nan 8.310 nan 0.000 0.494 224 Q N 2.678 122.341 119.800 -0.228 0.000 2.472 224 Q HA -0.024 4.318 4.340 0.004 0.000 0.208 224 Q C 1.024 176.973 176.000 -0.085 0.000 0.958 224 Q CA 0.692 56.444 55.803 -0.086 0.000 0.932 224 Q CB 0.083 28.790 28.738 -0.052 0.000 1.007 224 Q HN 0.717 nan 8.270 nan 0.000 0.508 225 Q N -0.517 119.192 119.800 -0.152 0.000 2.360 225 Q HA 0.187 4.529 4.340 0.004 0.000 0.202 225 Q C 0.417 176.481 176.000 0.106 0.000 0.915 225 Q CA 0.472 56.248 55.803 -0.045 0.000 0.943 225 Q CB 0.889 29.571 28.738 -0.093 0.000 1.064 225 Q HN 0.359 nan 8.270 nan 0.000 0.511 226 G N -0.560 108.274 108.800 0.056 0.000 2.828 226 G HA2 -0.208 3.754 3.960 0.004 0.000 0.463 226 G HA3 -0.208 3.754 3.960 0.004 0.000 0.463 226 G C -0.807 174.091 174.900 -0.002 0.000 1.394 226 G CA -0.581 44.543 45.100 0.039 0.000 0.862 226 G HN 0.081 nan 8.290 nan 0.000 0.540 227 V N 3.042 122.843 119.914 -0.188 0.000 2.333 227 V HA 0.529 4.652 4.120 0.004 0.000 0.274 227 V C 0.025 175.880 176.094 -0.399 0.000 1.028 227 V CA -0.427 61.795 62.300 -0.131 0.000 0.851 227 V CB 1.052 32.858 31.823 -0.028 0.000 1.000 227 V HN 0.742 nan 8.190 nan 0.000 0.456 228 H N 4.114 123.228 119.070 0.073 0.000 2.589 228 H HA 0.549 5.107 4.556 0.004 0.000 0.351 228 H C -0.825 174.548 175.328 0.076 0.000 1.074 228 H CA -0.696 55.389 56.048 0.062 0.000 1.203 228 H CB 2.361 32.155 29.762 0.054 0.000 1.558 228 H HN 0.560 nan 8.280 nan 0.000 0.522 229 N N 2.051 120.841 118.700 0.149 0.000 2.469 229 N HA 0.449 5.192 4.740 0.004 0.000 0.286 229 N C -0.459 175.113 175.510 0.104 0.000 1.275 229 N CA -0.691 52.429 53.050 0.117 0.000 0.790 229 N CB 2.506 41.030 38.487 0.062 0.000 1.446 229 N HN 0.351 nan 8.380 nan 0.000 0.501 230 L N 0.471 121.750 121.223 0.093 0.000 2.330 230 L HA 0.447 4.790 4.340 0.004 0.000 0.271 230 L C 0.938 177.829 176.870 0.035 0.000 1.013 230 L CA -0.812 54.062 54.840 0.057 0.000 0.816 230 L CB 1.620 43.711 42.059 0.053 0.000 1.287 230 L HN 0.624 nan 8.230 nan 0.000 0.435 231 S N -0.035 115.673 115.700 0.013 0.000 2.600 231 S HA 0.149 4.622 4.470 0.004 0.000 0.265 231 S C 0.806 175.410 174.600 0.007 0.000 1.325 231 S CA -0.686 57.517 58.200 0.003 0.000 1.002 231 S CB 0.753 63.949 63.200 -0.007 0.000 0.921 231 S HN 0.620 nan 8.310 nan 0.000 0.554 232 N N 1.560 120.262 118.700 0.004 0.000 2.061 232 N HA -0.153 4.590 4.740 0.004 0.000 0.193 232 N C 1.031 176.540 175.510 -0.001 0.000 1.030 232 N CA 1.821 54.874 53.050 0.007 0.000 0.856 232 N CB -0.730 37.755 38.487 -0.003 0.000 1.023 232 N HN 0.672 nan 8.380 nan 0.000 0.424 233 D N 1.066 121.459 120.400 -0.011 0.000 2.117 233 D HA -0.104 4.539 4.640 0.004 0.000 0.197 233 D C 1.835 178.120 176.300 -0.025 0.000 0.987 233 D CA 0.884 54.874 54.000 -0.016 0.000 0.829 233 D CB -0.213 40.577 40.800 -0.017 0.000 0.961 233 D HN 0.457 nan 8.370 nan 0.000 0.460 234 E N 0.581 120.763 120.200 -0.030 0.000 2.051 234 E HA -0.113 4.240 4.350 0.004 0.000 0.192 234 E C 2.100 178.653 176.600 -0.079 0.000 0.991 234 E CA 1.072 57.438 56.400 -0.056 0.000 0.799 234 E CB -0.078 29.590 29.700 -0.053 0.000 0.748 234 E HN 0.198 nan 8.360 nan 0.000 0.449 235 A N 0.848 123.642 122.820 -0.043 0.000 1.930 235 A HA -0.151 4.172 4.320 0.004 0.000 0.217 235 A C 2.341 179.920 177.584 -0.008 0.000 1.175 235 A CA 1.695 53.711 52.037 -0.034 0.000 0.627 235 A CB -0.713 18.307 19.000 0.034 0.000 0.815 235 A HN 0.157 nan 8.150 nan 0.000 0.443 236 T N -0.470 114.088 114.554 0.008 0.000 2.737 236 T HA -0.118 4.235 4.350 0.004 0.000 0.265 236 T C 1.998 176.699 174.700 0.000 0.000 1.038 236 T CA 1.559 63.675 62.100 0.026 0.000 1.144 236 T CB -0.162 68.713 68.868 0.011 0.000 0.866 236 T HN 0.578 nan 8.240 nan 0.000 0.434 237 K N 0.689 121.070 120.400 -0.032 0.000 2.044 237 K HA -0.084 4.238 4.320 0.004 0.000 0.210 237 K C 2.171 178.725 176.600 -0.078 0.000 1.049 237 K CA 1.449 57.707 56.287 -0.049 0.000 0.927 237 K CB -0.329 32.135 32.500 -0.060 0.000 0.713 237 K HN 0.315 nan 8.250 nan 0.000 0.443 238 I N 0.767 121.254 120.570 -0.138 0.000 2.394 238 I HA -0.206 3.966 4.170 0.004 0.000 0.251 238 I C 2.379 178.419 176.117 -0.129 0.000 1.136 238 I CA 0.851 62.021 61.300 -0.216 0.000 1.425 238 I CB -0.242 37.485 38.000 -0.456 0.000 1.079 238 I HN 0.240 nan 8.210 nan 0.000 0.425 239 A N 0.917 123.703 122.820 -0.057 0.000 1.940 239 A HA -0.143 4.179 4.320 0.004 0.000 0.219 239 A C 2.430 180.017 177.584 0.006 0.000 1.176 239 A CA 1.983 54.020 52.037 0.001 0.000 0.631 239 A CB -1.323 17.762 19.000 0.142 0.000 0.814 239 A HN 0.454 nan 8.150 nan 0.000 0.446 240 G N -0.754 108.051 108.800 0.008 0.000 2.394 240 G HA2 -0.128 3.834 3.960 0.004 0.000 0.215 240 G HA3 -0.128 3.834 3.960 0.004 0.000 0.215 240 G C 1.455 176.350 174.900 -0.009 0.000 1.165 240 G CA 0.892 45.997 45.100 0.009 0.000 0.784 240 G HN 0.634 nan 8.290 nan 0.000 0.535 241 E N -0.525 119.659 120.200 -0.027 0.000 2.158 241 E HA 0.006 4.359 4.350 0.004 0.000 0.191 241 E C 0.238 176.830 176.600 -0.013 0.000 0.982 241 E CA 0.409 56.794 56.400 -0.024 0.000 0.823 241 E CB 0.244 29.921 29.700 -0.038 0.000 0.766 241 E HN 0.280 nan 8.360 nan 0.000 0.468 242 N N -1.030 117.658 118.700 -0.020 0.000 2.793 242 N HA 0.150 4.893 4.740 0.004 0.000 0.251 242 N C -0.547 174.957 175.510 -0.010 0.000 1.308 242 N CA 0.039 53.095 53.050 0.010 0.000 0.781 242 N CB 1.003 39.542 38.487 0.086 0.000 1.439 242 N HN -0.010 nan 8.380 nan 0.000 0.562 243 A N 1.465 124.262 122.820 -0.039 0.000 2.121 243 A HA -0.009 4.314 4.320 0.004 0.000 0.218 243 A C 0.444 177.975 177.584 -0.087 0.000 1.154 243 A CA 1.064 53.051 52.037 -0.083 0.000 0.679 243 A CB 0.098 19.044 19.000 -0.090 0.000 0.795 243 A HN 0.538 nan 8.150 nan 0.000 0.458 244 D N -1.829 118.541 120.400 -0.050 0.000 2.670 244 D HA 0.177 4.820 4.640 0.004 0.000 0.255 244 D C 0.638 176.894 176.300 -0.075 0.000 1.286 244 D CA -0.433 53.530 54.000 -0.063 0.000 0.830 244 D CB -0.229 40.534 40.800 -0.060 0.000 1.065 244 D HN 0.409 nan 8.370 nan 0.000 0.486 245 F N 1.092 120.906 119.950 -0.227 0.000 2.091 245 F HA -0.265 4.264 4.527 0.004 0.000 0.299 245 F C 2.020 177.672 175.800 -0.245 0.000 1.103 245 F CA 1.955 59.818 58.000 -0.229 0.000 1.228 245 F CB 0.138 38.970 39.000 -0.280 0.000 0.984 245 F HN 0.176 nan 8.300 nan 0.000 0.477 246 H N -1.185 117.603 119.070 -0.470 0.000 2.363 246 H HA -0.103 4.456 4.556 0.004 0.000 0.301 246 H C 2.413 177.123 175.328 -1.030 0.000 1.074 246 H CA 0.956 56.399 56.048 -1.008 0.000 1.354 246 H CB -0.163 28.675 29.762 -1.540 0.000 1.397 246 H HN 0.183 nan 8.280 nan 0.000 0.516 247 R N 1.208 121.408 120.500 -0.499 0.000 2.083 247 R HA -0.205 4.138 4.340 0.004 0.000 0.237 247 R C 2.423 178.709 176.300 -0.023 0.000 1.137 247 R CA 1.915 57.975 56.100 -0.068 0.000 0.951 247 R CB -0.117 30.226 30.300 0.072 0.000 0.851 247 R HN 0.381 nan 8.270 nan 0.000 0.434 248 Q N 0.325 120.047 119.800 -0.129 0.000 2.050 248 Q HA -0.239 4.104 4.340 0.004 0.000 0.202 248 Q C 1.606 177.546 176.000 -0.100 0.000 0.980 248 Q CA 2.311 58.056 55.803 -0.097 0.000 0.840 248 Q CB -0.191 28.470 28.738 -0.130 0.000 0.898 248 Q HN 0.454 nan 8.270 nan 0.000 0.424 249 D N -0.344 119.880 120.400 -0.294 0.000 2.104 249 D HA -0.226 4.417 4.640 0.004 0.000 0.194 249 D C 1.958 178.218 176.300 -0.066 0.000 0.994 249 D CA 1.400 55.235 54.000 -0.275 0.000 0.830 249 D CB -0.177 40.330 40.800 -0.488 0.000 0.959 249 D HN 0.296 nan 8.370 nan 0.000 0.452 250 L N -0.607 120.620 121.223 0.007 0.000 1.994 250 L HA -0.045 4.297 4.340 0.004 0.000 0.208 250 L C 2.057 179.055 176.870 0.212 0.000 1.071 250 L CA 1.666 56.615 54.840 0.181 0.000 0.745 250 L CB -1.014 41.287 42.059 0.403 0.000 0.892 250 L HN 0.184 nan 8.230 nan 0.000 0.431 251 F N 0.556 120.571 119.950 0.107 0.000 2.102 251 F HA -0.216 4.314 4.527 0.004 0.000 0.298 251 F C 2.407 178.249 175.800 0.070 0.000 1.105 251 F CA 2.072 60.134 58.000 0.104 0.000 1.239 251 F CB -0.169 38.886 39.000 0.092 0.000 0.991 251 F HN 0.231 nan 8.300 nan 0.000 0.474 252 E N -0.935 119.423 120.200 0.265 0.000 2.072 252 E HA -0.215 4.138 4.350 0.004 0.000 0.191 252 E C 2.372 179.014 176.600 0.070 0.000 0.985 252 E CA 1.270 57.767 56.400 0.161 0.000 0.801 252 E CB -0.358 29.397 29.700 0.092 0.000 0.750 252 E HN 0.371 nan 8.360 nan 0.000 0.452 253 S N 0.818 116.552 115.700 0.057 0.000 2.356 253 S HA -0.152 4.321 4.470 0.004 0.000 0.223 253 S C 2.042 176.677 174.600 0.059 0.000 1.032 253 S CA 0.924 59.151 58.200 0.045 0.000 1.005 253 S CB -0.222 63.005 63.200 0.045 0.000 0.867 253 S HN 0.184 nan 8.310 nan 0.000 0.449 254 I N 1.802 122.412 120.570 0.065 0.000 2.226 254 I HA -0.137 4.036 4.170 0.004 0.000 0.245 254 I C 2.922 179.050 176.117 0.018 0.000 1.100 254 I CA 1.053 62.403 61.300 0.084 0.000 1.374 254 I CB -0.625 37.384 38.000 0.016 0.000 1.057 254 I HN 0.430 nan 8.210 nan 0.000 0.413 255 A N 0.794 123.566 122.820 -0.080 0.000 1.948 255 A HA -0.240 4.082 4.320 0.004 0.000 0.220 255 A C 2.174 179.763 177.584 0.008 0.000 1.177 255 A CA 1.703 53.705 52.037 -0.058 0.000 0.636 255 A CB -0.475 18.515 19.000 -0.018 0.000 0.815 255 A HN 0.368 nan 8.150 nan 0.000 0.449 256 K N -1.471 118.938 120.400 0.014 0.000 2.487 256 K HA 0.211 4.534 4.320 0.004 0.000 0.192 256 K C 1.012 177.596 176.600 -0.026 0.000 1.027 256 K CA 0.451 56.740 56.287 0.004 0.000 1.054 256 K CB -0.141 32.361 32.500 0.003 0.000 0.824 256 K HN 0.696 nan 8.250 nan 0.000 0.510 257 G N 2.024 110.810 108.800 -0.024 0.000 2.143 257 G HA2 -0.194 3.769 3.960 0.004 0.000 0.249 257 G HA3 -0.194 3.769 3.960 0.004 0.000 0.249 257 G C -0.759 173.904 174.900 -0.396 0.000 0.981 257 G CA -0.045 44.965 45.100 -0.150 0.000 0.665 257 G HN 0.278 nan 8.290 nan 