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 1gwh_1_A DATA FIRST_RESID 6 DATA SEQUENCE TTPHATGSTR QNGAPAVSDR QSLTVGSEGP IVLHDTHLLE THQHFNRMNI DATA SEQUENCE PERRPHAKGS GAFGEFEVTE DVSKYTKALV FQPGTKTETL LRFSTVAGEL DATA SEQUENCE GSPDTWRDVR GFALRFYTEE GNYDLVGNNT PIFFLRDPMK FTHFIRSQKR DATA SEQUENCE LPDSGLRDAT MQWDFWTNNP ESAHQVTYLM 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 MWYDHTGDRS 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 -0.032 0.000 1.109 6 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 6 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 7 T N 3.164 117.699 114.554 -0.032 0.000 2.899 7 T HA 0.534 4.896 4.350 0.021 0.000 0.284 7 T C -1.559 173.079 174.700 -0.103 0.000 1.004 7 T CA -1.414 60.656 62.100 -0.050 0.000 1.043 7 T CB 0.925 69.783 68.868 -0.017 0.000 1.013 7 T HN 0.321 nan 8.240 nan 0.000 0.518 8 P HA -0.076 nan 4.420 nan 0.000 0.217 8 P C 0.442 177.477 177.300 -0.441 0.000 1.148 8 P CA 1.308 64.184 63.100 -0.374 0.000 0.828 8 P CB -0.096 31.242 31.700 -0.602 0.000 0.783 9 H N -2.252 116.812 119.070 -0.010 0.000 2.528 9 H HA 0.492 5.060 4.556 0.021 0.000 0.282 9 H C 0.550 175.868 175.328 -0.016 0.000 1.097 9 H CA -0.584 55.457 56.048 -0.011 0.000 1.121 9 H CB -0.005 29.750 29.762 -0.011 0.000 1.590 9 H HN 0.053 nan 8.280 nan 0.000 0.553 10 A N 1.028 123.867 122.820 0.032 0.000 2.466 10 A HA 0.208 4.540 4.320 0.021 0.000 0.238 10 A C 1.365 178.957 177.584 0.013 0.000 1.074 10 A CA 0.634 52.680 52.037 0.016 0.000 0.774 10 A CB 0.166 19.162 19.000 -0.007 0.000 1.015 10 A HN 0.519 nan 8.150 nan 0.000 0.498 11 T N -2.318 112.237 114.554 0.001 0.000 3.058 11 T HA 0.499 4.862 4.350 0.021 0.000 0.278 11 T C 1.055 175.749 174.700 -0.009 0.000 0.974 11 T CA 0.916 63.013 62.100 -0.005 0.000 0.893 11 T CB 0.356 69.215 68.868 -0.014 0.000 1.138 11 T HN 2.383 nan 8.240 nan 0.000 0.529 12 G N 1.147 109.941 108.800 -0.010 0.000 2.255 12 G HA2 0.034 4.007 3.960 0.021 0.000 0.196 12 G HA3 0.034 4.007 3.960 0.021 0.000 0.196 12 G C 0.132 175.028 174.900 -0.007 0.000 0.998 12 G CA 0.216 45.312 45.100 -0.006 0.000 0.656 12 G HN 1.635 nan 8.290 nan 0.000 0.490 13 S N -1.066 114.622 115.700 -0.020 0.000 2.611 13 S HA 0.827 5.310 4.470 0.021 0.000 0.268 13 S C -0.635 173.933 174.600 -0.052 0.000 1.156 13 S CA 0.670 58.858 58.200 -0.020 0.000 0.817 13 S CB 1.935 65.135 63.200 -0.000 0.000 1.122 13 S HN 1.788 nan 8.310 nan 0.000 0.466 14 T N -0.934 113.595 114.554 -0.042 0.000 2.926 14 T HA 0.725 5.087 4.350 0.021 0.000 0.289 14 T C -0.062 174.601 174.700 -0.061 0.000 1.054 14 T CA -1.056 61.008 62.100 -0.060 0.000 1.015 14 T CB 1.314 70.171 68.868 -0.020 0.000 1.167 14 T HN 0.803 nan 8.240 nan 0.000 0.526 15 R N 0.255 120.717 120.500 -0.063 0.000 2.697 15 R HA 0.271 4.623 4.340 0.021 0.000 0.262 15 R C 1.744 178.075 176.300 0.052 0.000 1.255 15 R CA -0.598 55.527 56.100 0.042 0.000 1.136 15 R CB 0.185 30.512 30.300 0.045 0.000 1.169 15 R HN 0.747 nan 8.270 nan 0.000 0.594 16 Q N 0.849 120.691 119.800 0.069 0.000 2.291 16 Q HA -0.117 4.236 4.340 0.021 0.000 0.205 16 Q C 1.180 177.198 176.000 0.030 0.000 0.970 16 Q CA 1.094 