0.000 0.528 258 D N 0.795 121.098 120.400 -0.162 0.000 2.456 258 D HA 0.369 5.011 4.640 0.004 0.000 0.219 258 D C 0.253 176.582 176.300 0.049 0.000 1.126 258 D CA -0.123 53.804 54.000 -0.122 0.000 0.890 258 D CB -0.025 40.755 40.800 -0.034 0.000 1.025 258 D HN 0.591 nan 8.370 nan 0.000 0.511 259 H N 3.301 122.394 119.070 0.038 0.000 2.911 259 H HA 0.202 4.761 4.556 0.005 0.000 0.273 259 H C -1.786 173.586 175.328 0.075 0.000 1.157 259 H CA -1.988 54.101 56.048 0.069 0.000 1.402 259 H CB 0.559 30.363 29.762 0.069 0.000 1.463 259 H HN 0.173 nan 8.280 nan 0.000 0.475 260 P HA 0.050 nan 4.420 nan 0.000 0.268 260 P C -0.565 176.815 177.300 0.133 0.000 1.205 260 P CA -0.075 63.072 63.100 0.078 0.000 0.771 260 P CB 1.369 33.144 31.700 0.126 0.000 0.858 261 K N 1.999 122.329 120.400 -0.117 0.000 2.375 261 K HA 0.565 4.888 4.320 0.004 0.000 0.249 261 K C -0.891 175.644 176.600 -0.109 0.000 0.942 261 K CA -0.485 55.854 56.287 0.087 0.000 0.806 261 K CB 2.304 34.864 32.500 0.100 0.000 1.227 261 K HN 0.515 nan 8.250 nan 0.000 0.430 262 W N 1.485 122.957 121.300 0.287 0.000 2.998 262 W HA 0.241 4.904 4.660 0.006 0.000 0.335 262 W C -0.935 175.797 176.519 0.355 0.000 1.110 262 W CA -0.708 56.849 57.345 0.354 0.000 1.230 262 W CB 2.109 31.871 29.460 0.504 0.000 1.405 262 W HN 0.432 nan 8.180 nan 0.000 0.493 263 D N 2.839 123.522 120.400 0.473 0.000 2.249 263 D HA 0.240 4.882 4.640 0.004 0.000 0.246 263 D C -0.434 176.003 176.300 0.229 0.000 1.114 263 D CA -0.420 53.752 54.000 0.287 0.000 0.854 263 D CB 2.390 43.292 40.800 0.170 0.000 1.132 263 D HN 0.057 nan 8.370 nan 0.000 0.461 264 L N 3.923 125.202 121.223 0.092 0.000 2.290 264 L HA 0.287 4.629 4.340 0.004 0.000 0.284 264 L C -1.449 175.207 176.870 -0.358 0.000 1.078 264 L CA -0.124 54.613 54.840 -0.171 0.000 0.815 264 L CB 0.078 42.065 42.059 -0.120 0.000 1.162 264 L HN 0.228 nan 8.230 nan 0.000 0.435 265 Y N 5.106 125.347 120.300 -0.097 0.000 2.485 265 Y HA 0.638 5.191 4.550 0.004 0.000 0.345 265 Y C 0.129 175.947 175.900 -0.137 0.000 0.998 265 Y CA -0.913 57.138 58.100 -0.081 0.000 1.059 265 Y CB 1.621 40.058 38.460 -0.039 0.000 1.234 265 Y HN 0.591 nan 8.280 nan 0.000 0.461 266 I N -0.949 119.570 120.570 -0.086 0.000 2.797 266 I HA 0.663 4.835 4.170 0.004 0.000 0.307 266 I C -1.137 174.871 176.117 -0.183 0.000 1.033 266 I CA -1.230 59.905 61.300 -0.275 0.000 1.071 266 I CB 2.021 39.565 38.000 -0.760 0.000 1.255 266 I HN 0.503 nan 8.210 nan 0.000 0.445 267 Q N 2.606 122.301 119.800 -0.176 0.000 2.245 267 Q HA 0.758 5.100 4.340 0.004 0.000 0.256 267 Q C -0.891 174.888 176.000 -0.369 0.000 0.942 267 Q CA -1.023 54.667 55.803 -0.189 0.000 0.896 267 Q CB 2.213 30.917 28.738 -0.058 0.000 1.272 267 Q HN 0.855 nan 8.270 nan 0.000 0.442 268 A N 3.325 125.931 122.820 -0.357 0.000 2.340 268 A HA 0.566 4.889 4.320 0.004 0.000 0.297 268 A C -0.837 176.624 177.584 -0.206 0.000 1.195 268 A CA -0.573 51.223 52.037 -0.401 0.000 0.769 268 A CB 0.461 18.986 19.000 -0.791 0.000 1.163 268 A HN 0.726 nan 8.150 nan 0.000 0.472 269 I N 3.747 124.176 120.570 -0.235 0.000 2.336 269 I HA 0.314 4.487 4.170 0.004 0.000 0.292 269 I C -2.290 173.880 176.117 0.088 0.000 0.991 269 I CA -2.312 58.781 61.300 -0.344 0.000 1.227 269 I CB 2.133 39.797 38.000 -0.561 0.000 1.366 269 I HN 0.374 nan 8.210 nan 0.000 0.466 270 P HA -0.072 nan 4.420 nan 0.000 0.266 270 P C 0.262 177.615 177.300 0.088 0.000 1.195 270 P CA 0.099 63.220 63.100 0.034 0.000 0.768 270 P CB 0.448 32.219 31.700 0.119 0.000 0.838 271 Y N 3.382 123.572 120.300 -0.183 0.000 2.069 271 Y HA -0.314 4.238 4.550 0.004 0.000 0.278 271 Y C 1.914 177.980 175.900 0.275 0.000 1.175 271 Y CA 1.979 60.038 58.100 -0.068 0.000 1.134 271 Y CB -0.257 38.089 38.460 -0.189 0.000 0.965 271 Y HN 0.367 nan 8.280 nan 0.000 0.498 272 E N 0.195 120.523 120.200 0.215 0.000 2.274 272 E HA -0.164 4.188 4.350 0.004 0.000 0.194 272 E C 1.911 178.583 176.600 0.120 0.000 0.996 272 E CA 1.202 57.682 56.400 0.134 0.000 0.840 272 E CB -0.219 29.573 29.700 0.153 0.000 0.772 272 E HN 0.710 nan 8.360 nan 0.000 0.491 273 E N 0.061 120.351 120.200 0.151 0.000 2.347 273 E HA -0.055 4.298 4.350 0.004 0.000 0.196 273 E C 1.991 178.647 176.600 0.094 0.000 1.008 273 E CA 0.520 57.005 56.400 0.143 0.000 0.852 273 E CB -0.071 29.737 29.700 0.180 0.000 0.783 273 E HN 0.240 nan 8.360 nan 0.000 0.505 274 G N 1.654 110.512 108.800 0.097 0.000 2.432 274 G HA2 -0.270 3.693 3.960 0.004 0.000 0.219 274 G HA3 -0.270 3.693 3.960 0.004 0.000 0.219 274 G C 1.470 176.309 174.900 -0.102 0.000 1.135 274 G CA 0.662 45.666 45.100 -0.160 0.000 0.767 274 G HN 0.106 nan 8.290 nan 0.000 0.550 275 K N 0.271 120.684 120.400 0.022 0.000 2.243 275 K HA 0.052 4.374 4.320 0.004 0.000 0.201 275 K C 2.540 179.160 176.600 0.034 0.000 1.051 275 K CA 1.434 57.745 56.287 0.041 0.000 0.970 275 K CB -0.152 32.367 32.500 0.031 0.000 0.755 275 K HN 0.437 nan 8.250 nan 0.000 0.465 276 T N -2.900 111.687 114.554 0.055 0.000 3.014 276 T HA 0.084 4.437 4.350 0.004 0.000 0.250 276 T C 0.491 175.239 174.700 0.080 0.000 1.060 276 T CA -0.407 61.727 62.100 0.057 0.000 1.040 276 T CB -0.383 68.528 68.868 0.071 0.000 0.971 276 T HN 0.021 nan 8.240 nan 0.000 0.497 277 Y N 4.346 124.624 120.300 -0.038 0.000 2.702 277 Y HA 0.122 4.675 4.550 0.004 0.000 0.336 277 Y C 1.884 177.734 175.900 -0.083 0.000 1.235 277 Y CA -1.229 56.855 58.100 -0.027 0.000 1.492 277 Y CB 0.717 39.176 38.460 -0.001 0.000 1.308 277 Y HN 0.171 nan 8.280 nan 0.000 0.589 278 R N 2.619 122.684 120.500 -0.726 0.000 2.237 278 R HA -0.033 4.310 4.340 0.004 0.000 0.219 278 R C -0.712 175.087 176.300 -0.836 0.000 1.080 278 R CA 0.833 56.490 56.100 -0.738 0.000 0.995 278 R CB -0.328 29.488 30.300 -0.806 0.000 0.875 278 R HN 0.320 nan 8.270 nan 0.000 0.462 279 F N 1.162 120.671 119.950 -0.735 0.000 2.492 279 F HA 0.289 4.818 4.527 0.004 0.000 0.327 279 F C 0.224 175.927 175.800 -0.162 0.000 1.079 279 F CA -1.979 55.825 58.000 -0.327 0.000 0.967 279 F CB 1.126 39.999 39.000 -0.212 0.000 1.169 279 F HN -0.142 nan 8.300 nan 0.000 0.472 280 N N 4.395 123.132 118.700 0.062 0.000 2.401 280 N HA 0.193 4.936 4.740 0.004 0.000 0.255 280 N C -1.920 173.477 175.510 -0.190 0.000 1.110 280 N CA -2.174 50.831 53.050 -0.077 0.000 0.949 280 N CB 0.984 39.448 38.487 -0.039 0.000 1.110 280 N HN 0.157 nan 8.380 nan 0.000 0.490 281 P HA -0.009 nan 4.420 nan 0.000 0.234 281 P C 0.138 177.030 177.300 -0.680 0.000 1.167 281 P CA 0.803 63.543 63.100 -0.599 0.000 0.763 281 P CB -0.049 31.151 31.700 -0.834 0.000 0.835 282 F N -0.569 119.240 119.950 -0.234 0.000 2.664 282 F HA 0.236 4.765 4.527 0.004 0.000 0.303 282 F C 0.710 176.426 175.800 -0.141 0.000 1.092 282 F CA -0.930 56.915 58.000 -0.258 0.000 1.305 282 F CB -0.401 38.386 39.000 -0.356 0.000 1.054 282 F HN -0.136 nan 8.300 nan 0.000 0.565 283 D N 0.985 121.377 120.400 -0.014 0.000 2.427 283 D HA 0.114 4.757 4.640 0.004 0.000 0.226 283 D C 0.939 177.227 176.300 -0.021 0.000 1.076 283 D CA -0.227 53.774 54.000 0.001 0.000 0.849 283 D CB 1.119 41.913 40.800 -0.009 0.000 1.052 283 D HN 0.089 nan 8.370 nan 0.000 0.515 284 L N 3.834 125.064 121.223 0.012 0.000 2.549 284 L HA -0.028 4.315 4.340 0.004 0.000 0.230 284 L C 1.858 178.692 176.870 -0.060 0.000 1.162 284 L CA 1.682 56.510 54.840 -0.021 0.000 0.834 284 L CB -0.553 41.524 42.059 0.030 0.000 0.947 284 L HN 0.589 nan 8.230 nan 0.000 0.452 285 T N -4.137 110.390 114.554 -0.045 0.000 3.129 285 T HA 0.115 4.468 4.350 0.004 0.000 0.251 285 T C 0.634 175.317 174.700 -0.028 0.000 1.117 285 T CA -0.235 61.821 62.100 -0.072 0.000 1.034 285 T CB -0.159 68.679 68.868 -0.051 0.000 0.968 285 T HN -0.008 nan 8.240 nan 0.000 0.526 286 K N 2.997 123.355 120.400 -0.071 0.000 2.221 286 K HA 0.440 4.762 4.320 0.004 0.000 0.258 286 K C 0.054 176.574 176.600 -0.133 0.000 0.944 286 K CA -0.404 55.821 56.287 -0.103 0.000 0.823 286 K CB 1.854 34.277 32.500 -0.129 0.000 1.113 286 K HN 0.407 nan 8.250 nan 0.000 0.431 287 T N -0.606 113.865 114.554 -0.138 0.000 2.918 287 T HA 0.524 4.876 4.350 0.004 0.000 0.283 287 T C 0.516 175.150 174.700 -0.110 0.000 1.001 287 T CA -0.861 61.169 62.100 -0.118 0.000 1.041 287 T CB 0.812 69.637 68.868 -0.072 0.000 1.028 287 T HN 0.216 nan 8.240 nan 0.000 0.511 288 I N 2.129 122.716 120.570 0.028 0.000 2.378 288 I HA 0.300 4.472 4.170 0.004 0.000 0.291 288 I C 0.863 177.090 176.117 0.182 0.000 0.992 288 I CA -0.734 60.680 61.300 0.189 0.000 1.154 288 I CB 1.219 39.274 38.000 0.092 0.000 1.315 288 I HN 0.917 nan 8.210 nan 0.000 0.448 289 S N 5.149 121.035 115.700 0.310 0.000 2.549 289 S HA 0.024 4.497 4.470 0.004 0.000 0.286 289 S C 0.990 175.663 174.600 0.121 0.000 1.314 289 S CA 0.179 58.501 58.200 0.203 0.000 1.062 289 S CB 0.527 63.891 63.200 0.273 0.000 0.865 289 S HN 0.623 nan 8.310 nan 0.000 0.498 290 Q N 2.868 122.691 119.800 0.040 0.000 2.378 290 Q HA -0.007 4.336 4.340 0.004 0.000 0.205 290 Q C 1.800 177.787 176.000 -0.022 0.000 0.954 290 Q CA 0.820 56.616 55.803 -0.010 0.000 0.901 290 Q CB 0.061 28.759 28.738 -0.066 0.000 0.981 290 Q HN 0.709 nan 8.270 nan 0.000 0.483 291 K N 0.522 120.916 120.400 -0.010 0.000 2.001 291 K HA -0.141 4.182 4.320 0.004 0.000 0.208 291 K C 1.478 178.027 176.600 -0.085 0.000 1.048 291 K CA 1.542 57.810 56.287 -0.032 0.000 0.932 291 K CB 0.163 32.657 32.500 -0.010 0.000 0.715 291 K HN 0.131 nan 8.250 nan 0.000 0.437 292 D N -0.691 119.647 120.400 -0.104 0.000 2.117 292 D HA -0.121 4.522 4.640 0.004 0.000 0.198 292 D C -0.035 175.848 176.300 -0.694 0.000 0.982 292 D CA 1.387 55.170 54.000 -0.361 0.000 0.828 292 D CB 0.100 40.758 40.800 -0.237 0.000 0.967 292 D HN 0.180 nan 8.370 nan 0.000 0.464 293 Y N 0.206 120.465 120.300 -0.067 0.000 2.594 293 Y HA 0.324 4.877 4.550 0.005 0.000 0.338 293 Y C -2.293 173.554 175.900 -0.089 0.000 1.019 293 Y CA -2.558 55.484 58.100 -0.097 0.000 1.306 293 Y CB 1.755 40.118 38.460 -0.161 0.000 1.094 293 Y HN -0.168 nan 8.280 nan 0.000 0.534 294 P HA 0.195 nan 4.420 nan 0.000 0.274 294 P C -0.260 177.020 177.300 -0.033 0.000 1.237 294 P CA -0.480 62.607 63.100 -0.021 0.000 0.793 294 P CB 0.876 32.563 31.700 -0.021 0.000 0.977 295 R N 1.480 121.931 120.500 -0.082 0.000 2.570 295 R HA 0.300 4.643 4.340 0.004 0.000 0.277 295 R C -0.004 176.342 176.300 0.076 0.000 1.039 295 R CA 0.139 56.207 56.100 -0.053 0.000 1.065 295 R CB -0.216 29.957 30.300 -0.210 0.000 0.964 295 R HN 0.473 nan 8.270 nan 0.000 0.428 296 I N 2.568 123.204 120.570 0.109 0.000 2.410 296 I HA 0.197 4.369 4.170 0.004 0.000 0.286 296 I C 0.041 176.219 176.117 0.102 0.000 1.009 296 I CA -0.749 60.607 61.300 0.093 0.000 1.111 296 I CB 1.803 39.777 38.000 -0.043 0.000 1.262 296 I HN 0.426 nan 8.210 nan 0.000 0.443 297 K N 4.230 124.678 120.400 0.080 0.000 2.382 297 K HA 0.237 4.559 4.320 0.004 0.000 0.275 297 K C 0.121 176.642 176.600 -0.132 0.000 1.009 297 K CA 0.011 56.154 56.287 -0.241 0.000 0.970 297 K CB 1.129 33.495 32.500 -0.223 0.000 0.934 297 K HN 0.494 nan 8.250 nan 0.000 0.479 298 V N 1.997 121.817 119.914 -0.156 0.000 2.996 298 V HA 0.350 4.472 4.120 0.004 0.000 0.235 298 V C 0.821 176.982 176.094 0.111 0.000 1.205 298 V CA 0.746 63.058 62.300 0.020 0.000 1.225 298 V CB 0.533 32.358 31.823 0.004 0.000 0.995 298 V HN 1.052 nan 8.190 nan 0.000 0.484 299 G N -0.673 108.184 108.800 0.095 0.000 2.323 299 G HA2 0.419 4.381 3.960 0.004 0.000 0.291 299 G HA3 0.419 4.381 3.960 0.004 0.000 0.291 299 G C -1.366 173.520 174.900 -0.024 0.000 1.278 299 G CA 0.061 45.152 45.100 -0.014 0.000 0.860 299 G HN -0.060 nan 8.290 nan 0.000 0.504 300 T N 0.498 114.866 114.554 -0.310 0.000 2.848 300 T HA 0.556 4.908 4.350 0.004 0.000 0.285 300 T C -0.993 173.693 174.700 -0.023 0.000 0.995 300 T CA -0.298 61.782 62.100 -0.033 0.000 0.970 300 T CB 1.674 70.536 68.868 -0.010 0.000 0.976 300 T HN 0.706 nan 8.240 nan 0.000 0.441 301 L N 3.715 125.218 121.223 0.467 0.000 2.275 301 L HA 0.673 5.016 4.340 0.004 0.000 0.288 301 L C -0.343 176.788 176.870 0.435 0.000 1.046 301 L CA 0.378 55.553 54.840 0.559 0.000 0.805 301 L CB 1.060 43.539 42.059 0.700 0.000 1.193 301 L HN 0.620 nan 8.230 nan 0.000 0.426 302 T N 6.101 120.836 114.554 0.302 0.000 2.848 302 T HA 0.522 4.875 4.350 0.004 0.000 0.285 302 T C -0.451 174.368 174.700 0.199 0.000 0.995 302 T CA -0.444 61.813 62.100 0.261 0.000 0.970 302 T CB 1.112 70.080 68.868 0.166 0.000 0.976 302 T HN 0.420 nan 8.240 nan 0.000 0.441 303 L N 4.142 125.507 121.223 0.236 0.000 2.275 303 L HA 0.479 4.822 4.340 0.004 0.000 0.288 303 L C 0.648 177.498 176.870 -0.033 0.000 1.046 303 L CA -0.620 54.295 54.840 0.126 0.000 0.805 303 L CB 0.725 42.915 42.059 0.219 0.000 1.193 303 L HN 0.773 nan 8.230 nan 0.000 0.426 304 N N 1.873 120.473 118.700 -0.166 0.000 2.081 304 N HA 0.100 4.843 4.740 0.004 0.000 0.230 304 N C -0.135 175.215 175.510 -0.267 0.000 1.351 304 N CA -0.522 52.197 53.050 -0.551 0.000 0.840 304 N CB 0.658 38.738 38.487 -0.679 0.000 1.189 304 N HN 0.524 nan 8.380 nan 0.000 0.503 305 R N 0.363 120.827 120.500 -0.060 0.000 2.510 305 R HA 0.362 4.704 4.340 0.004 0.000 0.287 305 R C -1.477 174.878 176.300 0.091 0.000 1.084 305 R CA -0.498 55.606 56.100 0.007 0.000 0.934 305 R CB 0.791 31.105 30.300 0.023 0.000 1.201 305 R HN -0.043 nan 8.270 nan 0.000 0.431 306 N N 3.675 122.368 118.700 -0.011 0.000 2.503 306 N HA 0.273 5.016 4.740 0.004 0.000 0.267 306 N C -2.398 173.227 175.510 0.192 0.000 1.214 306 N CA -1.444 51.591 53.050 -0.025 0.000 0.959 306 N CB 0.810 38.991 38.487 -0.509 0.000 1.142 306 N HN 0.407 nan 8.380 nan 0.000 0.455 307 P HA 0.085 nan 4.420 nan 0.000 0.269 307 P C 0.223 177.707 177.300 0.307 0.000 1.209 307 P CA 0.123 63.447 63.100 0.373 0.000 0.776 307 P CB 0.797 32.704 31.700 0.346 0.000 0.876 308 E N 0.386 120.716 120.200 0.218 0.000 2.340 308 E HA -0.002 4.350 4.350 0.004 0.000 0.194 308 E C 0.364 177.075 176.600 0.185 0.000 0.996 308 E CA 0.502 57.010 56.400 0.180 0.000 0.869 308 E CB 0.232 29.989 29.700 0.095 0.000 0.835 308 E HN 0.384 nan 8.360 nan 0.000 0.493 309 N N -0.097 118.720 118.700 0.194 0.000 2.549 309 N HA 0.008 4.751 4.740 0.004 0.000 0.281 309 N C -0.080 175.566 175.510 0.227 0.000 1.084 309 N CA -0.028 53.141 53.050 0.197 0.000 0.862 309 N CB 1.056 39.637 38.487 0.157 0.000 1.333 309 N HN 0.017 nan 8.380 nan 0.000 0.523 310 H N 3.219 122.390 119.070 0.169 0.000 2.353 310 H HA -0.084 4.474 4.556 0.004 0.000 0.300 310 H C 1.409 176.819 175.328 0.137 0.000 1.090 310 H CA 2.022 58.160 56.048 0.151 0.000 1.327 310 H CB 0.110 29.951 29.762 0.133 0.000 1.383 310 H HN 0.592 nan 8.280 nan 0.000 0.508 311 F N 0.451 120.463 119.950 0.104 0.000 2.128 311 F HA -0.008 4.515 4.527 -0.007 0.000 0.295 311 F C 2.477 178.267 175.800 -0.016 0.000 1.100 311 F CA 1.379 59.404 58.000 0.041 0.000 1.260 311 F CB -0.646 38.402 39.000 0.080 0.000 1.009 311 F HN 0.262 nan 8.300 nan 0.000 0.476 312 A N -0.349 122.568 122.820 0.162 0.000 1.929 312 A HA -0.138 4.185 4.320 0.004 0.000 0.216 312 A C 2.025 179.581 177.584 -0.047 0.000 1.176 312 A CA 1.612 53.683 52.037 0.056 0.000 0.628 312 A CB -0.558 18.522 19.000 0.133 0.000 0.816 312 A HN 0.602 nan 8.150 nan 0.000 0.444 313 Q N -1.416 118.376 119.800 -0.014 0.000 2.391 313 Q HA 0.199 4.542 4.340 0.004 0.000 0.211 313 Q C 1.201 177.121 176.000 -0.133 0.000 0.908 313 Q CA 0.318 56.133 55.803 0.020 0.000 0.920 313 Q CB 0.378 29.252 28.738 0.227 0.000 1.056 313 Q HN 0.560 nan 8.270 nan 0.000 0.523 314 I N -0.686 119.722 120.570 -0.271 0.000 3.518 314 I HA -0.021 4.152 4.170 0.004 0.000 0.260 314 I C 1.989 177.883 176.117 -0.371 0.000 1.148 314 I CA 0.612 61.700 61.300 -0.354 0.000 1.440 314 I CB -0.774 36.909 38.000 -0.528 0.000 1.485 314 I HN 0.042 nan 8.210 nan 0.000 0.456 315 E N 1.724 121.622 120.200 -0.503 0.000 2.118 315 E HA -0.145 4.207 4.350 0.004 0.000 0.195 315 E C 1.954 178.280 176.600 -0.457 0.000 0.992 315 E CA 1.715 57.855 56.400 -0.433 0.000 0.804 315 E CB 0.009 29.429 29.700 -0.467 0.000 0.741 315 E HN 0.217 nan 8.360 nan 0.000 0.458 316 S N -0.194 115.185 115.700 -0.535 0.000 2.593 316 S HA 0.327 4.800 4.470 0.004 0.000 0.217 316 S C 0.391 174.832 174.600 -0.265 0.000 0.966 316 S CA 0.161 58.122 58.200 -0.399 0.000 0.914 316 S CB 0.189 63.156 63.200 -0.388 0.000 0.776 316 S HN 0.451 nan 8.310 nan 0.000 0.523 317 A N 1.542 124.198 122.820 -0.274 0.000 2.462 317 A HA 0.638 4.961 4.320 0.004 0.000 0.243 317 A C 0.265 177.660 177.584 -0.316 0.000 1.076 317 A CA -0.073 51.755 52.037 -0.349 0.000 0.773 317 A CB 0.138 18.874 19.000 -0.440 0.000 1.010 317 A HN 0.428 nan 8.150 nan 0.000 0.493 318 A N 2.445 125.022 122.820 -0.404 0.000 2.545 318 A HA 0.631 4.953 4.320 0.004 0.000 0.300 318 A C -0.753 176.676 177.584 -0.259 0.000 1.252 318 A CA -0.429 51.481 52.037 -0.212 0.000 0.753 318 A CB 0.033 18.957 19.000 -0.127 0.000 1.144 318 A HN 0.602 nan 8.150 nan 0.000 0.457 319 F N 1.247 121.146 119.950 -0.086 0.000 2.385 319 F HA 0.667 5.197 4.527 0.004 0.000 0.336 319 F C 1.043 176.771 175.800 -0.119 0.000 1.100 319 F CA 0.058 57.969 58.000 -0.149 0.000 1.116 319 F CB 2.024 40.892 39.000 -0.219 0.000 1.166 319 F HN 0.429 nan 8.300 nan 0.000 0.511 320 S N 2.725 118.402 115.700 -0.038 0.000 2.575 320 S HA 0.419 4.892 4.470 0.004 0.000 0.278 320 S C -2.272 172.178 174.600 -0.251 0.000 1.139 320 S CA -1.497 56.588 58.200 -0.192 0.000 0.954 320 S CB 1.755 64.939 63.200 -0.027 0.000 1.054 320 S HN 0.240 nan 8.310 nan 0.000 0.483 321 P HA -0.071 nan 4.420 nan 0.000 0.225 321 P C 1.381 178.668 177.300 -0.021 0.000 1.148 321 P CA 1.021 64.024 63.100 -0.161 0.000 0.779 321 P CB -0.021 31.573 31.700 -0.177 0.000 0.780 322 S N -1.714 113.960 115.700 -0.043 0.000 2.474 322 S HA -0.067 4.406 4.470 0.004 0.000 0.235 322 S C 1.183 175.796 174.600 0.021 0.000 0.997 322 S CA 0.538 58.745 58.200 0.011 0.000 0.949 322 S CB -1.165 62.030 63.200 -0.010 0.000 0.766 322 S HN 0.050 nan 8.310 nan 0.000 0.517 323 N N 3.759 122.458 118.700 -0.002 0.000 3.193 323 N HA 0.128 4.871 4.740 0.004 0.000 0.312 323 N C 0.170 175.751 175.510 0.118 0.000 1.261 323 N CA 0.357 53.414 53.050 0.013 0.000 1.208 323 N CB 0.049 38.508 38.487 -0.047 0.000 1.471 323 N HN 0.699 nan 8.380 nan 0.000 0.548 324 T N -2.663 111.981 114.554 0.150 0.000 2.824 324 T HA 0.613 4.966 4.350 0.004 0.000 0.277 324 T C 0.673 175.437 174.700 0.106 0.000 0.975 324 T CA -0.720 61.513 62.100 0.222 0.000 0.966 324 T CB 1.330 70.302 68.868 0.173 0.000 1.054 324 T HN 0.022 nan 8.240 nan 0.000 0.533 325 V N -3.596 116.306 119.914 -0.021 0.000 3.141 325 V HA 0.724 4.846 4.120 0.004 0.000 0.312 325 V C -3.124 172.888 176.094 -0.137 0.000 1.157 325 V CA -3.339 58.901 62.300 -0.099 0.000 1.041 325 V CB 0.991 32.707 31.823 -0.179 0.000 1.071 325 V HN 0.703 nan 8.190 nan 0.000 0.441 326 P HA 0.327 nan 4.420 nan 0.000 0.261 326 P C 0.908 178.104 177.300 -0.174 0.000 1.183 326 P CA 1.976 65.008 63.100 -0.114 0.000 0.761 326 P CB 0.498 32.142 31.700 -0.094 0.000 0.785 327 G N 2.463 111.175 108.800 -0.147 0.000 2.195 327 G HA2 -0.178 3.785 3.960 0.004 0.000 0.224 327 G HA3 -0.178 3.785 3.960 0.004 0.000 0.224 327 G C -0.046 174.718 174.900 -0.227 0.000 0.990 327 G CA -0.346 44.634 45.100 -0.199 0.000 0.639 327 G HN 0.502 nan 8.290 nan 0.000 0.514 328 I N 0.692 121.173 120.570 -0.147 0.000 2.534 328 I HA 0.645 4.817 4.170 0.004 0.000 0.288 328 I C 0.497 176.711 176.117 