56.922 55.803 0.042 0.000 0.876 16 Q CB -0.027 28.736 28.738 0.041 0.000 0.935 16 Q HN 0.502 nan 8.270 nan 0.000 0.455 17 N N -0.572 118.146 118.700 0.030 0.000 2.398 17 N HA -0.007 4.745 4.740 0.021 0.000 0.188 17 N C 0.985 176.504 175.510 0.016 0.000 1.122 17 N CA 1.037 54.100 53.050 0.022 0.000 0.866 17 N CB 0.607 39.108 38.487 0.023 0.000 0.970 17 N HN 0.251 nan 8.380 nan 0.000 0.462 18 G N -0.898 107.910 108.800 0.012 0.000 2.176 18 G HA2 -0.229 3.743 3.960 0.021 0.000 0.253 18 G HA3 -0.229 3.743 3.960 0.021 0.000 0.253 18 G C 0.252 175.154 174.900 0.002 0.000 0.979 18 G CA 0.249 45.353 45.100 0.007 0.000 0.641 18 G HN 0.830 nan 8.290 nan 0.000 0.530 19 A N 0.815 123.635 122.820 -0.000 0.000 2.371 19 A HA 0.696 5.029 4.320 0.021 0.000 0.257 19 A C -1.633 175.932 177.584 -0.030 0.000 1.089 19 A CA -0.889 51.145 52.037 -0.005 0.000 0.794 19 A CB 0.299 19.296 19.000 -0.004 0.000 1.029 19 A HN 0.155 nan 8.150 nan 0.000 0.488 20 P HA 0.090 nan 4.420 nan 0.000 0.264 20 P C 0.476 177.708 177.300 -0.114 0.000 1.183 20 P CA 0.851 63.922 63.100 -0.049 0.000 0.763 20 P CB 0.791 32.485 31.700 -0.009 0.000 0.807 21 A N 3.170 125.872 122.820 -0.197 0.000 2.072 21 A HA 0.061 4.394 4.320 0.021 0.000 0.216 21 A C 1.405 178.822 177.584 -0.279 0.000 1.156 21 A CA 1.278 53.060 52.037 -0.425 0.000 0.701 21 A CB -0.688 17.859 19.000 -0.755 0.000 0.816 21 A HN 0.426 nan 8.150 nan 0.000 0.458 22 V N -2.003 117.830 119.914 -0.136 0.000 0.473 22 V HA -0.248 3.885 4.120 0.021 0.000 0.092 22 V C 0.735 176.808 176.094 -0.035 0.000 2.433 22 V CA 1.888 64.151 62.300 -0.062 0.000 3.661 22 V CB -1.756 30.041 31.823 -0.044 0.000 0.941 22 V HN 1.047 nan 8.190 nan 0.000 0.987 23 S N -0.812 114.875 115.700 -0.021 0.000 2.572 23 S HA 0.507 4.989 4.470 0.021 0.000 0.274 23 S C -0.455 174.221 174.600 0.127 0.000 1.150 23 S CA -0.108 58.114 58.200 0.037 0.000 0.944 23 S CB 2.001 65.226 63.200 0.040 0.000 1.071 23 S HN 0.411 nan 8.310 nan 0.000 0.479 24 D N 3.107 123.576 120.400 0.114 0.000 2.342 24 D HA 0.236 4.888 4.640 0.021 0.000 0.221 24 D C 1.032 177.373 176.300 0.070 0.000 1.101 24 D CA 0.177 54.265 54.000 0.147 0.000 0.837 24 D CB 0.413 41.285 40.800 0.120 0.000 0.938 24 D HN 0.505 nan 8.370 nan 0.000 0.508 25 R N -0.546 119.986 120.500 0.054 0.000 2.568 25 R HA 0.161 4.513 4.340 0.021 0.000 0.254 25 R C 0.177 176.488 176.300 0.018 0.000 0.925 25 R CA -0.126 55.989 56.100 0.026 0.000 1.025 25 R CB 1.228 31.538 30.300 0.018 0.000 1.428 25 R HN -0.052 nan 8.270 nan 0.000 0.573 26 Q N 0.442 120.257 119.800 0.024 0.000 2.359 26 Q HA 0.414 4.766 4.340 0.021 0.000 0.274 26 Q C -0.952 175.056 176.000 0.012 0.000 1.074 26 Q CA -0.400 55.410 55.803 0.010 0.000 0.810 26 Q CB 2.642 31.383 28.738 0.005 0.000 1.342 26 Q HN -0.093 nan 8.270 nan 0.000 0.427 27 S N 0.905 116.601 115.700 -0.007 0.000 2.669 27 S HA 0.424 4.907 4.470 0.021 0.000 0.270 27 S C -0.150 174.431 174.600 -0.033 0.000 1.225 27 S CA -0.658 57.529 58.200 -0.021 0.000 0.991 27 S CB 0.538 63.711 63.200 -0.044 0.000 0.987 27 S HN 0.437 nan 8.310 nan 0.000 0.552 28 L N 3.203 124.392 121.223 -0.057 0.000 2.283 28 L HA 0.421 4.773 