0.162 0.000 1.077 328 I CA -0.482 60.822 61.300 0.006 0.000 1.051 328 I CB 1.989 39.874 38.000 -0.192 0.000 1.234 328 I HN 0.226 nan 8.210 nan 0.000 0.425 329 G N 5.163 114.163 108.800 0.332 0.000 2.816 329 G HA2 0.782 4.745 3.960 0.004 0.000 0.288 329 G HA3 0.782 4.745 3.960 0.004 0.000 0.288 329 G C -0.508 174.711 174.900 0.532 0.000 1.334 329 G CA -0.732 44.592 45.100 0.373 0.000 0.978 329 G HN 0.389 nan 8.290 nan 0.000 0.493 330 L N -0.315 121.205 121.223 0.496 0.000 2.777 330 L HA 0.666 5.008 4.340 0.004 0.000 0.195 330 L C 1.060 178.154 176.870 0.373 0.000 1.190 330 L CA -0.399 54.688 54.840 0.411 0.000 0.933 330 L CB 0.772 43.029 42.059 0.330 0.000 1.758 330 L HN 0.743 nan 8.230 nan 0.000 0.515 331 S N -2.675 113.042 115.700 0.027 0.000 2.615 331 S HA 0.395 4.868 4.470 0.004 0.000 0.269 331 S C -2.624 171.483 174.600 -0.821 0.000 1.161 331 S CA -1.002 56.920 58.200 -0.464 0.000 0.817 331 S CB 1.406 64.514 63.200 -0.152 0.000 1.131 331 S HN 0.240 nan 8.310 nan 0.000 0.467 332 P HA 0.102 nan 4.420 nan 0.000 0.242 332 P C -0.406 176.599 177.300 -0.491 0.000 1.198 332 P CA 0.534 63.048 63.100 -0.978 0.000 0.756 332 P CB -0.441 30.370 31.700 -1.482 0.000 0.911 333 D N 0.336 120.551 120.400 -0.308 0.000 2.349 333 D HA -0.016 4.627 4.640 0.004 0.000 0.266 333 D C 1.223 177.479 176.300 -0.073 0.000 1.293 333 D CA 0.147 54.093 54.000 -0.091 0.000 0.926 333 D CB 0.484 41.263 40.800 -0.036 0.000 1.090 333 D HN 0.029 nan 8.370 nan 0.000 0.502 334 R N 3.253 123.741 120.500 -0.020 0.000 2.117 334 R HA -0.165 4.177 4.340 0.004 0.000 0.243 334 R C 2.076 178.392 176.300 0.026 0.000 1.143 334 R CA 1.164 57.272 56.100 0.013 0.000 0.968 334 R CB -0.099 30.226 30.300 0.042 0.000 0.863 334 R HN 0.549 nan 8.270 nan 0.000 0.444 335 M N 0.242 119.875 119.600 0.055 0.000 2.108 335 M HA -0.153 4.329 4.480 0.004 0.000 0.261 335 M C 2.315 178.593 176.300 -0.036 0.000 1.066 335 M CA 1.288 56.637 55.300 0.082 0.000 1.107 335 M CB -0.808 31.913 32.600 0.201 0.000 1.356 335 M HN 0.174 nan 8.290 nan 0.000 0.406 336 L N 0.778 121.848 121.223 -0.254 0.000 2.093 336 L HA -0.090 4.253 4.340 0.004 0.000 0.208 336 L C 2.157 178.910 176.870 -0.197 0.000 1.085 336 L CA 1.529 56.031 54.840 -0.563 0.000 0.755 336 L CB -0.746 40.797 42.059 -0.860 0.000 0.904 336 L HN 0.212 nan 8.230 nan 0.000 0.435 337 L N -0.811 120.363 121.223 -0.082 0.000 2.083 337 L HA -0.105 4.238 4.340 0.004 0.000 0.209 337 L C 2.512 179.422 176.870 0.067 0.000 1.083 337 L CA 1.184 56.041 54.840 0.029 0.000 0.752 337 L CB -1.450 40.650 42.059 0.068 0.000 0.899 337 L HN 0.445 nan 8.230 nan 0.000 0.433 338 G N -0.156 108.679 108.800 0.058 0.000 2.408 338 G HA2 -0.200 3.762 3.960 0.004 0.000 0.217 338 G HA3 -0.200 3.762 3.960 0.004 0.000 0.217 338 G C 1.748 176.733 174.900 0.141 0.000 1.150 338 G CA 0.255 45.420 45.100 0.110 0.000 0.776 338 G HN 0.274 nan 8.290 nan 0.000 0.542 339 R N 0.491 121.035 120.500 0.073 0.000 2.120 339 R HA 0.047 4.390 4.340 0.004 0.000 0.234 339 R C 2.921 179.308 176.300 0.146 0.000 1.123 339 R CA 0.943 57.133 56.100 0.150 0.000 0.975 339 R CB -0.280 30.062 30.300 0.069 0.000 0.866 339 R HN 0.345 nan 8.270 nan 0.000 0.446 340 A N 0.559 123.433 122.820 0.091 0.000 2.019 340 A HA -0.182 4.141 4.320 0.004 0.000 0.219 340 A C 1.841 179.513 177.584 0.147 0.000 1.164 340 A CA 1.041 53.133 52.037 0.091 0.000 0.644 340 A CB -0.427 18.630 19.000 0.095 0.000 0.805 340 A HN 0.406 nan 8.150 nan 0.000 0.449 341 F N 0.401 120.403 119.950 0.086 0.000 2.219 341 F HA 0.264 4.793 4.527 0.004 0.000 0.294 341 F C 2.326 178.208 175.800 0.136 0.000 1.086 341 F CA 0.901 58.958 58.000 0.095 0.000 1.330 341 F CB -0.432 38.608 39.000 0.066 0.000 1.047 341 F HN 0.185 nan 8.300 nan 0.000 0.495 342 A N -0.756 121.977 122.820 -0.145 0.000 1.968 342 A HA -0.085 4.238 4.320 0.004 0.000 0.217 342 A C 1.863 179.307 177.584 -0.234 0.000 1.169 342 A CA 1.253 53.121 52.037 -0.280 0.000 0.638 342 A CB -1.240 17.738 19.000 -0.036 0.000 0.812 342 A HN 0.517 nan 8.150 nan 0.000 0.446 343 Y N -1.138 119.057 120.300 -0.174 0.000 2.176 343 Y HA -0.100 4.454 4.550 0.006 0.000 0.291 343 Y C 2.437 178.282 175.900 -0.092 0.000 1.122 343 Y CA 1.457 59.499 58.100 -0.097 0.000 1.128 343 Y CB -1.028 37.406 38.460 -0.045 0.000 1.005 343 Y HN 0.588 nan 8.280 nan 0.000 0.509 344 H N -0.104 118.961 119.070 -0.008 0.000 2.387 344 H HA -0.178 4.387 4.556 0.014 0.000 0.299 344 H C 1.878 177.120 175.328 -0.143 0.000 1.099 344 H CA 2.103 58.107 56.048 -0.072 0.000 1.315 344 H CB -0.281 29.437 29.762 -0.074 0.000 1.380 344 H HN 0.388 nan 8.280 nan 0.000 0.513 345 D N -0.441 119.792 120.400 -0.278 0.000 2.084 345 D HA -0.141 4.502 4.640 0.004 0.000 0.194 345 D C 2.289 178.469 176.300 -0.199 0.000 0.990 345 D CA 1.679 55.481 54.000 -0.331 0.000 0.826 345 D CB -0.458 39.967 40.800 -0.625 0.000 0.971 345 D HN 0.475 nan 8.370 nan 0.000 0.453 346 A N -0.161 122.556 122.820 -0.172 0.000 1.940 346 A HA -0.247 4.076 4.320 0.004 0.000 0.219 346 A C 2.188 179.759 177.584 -0.021 0.000 1.176 346 A CA 1.830 53.823 52.037 -0.073 0.000 0.631 346 A CB -0.754 18.184 19.000 -0.103 0.000 0.814 346 A HN 0.402 nan 8.150 nan 0.000 0.446 347 Q N -0.468 119.279 119.800 -0.089 0.000 2.172 347 Q HA 0.010 4.353 4.340 0.004 0.000 0.200 347 Q C 1.971 177.901 176.000 -0.117 0.000 0.964 347 Q CA 1.121 56.868 55.803 -0.093 0.000 0.855 347 Q CB -0.309 28.367 28.738 -0.103 0.000 0.918 347 Q HN 0.691 nan 8.270 nan 0.000 0.444 348 L N -0.639 120.475 121.223 -0.183 0.000 2.079 348 L HA -0.226 4.117 4.340 0.004 0.000 0.210 348 L C 2.283 179.142 176.870 -0.019 0.000 1.081 348 L CA 1.344 56.096 54.840 -0.146 0.000 0.752 348 L CB -0.455 41.493 42.059 -0.185 0.000 0.896 348 L HN 0.301 nan 8.230 nan 0.000 0.433 349 Y N 0.474 120.712 120.300 -0.102 0.000 2.231 349 Y HA -0.146 4.408 4.550 0.007 0.000 0.294 349 Y C 2.866 178.740 175.900 -0.044 0.000 1.120 349 Y CA 1.293 59.358 58.100 -0.060 0.000 1.141 349 Y CB -0.161 38.268 38.460 -0.051 0.000 1.022 349 Y HN -0.073 nan 8.280 nan 0.000 0.523 350 R N -0.467 120.003 120.500 -0.050 0.000 2.073 350 R HA -0.112 4.231 4.340 0.004 0.000 0.234 350 R C 1.590 177.799 176.300 -0.151 0.000 1.134 350 R CA 2.322 58.339 56.100 -0.139 0.000 0.952 350 R CB -0.307 29.986 30.300 -0.013 0.000 0.850 350 R HN 0.356 nan 8.270 nan 0.000 0.433 351 V N -1.573 118.282 119.914 -0.098 0.000 2.908 351 V HA 0.394 4.516 4.120 0.004 0.000 0.240 351 V C 0.802 176.875 176.094 -0.036 0.000 1.117 351 V CA 0.713 62.975 62.300 -0.063 0.000 1.133 351 V CB 0.775 32.560 31.823 -0.064 0.000 0.857 351 V HN 0.679 nan 8.190 nan 0.000 0.478 352 G N -0.933 107.837 108.800 -0.049 0.000 2.351 352 G HA2 0.365 4.327 3.960 0.004 0.000 0.353 352 G HA3 0.365 4.327 3.960 0.004 0.000 0.353 352 G C 0.277 175.143 174.900 -0.057 0.000 1.358 352 G CA -0.050 45.033 45.100 -0.028 0.000 0.995 352 G HN 0.433 nan 8.290 nan 0.000 0.611 353 A N -0.864 121.908 122.820 -0.081 0.000 2.015 353 A HA 0.102 4.425 4.320 0.004 0.000 0.219 353 A C 1.335 178.743 177.584 -0.293 0.000 1.163 353 A CA 1.887 53.804 52.037 -0.201 0.000 0.646 353 A CB -0.379 18.468 19.000 -0.255 0.000 0.806 353 A HN 0.716 nan 8.150 nan 0.000 0.448 354 H N -0.657 118.445 119.070 0.054 0.000 2.550 354 H HA 0.174 4.732 4.556 0.004 0.000 0.304 354 H C 1.659 177.040 175.328 0.090 0.000 1.086 354 H CA 0.453 56.567 56.048 0.110 0.000 1.089 354 H CB 0.116 30.009 29.762 0.218 0.000 1.528 354 H HN 0.269 nan 8.280 nan 0.000 0.539 355 V N 1.110 121.073 119.914 0.083 0.000 2.380 355 V HA -0.284 3.838 4.120 0.004 0.000 0.251 355 V C 1.415 177.537 176.094 0.047 0.000 1.063 355 V CA 1.937 64.259 62.300 0.037 0.000 1.055 355 V CB 0.012 31.814 31.823 -0.035 0.000 0.657 355 V HN 0.415 nan 8.190 nan 0.000 0.455 356 N N -0.368 118.380 118.700 0.080 0.000 2.461 356 N HA 0.017 4.760 4.740 0.004 0.000 0.188 356 N C 1.567 177.127 175.510 0.084 0.000 1.134 356 N CA 0.578 53.669 53.050 0.067 0.000 0.878 356 N CB 0.159 38.695 38.487 0.082 0.000 0.972 356 N HN 0.682 nan 8.380 nan 0.000 0.456 357 Q N -0.135 119.742 119.800 0.128 0.000 2.408 357 Q HA 0.193 4.536 4.340 0.004 0.000 0.205 357 Q C 0.130 176.127 176.000 -0.005 0.000 0.919 357 Q CA -0.043 55.816 55.803 0.093 0.000 0.932 357 Q CB 0.606 29.451 28.738 0.178 0.000 1.058 357 Q HN 0.310 nan 8.270 nan 0.000 0.517 358 L N 1.895 123.110 121.223 -0.013 0.000 2.485 358 L HA -0.008 4.334 4.340 0.004 0.000 0.275 358 L C -1.496 175.334 176.870 -0.066 0.000 1.207 358 L CA -1.208 53.585 54.840 -0.078 0.000 0.855 358 L CB -0.083 41.941 42.059 -0.058 0.000 1.114 358 L HN -0.108 nan 8.230 nan 0.000 0.485 359 P HA -0.224 nan 4.420 nan 0.000 0.216 359 P C 1.673 178.958 177.300 -0.024 0.000 1.157 359 P CA 0.998 64.055 63.100 -0.071 0.000 0.880 359 P CB 0.208 31.853 31.700 -0.091 0.000 0.791 360 V N -0.370 119.544 119.914 -0.001 0.000 2.626 360 V HA -0.143 3.979 4.120 0.004 0.000 0.252 360 V C 1.409 177.560 176.094 0.095 0.000 1.067 360 V CA 1.900 64.246 62.300 0.076 0.000 1.081 360 V CB -0.919 30.934 31.823 0.050 0.000 0.686 360 V HN 0.114 nan 8.190 nan 0.000 0.468 361 N N -0.145 118.555 118.700 0.000 0.000 2.280 361 N HA 0.108 4.850 4.740 0.004 0.000 0.192 361 N C 0.639 176.164 175.510 0.026 0.000 1.109 361 N CA 0.082 53.110 53.050 -0.035 0.000 0.855 361 N CB 0.074 38.512 38.487 -0.081 0.000 0.974 361 N HN 0.476 nan 8.380 nan 0.000 0.482 362 R N 1.628 122.164 120.500 0.060 0.000 2.490 362 R HA 0.246 4.589 4.340 0.004 0.000 0.280 362 R C -2.225 174.144 176.300 0.115 0.000 1.077 362 R CA -1.267 54.867 56.100 0.058 0.000 1.065 362 R CB 0.199 30.511 30.300 0.019 0.000 1.003 362 R HN 0.001 nan 8.270 nan 0.000 0.470 363 P HA 0.079 nan 4.420 nan 0.000 0.274 363 P C 0.028 177.382 177.300 0.091 0.000 1.237 363 P CA -0.328 62.837 63.100 0.109 0.000 0.793 363 P CB 0.716 32.450 31.700 0.057 0.000 0.977 364 K N 0.517 120.981 120.400 0.106 0.000 2.097 364 K HA -0.039 4.284 4.320 0.004 0.000 0.205 364 K C 1.016 177.627 176.600 0.018 0.000 1.050 364 K CA 1.056 57.367 56.287 0.040 0.000 0.938 364 K CB -0.425 32.103 32.500 0.048 0.000 0.718 364 K HN 0.625 nan 8.250 nan 0.000 0.442 365 N N 0.972 119.688 118.700 0.026 0.000 2.408 365 N HA 0.091 4.834 4.740 0.004 0.000 0.260 365 N C -0.621 174.895 175.510 0.010 0.000 1.242 365 N CA -0.186 52.870 53.050 0.010 0.000 0.959 365 N CB 0.494 38.985 38.487 0.007 0.000 1.201 365 N HN -0.096 nan 8.380 nan 0.000 0.511 366 A N 0.373 123.196 122.820 0.004 0.000 2.522 366 A HA 0.327 4.649 4.320 0.004 0.000 0.256 366 A C 0.040 177.643 177.584 0.031 0.000 1.086 366 A CA -0.541 51.503 52.037 0.010 0.000 0.763 366 A CB -0.374 18.626 19.000 0.001 0.000 1.024 366 A HN 0.472 nan 8.150 nan 0.000 0.502 367 V N 3.665 123.601 119.914 0.036 0.000 2.439 367 V HA 0.271 4.393 4.120 0.004 0.000 0.282 367 V C -0.036 176.108 176.094 0.084 0.000 1.039 367 V CA -0.076 62.252 62.300 0.047 0.000 0.913 367 V CB 1.059 32.898 31.823 0.027 0.000 0.983 367 V HN 0.954 nan 8.190 nan 0.000 0.460 368 H N 4.555 123.608 119.070 -0.028 0.000 2.716 368 H HA 0.406 4.965 4.556 0.006 0.000 0.260 368 H C -0.460 174.823 175.328 -0.075 0.000 1.280 368 H CA -0.097 55.917 56.048 -0.057 0.000 1.506 368 H CB 0.379 30.128 29.762 -0.022 0.000 1.514 368 H HN 0.698 nan 8.280 nan 0.000 0.502 369 N N 3.727 122.235 118.700 -0.320 0.000 2.296 369 N HA 0.076 4.818 4.740 0.004 0.000 0.294 369 N C -1.060 174.169 175.510 -0.467 0.000 1.033 369 N CA -0.579 52.335 53.050 -0.226 0.000 0.839 369 N CB 1.161 39.580 38.487 -0.114 0.000 1.395 369 N HN 0.417 nan 8.380 nan 0.000 0.479 370 Y N 2.007 122.180 120.300 -0.212 0.000 2.570 370 Y HA 0.394 4.946 4.550 0.003 0.000 0.336 370 Y C 0.368 176.049 175.900 -0.364 0.000 1.284 370 Y CA -0.121 57.830 58.100 -0.249 0.000 1.761 370 Y CB 0.099 38.575 38.460 0.026 0.000 1.724 370 Y HN 0.468 nan 8.280 nan 0.000 0.455 371 A N 2.307 124.668 122.820 -0.766 0.000 2.517 371 A HA 0.855 5.177 4.320 0.004 0.000 0.297 371 A C -1.540 175.475 177.584 -0.949 0.000 1.050 371 A CA -0.589 51.108 52.037 -0.566 0.000 0.694 371 A CB 1.113 19.967 19.000 -0.243 0.000 1.277 371 A HN 0.329 nan 8.150 nan 0.000 0.400 372 F N 0.478 120.330 119.950 -0.163 0.000 2.645 372 F HA 0.636 5.164 4.527 0.002 0.000 0.310 372 F C 0.503 175.763 175.800 -0.900 0.000 1.102 372 F CA -0.145 57.560 58.000 -0.491 0.000 0.952 372 F CB 1.452 40.337 39.000 -0.192 0.000 1.326 372 F HN 0.938 nan 8.300 nan 0.000 0.456 373 E N 0.372 119.567 120.200 -1.675 0.000 4.014 373 E HA 0.096 4.448 4.350 0.004 0.000 0.209 373 E C 0.089 176.414 176.600 -0.460 0.000 1.457 373 E CA 1.095 56.976 56.400 -0.865 0.000 2.314 373 E CB -1.100 28.433 29.700 -0.279 0.000 2.109 373 E HN 1.644 nan 8.360 nan 0.000 0.486 374 G N 0.103 108.810 108.800 -0.155 0.000 2.746 374 G HA2 -0.200 3.762 3.960 0.004 0.000 0.685 374 G HA3 -0.200 3.762 3.960 0.004 0.000 0.685 374 G C -0.408 174.551 174.900 0.099 0.000 1.350 374 G CA 0.098 45.171 45.100 -0.044 0.000 0.837 374 G HN 0.501 nan 8.290 nan 0.000 0.564 378 Y N 1.017 121.262 120.300 -0.093 0.000 2.243 378 Y HA 0.044 4.595 4.550 0.001 0.000 0.293 378 Y C 1.456 177.193 175.900 -0.270 0.000 1.124 378 Y CA 1.662 59.690 58.100 -0.119 0.000 1.159 378 Y CB 0.396 38.820 38.460 -0.061 0.000 1.008 378 Y HN -0.076 nan 8.280 nan 0.000 0.527 379 D N 0.267 120.542 120.400 -0.208 0.000 2.479 379 D HA 0.111 4.754 4.640 0.004 0.000 0.247 379 D C -0.787 175.115 176.300 -0.663 0.000 1.119 379 D CA -0.171 53.622 54.000 -0.345 0.000 0.922 379 D CB 0.175 40.881 40.800 -0.156 0.000 1.014 379 D HN 0.412 nan 8.370 nan 0.000 0.510 380 H N -1.535 116.956 119.070 -0.966 0.000 2.546 380 H HA 0.299 4.857 4.556 0.003 0.000 0.365 380 H C 0.995 175.981 175.328 -0.571 0.000 1.220 380 H CA -0.462 54.679 56.048 -1.511 0.000 1.386 380 H CB 0.590 29.416 29.762 -1.560 0.000 1.510 380 H HN 0.008 nan 8.280 nan 0.000 0.591 381 T N -1.419 113.103 114.554 -0.053 0.000 3.163 381 T HA 0.369 4.721 4.350 0.004 0.000 0.252 381 T C 1.254 176.087 174.700 0.222 0.000 1.056 381 T CA -0.082 62.128 62.100 0.185 0.000 0.947 381 T CB -0.938 68.208 68.868 0.464 0.000 1.016 381 T HN 1.102 nan 8.240 nan 0.000 0.554 382 G N 3.204 112.225 108.800 0.368 0.000 2.634 382 G HA2 -0.394 3.569 3.960 0.004 0.000 0.309 382 G HA3 -0.394 3.569 3.960 0.004 0.000 0.309 382 G C 0.401 175.387 174.900 0.144 0.000 1.265 382 G CA 0.508 45.758 45.100 0.249 0.000 0.998 382 G HN 0.690 nan 8.290 nan 0.000 0.551 383 D N 1.051 121.513 120.400 0.104 0.000 2.325 383 D HA 0.111 4.754 4.640 0.004 0.000 0.225 383 D C 1.114 177.466 176.300 0.086 0.000 1.096 383 D CA -0.043 54.005 54.000 0.079 0.000 0.844 383 D CB -0.204 40.631 40.800 0.058 0.000 0.925 383 D HN 0.614 nan 8.370 nan 0.000 0.513 384 R N 0.478 121.048 120.500 0.118 0.000 2.698 384 R HA 0.110 4.453 4.340 0.004 0.000 0.266 384 R C 0.069 176.423 176.300 0.089 0.000 1.026 384 R CA 0.057 56.233 56.100 0.126 0.000 1.102 384 R CB 0.429 30.833 30.300 0.173 0.000 0.978 384 R HN 0.038 nan 8.270 nan 0.000 0.436 385 S N 0.883 116.634 115.700 0.084 0.000 2.546 385 S HA -0.045 4.427 4.470 0.004 0.000 0.290 385 S C 1.243 175.883 174.600 0.067 0.000 1.290 385 S CA 0.067 58.271 58.200 0.006 0.000 1.069 385 S CB 0.896 64.007 63.200 -0.149 0.000 0.846 385 S HN 0.741 nan 8.310 nan 0.000 0.495 386 T N 0.148 114.698 114.554 -0.007 0.000 3.122 386 T HA 0.272 4.624 4.350 0.004 0.000 0.250 386 T C -0.101 174.771 174.700 0.286 0.000 1.067 386 T CA -0.137 61.870 62.100 -0.154 0.000 0.966 386 T CB -0.543 68.067 68.868 -0.431 0.000 1.002 386 T HN 0.666 nan 8.240 nan 0.000 0.542 387 Y N -0.622 119.744 120.300 0.110 0.000 2.655 387 Y HA 0.776 5.328 4.550 0.003 0.000 0.336 387 Y C -1.335 174.429 175.900 -0.227 0.000 1.154 387 Y CA -2.189 55.878 58.100 -0.055 0.000 1.055 387 Y CB 1.320 39.725 38.460 -0.092 0.000 1.295 387 Y HN 0.192 nan 8.280 nan 0.000 0.465 388 V N -0.942 118.753 119.914 -0.365 0.000 3.049 388 V HA 0.846 4.969 4.120 0.004 0.000 0.309 388 V C -2.921 172.811 176.094 -0.605 0.000 1.148 388 V CA -2.072 59.742 62.300 -0.811 0.000 0.990 388 V CB 1.139 32.291 31.823 -1.119 0.000 1.039 388 V HN 0.829 nan 8.190 nan 0.000 0.430 389 P HA 0.447 nan 4.420 nan 0.000 0.272 389 P C -1.149 175.726 177.300 -0.708 0.000 1.240 389 P CA 0.000 62.292 63.100 -1.346 0.000 0.791 389 P CB 0.209 31.513 31.700 -0.658 0.000 0.978 390 N N -2.496 115.779 118.700 -0.708 0.000 2.357 390 N HA 0.395 5.138 4.740 0.004 0.000 0.284 390 N C -0.675 174.846 175.510 0.018 0.000 1.236 390 N CA -0.850 52.015 53.050 -0.308 0.000 0.774 390 N CB 1.070 39.176 38.487 -0.636 0.000 1.534 390 N HN 0.006 nan 8.380 nan 0.000 0.478 391 S N -0.208 115.534 115.700 0.071 0.000 2.583 391 S HA 0.209 4.682 4.470 0.004 0.000 0.239 391 S C 0.076 174.737 174.600 0.101 0.000 0.966 391 S CA -0.507 57.760 58.200 0.110 0.000 0.973 391 S CB -0.650 62.611 63.200 0.102 0.000 0.794 391 S HN 0.538 nan 8.310 nan 0.000 0.463 392 N N 0.961 119.717 118.700 0.094 0.000 2.205 392 N HA 0.172 4.914 4.740 0.004 0.000 0.201 392 N C 1.190 176.760 175.510 0.101 0.000 1.128 392 N CA 0.606 53.706 53.050 0.084 0.000 0.867 392 N CB 0.852 39.371 38.487 0.054 0.000 0.996 392 N HN 0.484 nan 8.380 nan 0.000 0.503 393 G N 1.079 109.958 108.800 0.132 0.000 2.136 393 G HA2 -0.204 3.759 3.960 0.004 0.000 0.242 393 G HA3 -0.204 3.759 3.960 0.004 0.000 0.242 393 G C -0.793 174.190 174.900 0.138 0.000 0.989 393 G CA -0.114 45.053 45.100 0.112 0.000 0.682 393 G HN 0.241 nan 8.290 nan 0.000 0.522 394 D N 1.452 121.988 120.400 0.227 0.000 2.412 394 D HA 0.473 5.115 4.640 0.004 0.000 0.224 394 D C 0.974 177.587 176.300 0.521 0.000 1.093 394 D CA 0.549 54.741 54.000 0.320 0.000 0.850 394 D CB 1.354 42.329 40.800 0.291 0.000 1.046 394 D HN 0.493 nan 8.370 nan 0.000 0.507 395 S N 2.052 117.978 115.700 0.376 0.000 2.600 395 S HA 0.567 5.039 4.470 0.004 0.000 0.265 395 S C -0.188 174.802 174.600 0.649 0.000 1.325 395 S CA -0.551 57.779 58.200 0.217 0.000 1.002 395 S CB 0.856 63.985 63.200 -0.118 0.000 0.921 395 S HN 0.629 nan 8.310 nan 0.000 0.554 396 W N -0.882 120.562 121.300 0.240 0.000 2.961 396 W HA 0.762 5.424 4.660 0.004 0.000 0.368 396 W C -1.509 175.076 176.519 0.110 0.000 1.213 396 W CA -0.940 56.539 57.345 0.224 0.000 1.173 396 W CB 0.541 29.996 29.460 -0.009 0.000 1.487 396 W HN 0.558 nan 8.180 nan 0.000 0.585 397 S N 0.844 116.704 115.700 0.267 0.000 2.501 397 S HA 0.416 4.889 4.470 0.004 0.000 0.301 397 S C -1.218 173.499 174.600 0.195 0.000 1.096 397 S CA -0.366 57.904 58.200 0.117 0.000 1.063 397 S CB 1.455 64.724 63.200 0.114 0.000 1.042 397 S HN 0.503 nan 8.310 nan 0.000 0.494 398 D N 1.298 121.755 120.400 0.095 0.000 3.279 398 D HA 0.052 4.694 4.640 0.004 0.000 0.336 398 D C -0.805 175.526 176.300 0.053 0.000 1.512 398 D CA -0.240 53.834 54.000 0.124 0.000 0.754 398 D CB 0.213 41.150 40.800 0.229 0.000 1.278 398 D HN 0.367 nan 8.370 nan 0.000 0.553 399 E N 0.676 120.892 120.200 0.027 0.000 2.376 399 E HA 0.229 4.581 4.350 0.004 0.000 0.266 399 E C 0.488 177.094 176.600 0.010 0.000 1.009 399 E CA 0.296 56.700 56.400 0.007 0.000 0.902 399 E CB 0.822 30.520 29.700 -0.005 0.000 0.972 399 E HN 0.365 nan 8.360 nan 0.000 0.439 400 T N -0.836 113.721 114.554 0.004 0.000 2.912 400 T HA 0.742 5.095 4.350 0.004 0.000 0.288 400 T C 0.530 175.224 174.700 -0.009 0.000 1.030 400 T CA -0.192 61.909 62.100 0.001 0.000 1.020 400 T CB 2.086 70.958 68.868 0.008 0.000 1.056 400 T HN 0.693 nan 8.240 nan 0.000 0.480 401 G N 1.729 110.522 108.800 -0.013 0.000 2.631 401 G HA2 0.084 4.046 3.960 0.004 0.000 0.504 401 G HA3 0.084 4.046 3.960 0.004 0.000 0.504 401 G C -2.780 172.102 174.900 -0.030 0.000 1.306 401 G CA -0.963 44.125 45.100 -0.019 0.000 0.897 401 G HN 0.908 nan 8.290 nan 0.000 0.520 402 P HA 0.407 nan 4.420 nan 0.000 0.265 402 P C 0.674 177.942 177.300 -0.052 0.000 1.193 402 P CA 0.083 63.154 63.100 -0.049 0.000 0.765 402 P CB 0.721 32.396 31.700 -0.042 0.000 0.823 403 V N -0.029 119.844 119.914 -0.068 0.000 3.003 403 V HA 0.175 4.298 4.120 0.004 0.000 0.305 403 V C 1.144 177.202 176.094 -0.059 0.000 1.078 403 V CA -0.204 62.059 62.300 -0.063 0.000 1.083 403 V CB 0.974 32.751 31.823 -0.077 0.000 1.039 403 V HN 0.592 nan 8.190 nan 0.000 0.481 404 D N 1.024 121.396 120.400 -0.046 0.000 2.317 404 D HA -0.111 4.531 4.640 0.004 0.000 0.211 404 D C 0.670 176.951 176.300 -0.031 0.000 0.966 404 D CA 1.114 55.087 54.000 -0.046 0.000 0.876 404 D CB -0.293 40.481 40.800 -0.043 0.000 0.927 404 D HN 0.857 nan 8.370 nan 0.000 0.519 405 D N -0.396 120.000 120.400 -0.007 0.000 2.892 405 D HA 0.325 4.968 4.640 0.004 0.000 0.291 405 D C 0.610 176.955 176.300 0.076 0.000 1.341 405 D CA -0.793 53.247 54.000 0.067 0.000 0.844 405 D CB 0.166 41.025 40.800 0.100 0.000 1.093 405 D HN 0.157 nan 8.370 nan 0.000 0.480 406 G N -0.425 108.365 108.800 -0.016 0.000 3.119 406 G HA2 0.749 4.712 3.960 0.004 0.000 0.206 406 G HA3 0.749 4.712 3.960 0.004 0.000 0.206 406 G C -1.269 173.728 174.900 0.162 0.000 1.313 406 G CA -0.763 44.190 45.100 -0.245 0.000 1.010 406 G HN 0.301 nan 8.290 nan 0.000 0.578 407 W N -2.407 118.993 121.300 0.166 0.000 2.799 407 W HA 0.714 5.375 4.660 0.003 0.000 0.416 407 W C -1.546 175.072 176.519 0.165 0.000 1.108 407 W CA -0.964 56.543 57.345 0.270 0.000 1.169 407 W CB 0.527 30.223 29.460 0.393 0.000 1.471 407 W HN 0.515 nan 8.180 nan 0.000 0.586 408 E N 1.190 121.665 120.200 0.458 0.000 2.227 408 E HA 0.819 5.171 4.350 0.004 0.000 0.268 408 E C -0.589 176.175 176.600 0.273 0.000 0.990 408 E CA -0.663 55.889 56.400 0.254 0.000 0.856 408 E CB 1.755 31.578 29.700 0.205 0.000 1.159 408 E HN 0.809 nan 8.360 nan 0.000 0.401 409 A N 1.187 124.098 122.820 0.152 0.000 2.606 409 A HA 0.726 5.048 4.320 0.004 0.000 0.293 409 A C -1.762 175.866 177.584 0.073 0.000 1.082 409 A CA -0.802 51.309 52.037 0.123 0.000 0.685 409 A CB 1.346 20.424 19.000 0.129 0.000 1.284 409 A HN 0.749 nan 8.150 nan 0.000 0.408 410 D N -0.832 119.603 120.400 0.058 0.000 2.871 410 D HA 0.615 5.258 4.640 0.004 0.000 0.209 410 D C -0.352 175.967 176.300 0.033 0.000 1.292 410 D CA 0.329 54.353 54.000 0.041 0.000 0.869 410 D CB 1.221 42.045 40.800 0.040 0.000 1.663 410 D HN 1.664 nan 8.370 nan 0.000 0.557 411 G N -0.070 108.746 108.800 0.026 0.000 2.324 411 G HA2 0.419 4.382 3.960 0.004 0.000 0.293 411 G HA3 0.419 4.382 3.960 0.004 0.000 0.293 411 G C -1.244 173.667 174.900 0.019 0.000 1.297 411 G CA -0.499 44.614 45.100 0.022 0.000 0.853 411 G HN 0.621 nan 8.290 nan 0.000 0.535 412 T N -0.078 114.486 114.554 0.016 0.000 2.918 412 T HA 0.583 4.936 4.350 0.004 0.000 0.283 412 T C 0.720 175.429 174.700 0.015 0.000 1.001 412 T CA -0.513 61.595 62.100 0.014 0.000 1.041 412 T CB 0.337 69.212 68.868 0.012 0.000 1.028 412 T HN 0.498 nan 8.240 nan 0.000 0.511 413 L N 3.371 124.602 121.223 0.013 0.000 2.462 413 L HA 0.367 4.710 4.340 0.004 0.000 0.272 413 L C 0.748 177.627 176.870 0.014 0.000 1.166 413 L CA 0.006 54.854 54.840 0.014 0.000 0.880 413 L CB 0.662 42.727 42.059 0.011 0.000 1.142 413 L HN 0.644 nan 8.230 nan 0.000 0.473 414 T N 3.721 118.285 114.554 0.017 0.000 2.843 414 T HA 0.494 4.846 4.350 0.004 0.000 0.302 414 T C -0.888 173.824 174.700 0.020 0.000 1.232 414 T CA -0.795 61.315 62.100 0.017 0.000 1.009 414 T CB 1.396 70.274 68.868 0.016 0.000 1.254 414 T HN 0.603 nan 8.240 nan 0.000 0.504 415 R N 2.798 123.310 120.500 0.021 0.000 2.358 415 R HA 0.517 4.860 4.340 0.004 0.000 0.309 415 R C -0.627 175.687 176.300 0.024 0.000 1.026 415 R CA -0.633 55.482 56.100 0.026 0.000 0.909 415 R CB 1.050 31.367 30.300 0.028 0.000 1.153 415 R HN 0.793 nan 8.270 nan 0.000 0.515 416 E N 1.286 121.501 120.200 0.025 0.000 2.423 416 E HA 0.546 4.899 4.350 0.004 0.000 0.280 416 E C -1.368 175.246 176.600 0.023 0.000 1.030 416 E CA -1.174 55.239 56.400 0.021 0.000 0.812 416 E CB 1.099 30.809 29.700 0.016 0.000 1.313 416 E HN 0.345 nan 8.360 nan 0.000 0.456 417 A N 1.508 124.339 122.820 0.019 0.000 2.483 417 A HA 0.176 4.498 4.320 0.004 0.000 0.238 417 A C -0.066 177.527 177.584 0.015 0.000 1.070 417 A CA -0.103 51.945 52.037 0.018 0.000 0.770 417 A CB -0.019 18.988 19.000 0.011 0.000 1.008 417 A HN 0.532 nan 8.150 nan 0.000 0.497 418 Q N 0.534 120.344 119.800 0.017 0.000 2.349 418 Q HA 0.376 4.719 4.340 0.004 0.000 0.287 418 Q C 0.538 176.543 176.000 0.008 0.000 1.044 418 Q CA 0.905 56.717 55.803 0.014 0.000 0.918 418 Q CB 0.346 29.096 28.738 0.020 0.000 1.242 418 Q HN 0.892 nan 8.270 nan 0.000 0.405 419 A N 2.968 125.792 122.820 0.007 0.000 2.462 419 A HA 0.256 4.579 4.320 0.004 0.000 0.243 419 A C -0.453 177.129 177.584 -0.004 0.000 1.076 419 A CA -0.418 51.620 52.037 0.001 0.000 0.773 419 A CB 0.038 19.038 19.000 0.001 0.000 1.010 419 A HN 0.694 nan 8.150 nan 0.000 0.493 420 L N 3.502 124.718 121.223 -0.011 0.000 2.367 420 L HA 0.223 4.566 4.340 0.004 0.000 0.275 420 L C 0.903 177.752 176.870 -0.034 0.000 1.129 420 L CA -0.670 54.159 54.840 -0.020 0.000 0.839 420 L CB 0.172 42.218 42.059 -0.022 0.000 1.133 420 L HN 0.751 nan 8.230 nan 0.000 0.453 421 R N 2.088 122.560 120.500 -0.047 0.000 2.668 421 R HA 0.240 4.583 4.340 0.004 0.000 0.268 421 R C 1.144 177.373 176.300 -0.118 0.000 1.232 421 R CA 0.201 56.250 56.100 -0.086 0.000 1.166 421 R CB 0.021 30.251 30.300 -0.116 0.000 1.179 421 R HN 0.763 nan 8.270 nan 0.000 0.606 422 A N 0.529 123.247 122.820 -0.170 0.000 1.908 422 A HA -0.156 4.166 4.320 0.004 0.000 0.218 422 A C 0.778 178.243 177.584 -0.198 0.000 1.181 422 A CA 1.773 53.706 52.037 -0.173 0.000 0.627 422 A CB -0.158 18.724 19.000 -0.197 0.000 0.818 422 A HN 0.574 nan 8.150 nan 0.000 0.445 423 D N 0.229 120.442 120.400 -0.312 0.000 2.424 423 D HA 0.134 4.777 4.640 0.004 0.000 0.220 423 D C -0.788 175.471 176.300 -0.067 0.000 1.150 423 D CA -0.168 53.648 54.000 -0.306 0.000 0.831 423 D CB 0.053 40.419 40.800 -0.724 0.000 0.981 423 D HN 0.261 nan 8.370 nan 0.000 0.500 424 D N 2.022 122.409 120.400 -0.022 0.000 2.351 424 D HA 0.182 4.825 4.640 0.004 0.000 0.251 424 D C 0.515 176.826 176.300 0.017 0.000 1.137 424 D CA 0.469 54.504 54.000 0.059 0.000 0.879 424 D CB 1.308 42.117 40.800 0.016 0.000 1.181 424 D HN 0.179 nan 8.370 nan 0.000 0.448 425 D N 0.443 120.847 120.400 0.007 0.000 2.838 425 D HA 0.087 4.729 4.640 0.004 0.000 0.334 425 D C -0.348 175.879 176.300 -0.121 0.000 1.315 425 D CA -0.373 53.608 54.000 -0.032 0.000 0.917 425 D CB 0.719 41.525 40.800 0.010 0.000 1.435 425 D HN -0.031 nan 8.370 nan 0.000 0.517 426 D N -1.073 119.192 120.400 -0.225 0.000 2.327 426 D HA 0.176 4.818 4.640 0.004 0.000 0.205 426 D C 0.911 176.764 176.300 -0.746 0.000 0.989 426 D CA 0.659 54.333 54.000 -0.544 0.000 0.873 426 D CB 0.239 40.541 40.800 -0.830 0.000 0.955 426 D HN 0.287 nan 8.370 nan 0.000 0.515 427 F N -0.361 119.486 119.950 -0.172 0.000 2.740 427 F HA 0.269 4.799 4.527 0.005 0.000 0.304 427 F C 2.338 178.024 175.800 -0.190 0.000 1.098 427 F CA -0.205 57.671 58.000 -0.207 0.000 1.258 427 F CB 0.026 38.909 39.000 -0.195 0.000 1.061 427 F HN -0.099 nan 8.300 nan 0.000 0.598 428 G N 0.180 108.967 108.800 -0.021 0.000 2.459 428 G HA2 -0.233 3.730 3.960 0.004 0.000 0.217 428 G HA3 -0.233 3.730 3.960 0.004 0.000 0.217 428 G C 1.478 176.272 174.900 -0.175 0.000 1.183 428 G CA 0.809 45.874 45.100 -0.059 0.000 0.776 428 G HN 0.307 nan 8.290 nan 0.000 0.552 429 Q N 0.066 119.654 119.800 -0.353 0.000 2.172 429 Q HA 0.092 4.435 4.340 0.004 0.000 0.200 429 Q C 3.031 178.654 176.000 -0.628 0.000 0.964 429 Q CA 0.835 56.276 55.803 -0.604 0.000 0.855 429 Q CB -0.196 27.936 28.738 -1.010 0.000 0.918 429 Q HN 0.479 nan 8.270 nan 0.000 0.444 430 A N 1.150 123.669 122.820 -0.502 0.000 1.883 430 A HA -0.157 4.166 4.320 0.004 0.000 0.217 430 A C 2.292 179.784 177.584 -0.153 0.000 1.186 430 A CA 1.787 53.704 52.037 -0.201 0.000 0.624 430 A CB -1.289 17.679 19.000 -0.054 0.000 0.822 430 A HN 0.479 nan 8.150 nan 0.000 0.444 431 G N -1.240 107.489 108.800 -0.118 0.000 2.440 431 G HA2 -0.180 3.783 3.960 0.004 0.000 0.218 431 G HA3 -0.180 3.783 3.960 0.004 0.000 0.218 431 G C 1.581 176.393 174.900 -0.147 0.000 1.154 431 G CA 1.700 46.745 45.100 -0.091 0.000 0.767 431 G HN 0.439 nan 8.290 nan 0.000 0.552 432 T N 1.079 115.533 114.554 -0.167 0.000 2.708 432 T HA -0.137 4.216 4.350 0.004 0.000 0.266 432 T C 2.242 176.809 174.700 -0.221 0.000 1.037 432 T CA 1.222 63.225 62.100 -0.161 0.000 1.146 432 T CB -0.282 68.500 68.868 -0.144 0.000 0.865 432 T HN 0.132 nan 8.240 nan 0.000 0.435 433 L N 1.307 122.360 121.223 -0.283 0.000 1.989 433 L HA -0.070 4.272 4.340 0.004 0.000 0.211 433 L C 2.461 178.843 176.870 -0.812 0.000 1.071 433 L CA 1.655 56.238 54.840 -0.429 0.000 0.749 433 L CB -0.874 40.990 42.059 -0.325 0.000 0.890 433 L HN 0.085 nan 8.230 nan 0.000 0.431 434 V N -0.263 119.211 119.914 -0.734 0.000 2.358 434 V HA -0.240 3.882 4.120 0.004 0.000 0.246 434 V C 2.735 178.624 176.094 -0.343 0.000 1.047 434 V CA 2.080 63.935 62.300 -0.743 0.000 1.035 434 V CB -0.566 31.020 31.823 -0.393 0.000 0.658 434 V HN 0.451 nan 8.190 nan 0.000 0.452 435 R N -0.698 119.669 120.500 -0.221 0.000 2.100 435 R HA -0.015 4.328 4.340 0.004 0.000 0.220 435 R C 2.100 178.353 176.300 -0.078 0.000 1.091 435 R CA 0.995 57.032 56.100 -0.105 0.000 0.986 435 R CB 0.030 30.283 30.300 -0.078 0.000 0.888 435 R HN 0.477 nan 8.270 nan 0.000 0.444 436 E N -0.529 119.607 120.200 -0.106 0.000 2.364 436 E HA 0.040 4.392 4.350 0.004 0.000 0.203 436 E C 1.969 178.542 176.600 -0.044 0.000 0.888 436 E CA 0.469 56.831 56.400 -0.062 0.000 0.989 436 E CB 0.333 29.997 29.700 -0.061 0.000 0.985 436 E HN 0.036 nan 8.360 nan 0.000 0.499 437 V N 1.161 121.025 119.914 -0.083 0.000 2.492 437 V HA 0.027 4.150 4.120 0.004 0.000 0.241 437 V C 0.834 177.002 176.094 0.123 0.000 1.041 437 V CA 0.558 62.851 62.300 -0.012 0.000 1.057 437 V CB -0.191 31.605 31.823 -0.046 0.000 0.711 437 V HN 0.024 nan 8.190 nan 0.000 0.468 438 F N 2.196 122.107 119.950 -0.065 0.000 2.553 438 F HA 0.268 4.797 4.527 0.004 0.000 0.356 438 F C 1.215 176.984 175.800 -0.052 0.000 1.142 438 F CA -0.612 57.343 58.000 -0.074 0.000 1.322 438 F CB 0.090 39.013 39.000 -0.128 0.000 1.126 438 F HN 0.164 nan 8.300 nan 0.000 0.599 439 S N 1.057 116.838 115.700 0.135 0.000 2.655 439 S HA 0.157 4.629 4.470 0.004 0.000 0.265 439 S C 0.830 175.458 174.600 0.048 0.000 1.240 439 S CA -0.651 57.584 58.200 0.060 0.000 0.986 439 S CB 0.912 64.124 63.200 0.019 0.000 0.985 439 S HN 0.508 nan 8.310 nan 0.000 0.562 440 D N 0.403 120.820 120.400 0.029 0.000 2.104 440 D HA -0.116 4.527 4.640 0.004 0.000 0.194 440 D C 1.927 178.231 176.300 0.007 0.000 0.994 440 D CA 1.741 55.754 54.000 0.022 0.000 0.830 440 D CB -0.425 40.384 40.800 0.014 0.000 0.959 440 D HN 0.717 nan 8.370 nan 0.000 0.452 441 Q N 0.874 120.669 119.800 -0.008 0.000 2.119 441 Q HA -0.106 4.236 4.340 0.004 0.000 0.201 441 Q C 1.721 177.687 176.000 -0.055 0.000 0.972 441 Q CA 1.369 57.159 55.803 -0.023 0.000 0.847 441 Q CB -0.059 28.666 28.738 -0.021 0.000 0.903 441 Q HN 0.317 nan 8.270 nan 0.000 0.433 442 E N -0.335 119.806 120.200 -0.098 0.000 2.110 442 E HA -0.187 4.165 4.350 0.004 0.000 0.193 442 E C 2.137 178.598 176.600 -0.230 0.000 0.988 442 E CA 0.944 57.198 56.400 -0.244 0.000 0.804 442 E CB -0.085 29.363 29.700 -0.421 0.000 0.745 442 E HN 0.283 nan 8.360 nan 0.000 0.458 443 R N 0.680 121.140 120.500 -0.066 0.000 2.075 443 R HA -0.135 4.208 4.340 0.004 0.000 0.232 443 R C 1.830 178.183 176.300 0.089 0.000 1.126 443 R CA 1.443 57.582 56.100 0.066 0.000 0.963 443 R CB -0.069 30.291 30.300 0.100 0.000 0.858 443 R HN 0.148 nan 8.270 nan 0.000 0.435 444 D N 0.562 120.981 120.400 0.033 0.000 2.084 444 D HA -0.150 4.493 4.640 0.004 0.000 0.194 444 D C 1.460 177.769 176.300 0.016 0.000 0.990 444 D CA 1.321 55.335 54.000 0.022 0.000 0.826 444 D CB -0.396 40.405 40.800 0.001 0.000 0.971 444 D HN 0.106 nan 8.370 nan 0.000 0.453 445 D N -0.381 120.015 120.400 -0.007 0.000 2.149 445 D HA -0.144 4.499 4.640 0.004 0.000 0.198 445 D C 1.807 178.106 176.300 -0.002 0.000 0.990 445 D CA 0.366 54.352 54.000 -0.022 0.000 0.839 445 D CB -0.484 40.284 40.800 -0.053 0.000 0.948 445 D HN 0.202 nan 8.370 nan 0.000 0.460 446 F N 0.937 120.800 119.950 -0.146 0.000 2.134 446 F HA -0.214 4.316 4.527 0.004 0.000 0.299 446 F C 2.134 177.863 175.800 -0.118 0.000 1.097 446 F CA 0.998 58.921 58.000 -0.128 0.000 1.264 446 F CB -0.019 38.928 39.000 -0.088 0.000 1.001 446 F HN -0.198 nan 8.300 nan 0.000 0.479 447 V N 0.361 120.305 119.914 0.051 0.000 2.343 447 V HA -0.237 3.885 4.120 0.004 0.000 0.247 447 V C 2.351 178.361 176.094 -0.140 0.000 1.051 447 V CA 1.967 64.223 62.300 -0.073 0.000 1.036 447 V CB -0.609 31.221 31.823 0.011 0.000 0.654 447 V HN 0.286 nan 8.190 nan 0.000 0.451 448 E N 0.127 120.271 120.200 -0.093 0.000 2.072 448 E HA -0.149 4.204 4.350 0.004 0.000 0.191 448 E C 2.339 178.870 176.600 -0.114 0.000 0.985 448 E CA 1.750 58.097 56.400 -0.088 0.000 0.801 448 E CB -0.676 28.989 29.700 -0.057 0.000 0.750 448 E HN 0.592 nan 8.360 nan 0.000 0.452 449 T N 1.397 115.865 114.554 -0.143 0.000 2.622 449 T HA -0.116 4.237 4.350 0.004 0.000 0.266 449 T C 2.178 176.776 174.700 -0.171 0.000 1.047 449 T CA 1.668 63.680 62.100 -0.146 0.000 1.159 449 T CB -0.374 68.394 68.868 -0.166 0.000 0.863 449 T HN -0.025 nan 8.240 nan 0.000 0.422 450 V N 1.696 121.395 119.914 -0.358 0.000 2.358 450 V HA -0.131 3.992 4.120 0.004 0.000 0.246 450 V C 2.885 178.857 176.094 -0.203 0.000 1.047 450 V CA 1.593 63.689 62.300 -0.340 0.000 1.035 450 V CB -1.258 30.067 31.823 -0.829 0.000 0.658 450 V HN 0.535 nan 8.190 nan 0.000 0.452 451 A N 0.682 123.379 122.820 -0.204 0.000 1.902 451 A HA -0.087 4.235 4.320 0.004 0.000 0.217 451 A C 2.434 179.962 177.584 -0.093 0.000 1.181 451 A CA 1.949 53.909 52.037 -0.128 0.000 0.623 451 A CB -1.256 17.677 19.000 -0.111 0.000 0.818 451 A HN 0.518 nan 8.150 nan 0.000 0.443 452 G N -0.386 108.366 108.800 -0.081 0.000 2.446 452 G HA2 -0.038 3.925 3.960 0.004 0.000 0.217 452 G HA3 -0.038 3.925 3.960 0.004 0.000 0.217 452 G C 1.729 176.632 174.900 0.005 0.000 1.168 452 G CA 1.489 46.556 45.100 -0.055 0.000 0.771 452 G HN 0.871 nan 8.290 nan 0.000 0.551 453 A N 0.044 122.915 122.820 0.085 0.000 2.070 453 A HA 0.195 4.517 4.320 0.004 0.000 0.220 453 A C 2.261 180.042 177.584 0.329 0.000 1.159 453 A CA 0.951 53.150 52.037 0.271 0.000 0.656 453 A CB -0.236 19.064 19.000 0.500 0.000 0.800 453 A HN 0.375 nan 8.150 nan 0.000 0.453 454 L N -1.027 120.225 121.223 0.048 0.000 2.567 454 L HA 0.092 4.434 4.340 0.004 0.000 0.225 454 L C 1.047 177.871 176.870 -0.076 0.000 1.119 454 L CA -0.041 54.706 54.840 -0.156 0.000 0.871 454 L CB -0.062 41.803 42.059 -0.325 0.000 1.036 454 L HN 0.229 nan 8.230 nan 0.000 0.459 455 K N 0.654 121.022 120.400 -0.052 0.000 2.447 455 K HA 0.165 4.487 4.320 0.004 0.000 0.281 455 K C 1.123 177.715 176.600 -0.013 0.000 1.031 455 K CA 0.885 57.119 56.287 -0.088 0.000 1.019 455 K CB 0.376 32.772 32.500 -0.173 0.000 0.918 455 K HN 0.193 nan 8.250 nan 0.000 0.476 456 G N 2.097 110.918 108.800 0.034 0.000 2.184 456 G HA2 -0.250 3.713 3.960 0.004 0.000 0.264 456 G HA3 -0.250 3.713 3.960 0.004 0.000 0.264 456 G C 0.109 175.030 174.900 0.035 0.000 0.975 456 G CA 0.183 45.320 45.100 0.063 0.000 0.642 456 G HN 0.513 nan 8.290 nan 0.000 0.536 457 V N 1.142 121.063 119.914 0.012 0.000 2.811 457 V HA 0.307 4.430 4.120 0.004 0.000 0.302 457 V C 1.496 177.580 176.094 -0.018 0.000 1.063 457 V CA -0.290 62.013 62.300 0.004 0.000 1.088 457 V CB 1.343 33.146 31.823 -0.034 0.000 0.982 457 V HN 0.511 nan 8.190 nan 0.000 0.485 458 R N 2.304 122.798 120.500 -0.009 0.000 2.522 458 R HA -0.007 4.336 4.340 0.004 0.000 0.284 458 R C 1.394 177.666 176.300 -0.046 0.000 1.032 458 R CA 0.276 56.367 56.100 -0.016 0.000 1.049 458 R CB 0.219 30.515 30.300 -0.006 0.000 0.956 458 R HN 0.830 nan 8.270 nan 0.000 0.422 459 Q N 2.218 121.998 119.800 -0.035 0.000 2.112 459 Q HA -0.259 4.083 4.340 0.004 0.000 0.206 459 Q C 1.213 177.164 176.000 -0.081 0.000 0.987 459 Q CA 2.318 58.091 55.803 -0.050 0.000 0.858 459 Q CB 0.064 28.796 28.738 -0.010 0.000 0.905 459 Q HN 0.813 nan 8.270 nan 0.000 0.420 460 D N -0.814 119.554 120.400 -0.054 0.000 2.144 460 D HA -0.155 4.487 4.640 0.004 0.000 0.199 460 D C 1.783 178.033 176.300 -0.083 0.000 0.984 460 D CA 1.390 55.359 54.000 -0.052 0.000 0.834 460 D CB -0.484 40.301 40.800 -0.026 0.000 0.955 460 D HN 0.249 nan 8.370 nan 0.000 0.465 461 V N 0.858 120.722 119.914 -0.083 0.000 2.453 461 V HA -0.214 3.909 4.120 0.004 0.000 0.247 461 V C 2.767 178.728 176.094 -0.221 0.000 1.048 461 V CA 1.549 63.796 62.300 -0.088 0.000 1.049 461 V CB -0.681 31.130 31.823 -0.020 0.000 0.672 461 V HN 0.167 nan 8.190 nan 0.000 0.457 462 Q N 0.143 119.750 119.800 -0.322 0.000 2.096 462 Q HA -0.194 4.148 4.340 0.004 0.000 0.204 462 Q C 2.432 177.822 176.000 -1.016 0.000 0.982 462 Q CA 1.854 57.265 55.803 -0.653 0.000 0.850 462 Q CB -0.426 27.974 28.738 -0.565 0.000 0.901 462 Q HN 0.671 nan 8.270 nan 0.000 0.422 463 A N 1.225 123.701 122.820 -0.573 0.000 1.933 463 A HA -0.183 4.140 4.320 0.004 0.000 0.218 463 A C 1.996 179.449 177.584 -0.218 0.000 1.175 463 A CA 1.212 53.032 52.037 -0.360 0.000 0.628 463 A CB -0.341 18.614 19.000 -0.074 0.000 0.814 463 A HN 0.203 nan 8.150 nan 0.000 0.444 464 R N -0.568 119.829 120.500 -0.172 0.000 2.092 464 R HA -0.052 4.290 4.340 0.004 0.000 0.231 464 R C 2.457 178.727 176.300 -0.050 0.000 1.119 464 R CA 1.118 57.182 56.100 -0.060 0.000 0.970 464 R CB -0.434 29.851 30.300 -0.024 0.000 0.864 464 R HN 0.509 nan 8.270 nan 0.000 0.440 465 A N 0.903 123.607 122.820 -0.192 0.000 1.933 465 A HA -0.149 4.174 4.320 0.004 0.000 0.218 465 A C 1.766 179.430 177.584 0.132 0.000 1.175 465 A CA 1.182 53.130 52.037 -0.149 0.000 0.628 465 A CB -0.511 18.243 19.000 -0.410 0.000 0.814 465 A HN 0.158 nan 8.150 nan 0.000 0.444 466 F N 0.236 120.245 119.950 0.098 0.000 2.134 466 F HA -0.116 4.414 4.527 0.005 0.000 0.299 466 F C 2.312 178.186 175.800 0.124 0.000 1.097 466 F CA 1.020 59.102 58.000 0.136 0.000 1.264 466 F CB -1.076 37.961 39.000 0.062 0.000 1.001 466 F HN 0.522 nan 8.300 nan 0.000 0.479 467 E N -0.468 119.879 120.200 0.244 0.000 2.051 467 E HA -0.300 4.052 4.350 0.004 0.000 0.192 467 E C 2.333 178.964 176.600 0.051 0.000 0.991 467 E CA 1.299 57.768 56.400 0.116 0.000 0.799 467 E CB -0.687 29.054 29.700 0.070 0.000 0.748 467 E HN 0.422 nan 8.360 nan 0.000 0.449 468 Y N -0.082 120.172 120.300 -0.077 0.000 2.081 468 Y HA -0.269 4.283 4.550 0.004 0.000 0.280 468 Y C 1.707 177.435 175.900 -0.286 0.000 1.163 468 Y CA 2.414 60.401 58.100 -0.188 0.000 1.135 468 Y CB -0.597 37.755 38.460 -0.180 0.000 0.970 468 Y HN 0.164 nan 8.280 nan 0.000 0.498 469 W N 0.489 122.011 121.300 0.371 0.000 2.436 469 W HA -0.055 4.607 4.660 0.004 0.000 0.284 469 W C 2.359 178.938 176.519 0.100 0.000 1.225 469 W CA 1.115 58.623 57.345 0.273 0.000 1.271 469 W CB -0.137 29.504 29.460 0.302 0.000 1.114 469 W HN -0.099 nan 8.180 nan 0.000 0.559 470 K N 0.166 120.698 120.400 0.220 0.000 2.147 470 K HA -0.144 4.179 4.320 0.004 0.000 0.205 470 K C 1.609 178.157 176.600 -0.086 0.000 1.049 470 K CA 1.218 57.550 56.287 0.074 0.000 0.936 470 K CB -0.304 32.226 32.500 0.051 0.000 0.722 470 K HN 0.077 nan 8.250 nan 0.000 0.446 471 N N 0.523 119.042 118.700 -0.302 0.000 2.244 471 N HA -0.111 4.631 4.740 0.004 0.000 0.183 471 N C 1.771 177.009 175.510 -0.453 0.000 1.016 471 N CA 0.811 53.466 53.050 -0.659 0.000 0.866 471 N CB -0.194 37.320 38.487 -1.621 0.000 0.980 471 N HN -0.050 nan 8.380 nan 0.000 0.430 472 V N 0.078 119.869 119.914 -0.205 0.000 2.261 472 V HA -0.143 3.979 4.120 0.004 0.000 0.246 472 V C 0.437 176.564 176.094 0.055 0.000 1.047 472 V CA 1.471 63.810 62.300 0.065 0.000 1.015 472 V CB -0.315 31.653 31.823 0.242 0.000 0.642 472 V HN 0.308 nan 8.190 nan 0.000 0.446 473 D N -3.291 117.162 120.400 0.088 0.000 2.931 473 D HA 0.527 5.169 4.640 0.004 0.000 0.215 473 D C 0.385 176.728 176.300 0.071 0.000 1.297 473 D CA 0.307 54.343 54.000 0.060 0.000 0.892 473 D CB 1.531 42.371 40.800 0.068 0.000 1.642 473 D HN 0.092 nan 8.370 nan 0.000 0.560 474 A N 2.290 125.127 122.820 0.028 0.000 1.902 474 A HA -0.102 4.220 4.320 0.004 0.000 0.217 474 A C 1.843 179.451 177.584 0.040 0.000 1.181 474 A CA 2.107 54.159 52.037 0.025 0.000 0.623 474 A CB -0.636 18.364 19.000 0.001 0.000 0.818 474 A HN 0.629 nan 8.150 nan 0.000 0.443 475 T N -0.209 114.367 114.554 0.037 0.000 2.732 475 T HA -0.079 4.274 4.350 0.004 0.000 0.261 475 T C 1.837 176.571 174.700 0.057 0.000 1.040 475 T CA 1.382 63.502 62.100 0.034 0.000 1.145 475 T CB -0.331 68.551 68.868 0.024 0.000 0.866 475 T HN 0.295 nan 8.240 nan 0.000 0.427 476 I N 1.667 122.291 120.570 0.090 0.000 2.208 476 I HA -0.089 4.084 4.170 0.004 0.000 0.245 476 I C 2.515 178.724 176.117 0.152 0.000 1.097 476 I CA 1.249 62.631 61.300 0.137 0.000 1.363 476 I CB -0.755 37.362 38.000 0.195 0.000 1.051 476 I HN 0.303 nan 8.210 nan 0.000 0.413 477 G N -1.066 107.849 108.800 0.192 0.000 2.418 477 G HA2 -0.336 3.626 3.960 0.004 0.000 0.217 477 G HA3 -0.336 3.626 3.960 0.004 0.000 0.217 477 G C 1.581 176.533 174.900 0.086 0.000 1.158 477 G CA 0.931 46.169 45.100 0.230 0.000 0.771 477 G HN 0.398 nan 8.290 nan 0.000 0.545 478 Q N 0.282 120.101 119.800 0.031 0.000 2.167 478 Q HA 0.078 4.420 4.340 0.004 0.000 0.202 478 Q C 2.601 178.563 176.000 -0.063 0.000 0.970 478 Q CA 1.117 56.895 55.803 -0.041 0.000 0.855 478 Q CB -0.207 28.514 28.738 -0.030 0.000 0.911 478 Q HN 0.482 nan 8.270 nan 0.000 0.438 479 R N -0.554 119.933 120.500 -0.021 0.000 2.075 479 R HA -0.022 4.320 4.340 0.004 0.000 0.232 479 R C 2.270 178.535 176.300 -0.059 0.000 1.126 479 R CA 1.481 57.563 56.100 -0.030 0.000 0.963 479 R CB -0.310 29.992 30.300 0.005 0.000 0.858 479 R HN 0.318 nan 8.270 nan 0.000 0.435 480 I N 0.569 121.107 120.570 -0.053 0.000 2.142 480 I HA -0.291 3.881 4.170 0.004 0.000 0.240 480 I C 2.600 178.638 176.117 -0.131 0.000 1.078 480 I CA 1.431 62.678 61.300 -0.088 0.000 1.343 480 I CB -0.296 37.643 38.000 -0.100 0.000 1.046 480 I HN 0.274 nan 8.210 nan 0.000 0.405 481 E N 1.071 121.116 120.200 -0.259 0.000 2.058 481 E HA -0.286 4.067 4.350 0.004 0.000 0.194 481 E C 1.726 178.063 176.600 -0.438 0.000 0.997 481 E CA 1.863 57.820 56.400 -0.738 0.000 0.801 481 E CB 0.040 29.164 29.700 -0.959 0.000 0.746 481 E HN 0.381 nan 8.360 nan 0.000 0.450 482 D N 0.332 120.578 120.400 -0.256 0.000 2.116 482 D HA -0.229 4.413 4.640 0.004 0.000 0.193 482 D C 1.833 178.068 176.300 -0.108 0.000 0.998 482 D CA 1.544 55.453 54.000 -0.152 0.000 0.836 482 D CB -0.336 40.404 40.800 -0.099 0.000 0.951 482 D HN 0.380 nan 8.370 nan 0.000 0.449 483 E N 0.149 120.291 120.200 -0.097 0.000 2.106 483 E HA -0.109 4.243 4.350 0.004 0.000 0.192 483 E C 2.033 178.601 176.600 -0.054 0.000 0.984 483 E CA 0.549 56.909 56.400 -0.067 0.000 0.806 483 E CB 0.171 29.831 29.700 -0.067 0.000 0.750 483 E HN 0.005 nan 8.360 nan 0.000 0.458 484 V N 1.351 121.237 119.914 -0.047 0.000 2.358 484 V HA -0.219 3.903 4.120 0.004 0.000 0.246 484 V C 2.100 178.223 176.094 0.049 0.000 1.047 484 V CA 1.894 64.205 62.300 0.018 0.000 1.035 484 V CB -0.343 31.578 31.823 0.164 0.000 0.658 484 V HN 0.233 nan 8.190 nan 0.000 0.452 485 K N -0.200 120.202 120.400 0.004 0.000 2.362 485 K HA -0.056 4.267 4.320 0.004 0.000 0.200 485 K C 2.024 178.646 176.600 0.038 0.000 1.046 485 K CA 0.749 57.052 56.287 0.026 0.000 0.952 485 K CB -0.139 32.339 32.500 -0.036 0.000 0.753 485 K HN 0.389 nan 8.250 nan 0.000 0.466 486 R N -0.108 120.405 120.500 0.023 0.000 2.310 486 R HA 0.012 4.354 4.340 0.004 0.000 0.202 486 R C -0.157 176.207 176.300 0.106 0.000 0.933 486 R CA 0.093 56.218 56.100 0.042 0.000 1.054 486 R CB -0.210 30.096 30.300 0.010 0.000 0.985 486 R HN 0.313 nan 8.270 nan 0.000 0.489 487 H N 0.323 119.392 119.070 -0.002 0.000 2.770 487 H HA -0.162 4.396 4.556 0.004 0.000 0.309 487 H C -0.907 174.418 175.328 -0.005 0.000 1.206 487 H CA 0.758 56.806 56.048 0.000 0.000 1.147 487 H CB -0.898 28.864 29.762 0.001 0.000 1.422 487 H HN 0.417 nan 8.280 nan 0.000 0.420 488 E N -0.936 119.205 120.200 -0.099 0.000 2.299 488 E HA 0.720 5.073 4.350 0.004 0.000 0.260 488 E C 0.517 177.047 176.600 -0.117 0.000 0.944 488 E CA -0.274 56.070 56.400 -0.092 0.000 0.815 488 E CB 2.380 32.056 29.700 -0.041 0.000 1.252 488 E HN 0.492 nan 8.360 nan 0.000 0.418 489 G N 1.064 109.810 108.800 -0.090 0.000 2.340 489 G HA2 -0.037 3.925 3.960 0.004 0.000 0.527 489 G HA3 -0.037 3.925 3.960 0.004 0.000 0.527 489 G C -1.578 173.280 174.900 -0.071 0.000 1.381 489 G CA -1.078 43.972 45.100 -0.083 0.000 1.001 489 G HN 0.412 nan 8.290 nan 0.000 0.626 490 D N -0.001 120.364 120.400 -0.059 0.000 2.372 490 D HA 0.480 5.122 4.640 0.004 0.000 0.243 490 D C 1.201 177.477 176.300 -0.040 0.000 1.121 490 D CA 1.120 55.094 54.000 -0.044 0.000 0.898 490 D CB 0.988 41.766 40.800 -0.037 0.000 1.202 490 D HN 0.821 nan 8.370 nan 0.000 0.428 491 G N 1.214 109.994 108.800 -0.033 0.000 2.365 491 G HA2 0.309 4.271 3.960 0.004 0.000 0.249 491 G HA3 0.309 4.271 3.960 0.004 0.000 0.249 491 G C -0.049 174.834 174.900 -0.028 0.000 1.288 491 G CA -0.451 44.631 45.100 -0.031 0.000 0.887 491 G HN 0.332 nan 8.290 nan 0.000 0.524 492 I N 4.473 125.023 120.570 -0.033 0.000 2.304 492 I HA 0.240 4.413 4.170 0.004 0.000 0.291 492 I C -1.941 174.126 176.117 -0.082 0.000 1.018 492 I CA -3.272 58.008 61.300 -0.034 0.000 1.260 492 I CB 1.209 39.202 38.000 -0.011 0.000 1.390 492 I HN 0.278 nan 8.210 nan 0.000 0.475 493 P HA 0.177 nan 4.420 nan 0.000 0.266 493 P C 0.848 177.928 177.300 -0.367 0.000 1.215 493 P CA 0.567 63.613 63.100 -0.090 0.000 0.763 493 P CB 0.853 32.603 31.700 0.083 0.000 0.806 494 G N 1.377 109.666 108.800 -0.852 0.000 2.218 494 G HA2 -0.130 3.832 3.960 0.004 0.000 0.216 494 G HA3 -0.130 3.832 3.960 0.004 0.000 0.216 494 G C -0.303 173.988 174.900 -1.016 0.000 0.994 494 G CA 0.046 44.065 45.100 -1.803 0.000 0.637 494 G HN 0.760 nan 8.290 nan 0.000 0.505 495 V N 0.652 120.261 119.914 -0.509 0.000 3.225 495 V HA 0.746 4.869 4.120 0.004 0.000 0.293 495 V C -0.990 175.003 176.094 -0.169 0.000 1.405 495 V CA 0.464 62.577 62.300 -0.311 0.000 1.038 495 V CB 2.030 33.708 31.823 -0.242 0.000 1.123 495 V HN 1.090 nan 8.190 nan 0.000 0.447 496 E N 3.886 124.016 120.200 -0.116 0.000 2.408 496 E HA 0.913 5.266 4.350 0.004 0.000 0.266 496 E C -1.012 175.575 176.600 -0.023 0.000 1.025 496 E CA -0.672 55.697 56.400 -0.051 0.000 0.881 496 E CB 2.039 31.710 29.700 -0.048 0.000 1.660 496 E HN 1.274 nan 8.360 nan 0.000 0.458 497 A N -0.338 122.484 122.820 0.003 0.000 2.485 497 A HA 0.912 5.234 4.320 0.004 0.000 0.292 497 A C 0.191 177.785 177.584 0.015 0.000 1.147 497 A CA -0.267 51.780 52.037 0.017 0.000 0.750 497 A CB 1.126 20.153 19.000 0.047 0.000 1.331 497 A HN 1.610 nan 8.150 nan 0.000 0.419 498 G N -1.395 107.414 108.800 0.016 0.000 2.730 498 G HA2 0.597 4.559 3.960 0.004 0.000 0.686 498 G HA3 0.597 4.559 3.960 0.004 0.000 0.686 498 G C 1.033 175.940 174.900 0.011 0.000 1.343 498 G CA 0.479 45.591 45.100 0.020 0.000 0.826 498 G HN 3.137 nan 8.290 nan 0.000 0.582 499 G N -0.739 108.068 108.800 0.011 0.000 2.707 499 G HA2 0.274 4.237 3.960 0.004 0.000 0.686 499 G HA3 0.274 4.237 3.960 0.004 0.000 0.686 499 G C 0.276 175.177 174.900 0.002 0.000 1.315 499 G CA 0.729 45.833 45.100 0.006 0.000 0.832 499 G HN 1.624 nan 8.290 nan 0.000 0.573 500 E N -0.035 120.165 120.200 0.000 0.000 2.478 500 E HA 0.320 4.673 4.350 0.004 0.000 0.198 500 E C 2.286 178.885 176.600 -0.003 0.000 1.046 500 E CA 1.415 57.815 56.400 -0.001 0.000 0.870 500 E CB 0.106 29.805 29.700 -0.001 0.000 0.818 500 E HN 1.060 nan 8.360 nan 0.000 0.527 501 A N 0.283 123.101 122.820 -0.005 0.000 2.430 501 A HA 0.254 4.576 4.320 0.004 0.000 0.243 501 A C 0.590 178.166 177.584 -0.012 0.000 1.254 501 A CA -0.173 51.859 52.037 -0.008 0.000 0.914 501 A CB 0.292 19.288 19.000 -0.007 0.000 0.998 501 A HN -0.044 nan 8.150 nan 0.000 0.515 502 R N -1.135 119.358 120.500 -0.011 0.000 2.930 502 R HA 0.633 4.976 4.340 0.004 0.000 0.257 502 R C -0.532 175.762 176.300 -0.009 0.000 1.107 502 R CA -0.915 55.177 56.100 -0.014 0.000 0.999 502 R CB 1.027 31.319 30.300 -0.013 0.000 1.209 502 R HN 0.225 nan 8.270 nan 0.000 0.486 503 I N 0.000 120.564 120.570 -0.010 0.000 2.984 503 I HA 0.000 4.173 4.170 0.004 0.000 0.288 503 I CA 0.000 61.297 61.300 -0.006 0.000 1.566 503 I CB 0.000 37.996 38.000 -0.006 0.000 1.214 503 I HN 0.000 nan 8.210 nan 0.000 0.494