4.340 0.021 0.000 0.287 28 L C 0.247 177.067 176.870 -0.083 0.000 1.073 28 L CA 0.388 55.180 54.840 -0.080 0.000 0.822 28 L CB -0.153 41.820 42.059 -0.142 0.000 1.186 28 L HN 0.846 nan 8.230 nan 0.000 0.436 29 T N 1.226 115.748 114.554 -0.054 0.000 2.930 29 T HA 0.571 4.933 4.350 0.021 0.000 0.290 29 T C -0.360 174.326 174.700 -0.024 0.000 1.052 29 T CA -0.884 61.192 62.100 -0.040 0.000 1.017 29 T CB 1.435 70.285 68.868 -0.029 0.000 1.137 29 T HN 0.141 nan 8.240 nan 0.000 0.511 30 V N 2.484 122.391 119.914 -0.013 0.000 2.326 30 V HA 0.566 4.699 4.120 0.021 0.000 0.249 30 V C 1.327 177.420 176.094 -0.002 0.000 1.114 30 V CA 0.740 63.039 62.300 -0.000 0.000 1.028 30 V CB -0.925 30.901 31.823 0.006 0.000 1.170 30 V HN 1.500 nan 8.190 nan 0.000 0.494 31 G N 4.567 113.366 108.800 -0.002 0.000 2.860 31 G HA2 -0.203 3.769 3.960 0.021 0.000 0.553 31 G HA3 -0.203 3.769 3.960 0.021 0.000 0.553 31 G C 0.851 175.747 174.900 -0.006 0.000 1.439 31 G CA 0.010 45.109 45.100 -0.003 0.000 0.879 31 G HN 1.186 nan 8.290 nan 0.000 0.545 32 S N -0.882 114.815 115.700 -0.005 0.000 2.399 32 S HA -0.066 4.417 4.470 0.021 0.000 0.231 32 S C 1.452 176.048 174.600 -0.008 0.000 1.022 32 S CA 2.042 60.238 58.200 -0.007 0.000 0.983 32 S CB -0.005 63.192 63.200 -0.005 0.000 0.803 32 S HN 0.681 nan 8.310 nan 0.000 0.480 33 E N 1.393 121.589 120.200 -0.007 0.000 2.474 33 E HA 0.320 4.682 4.350 0.021 0.000 0.195 33 E C 0.977 177.572 176.600 -0.008 0.000 1.039 33 E CA 0.318 56.714 56.400 -0.007 0.000 0.881 33 E CB 0.091 29.788 29.700 -0.005 0.000 0.970 33 E HN 0.604 nan 8.360 nan 0.000 0.486 34 G N 2.550 111.345 108.800 -0.009 0.000 2.535 34 G HA2 0.419 4.391 3.960 0.021 0.000 0.303 34 G HA3 0.419 4.391 3.960 0.021 0.000 0.303 34 G C -2.353 172.539 174.900 -0.014 0.000 1.237 34 G CA -1.056 44.038 45.100 -0.009 0.000 0.986 34 G HN -0.087 nan 8.290 nan 0.000 0.494 35 P HA 0.267 nan 4.420 nan 0.000 0.274 35 P C -0.156 177.128 177.300 -0.027 0.000 1.246 35 P CA -0.326 62.763 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 0.732 121.280 120.570 -0.038 0.000 2.529 36 I HA 0.069 4.252 4.170 0.021 0.000 0.284 36 I C 0.961 177.048 176.117 -0.050 0.000 1.082 36 I CA -0.637 60.630 61.300 -0.054 0.000 1.406 36 I CB 0.808 38.768 38.000 -0.067 0.000 1.405 36 I HN 0.134 nan 8.210 nan 0.000 0.548 37 V N 4.962 124.830 119.914 -0.076 0.000 2.785 37 V HA 0.165 4.297 4.120 0.021 0.000 0.300 37 V C 0.896 176.961 176.094 -0.049 0.000 1.062 37 V CA -0.699 61.570 62.300 -0.052 0.000 1.029 37 V CB 1.622 33.389 31.823 -0.093 0.000 1.024 37 V HN 0.738 nan 8.190 nan 0.000 0.477 38 L N 2.708 123.957 121.223 0.043 0.000 2.127 38 L HA -0.112 4.240 4.340 0.021 0.000 0.211 38 L C 2.207 179.121 176.870 0.075 0.000 1.089 38 L CA 2.180 57.051 54.840 0.053 0.000 0.757 38 L CB -1.002 41.102 42.059 0.075 0.000 0.899 38 L HN 1.036 nan 8.230 nan 0.000 0.434 39 H N -2.308 116.764 119.070 0.004 0.000 2.592 39 H HA 0.114 4.682 4.556 0.020 0.000 0.291 39 H C -0.121 175.218 175.328 0.018 0.000 1.052 39 H CA -0.203 55.851 56.048 0.011 0.000 1.175 39 H CB -0.893 28.874 29.762 0.009 0.000 1.378 39 H HN 0.252 nan 8.280 nan 0.000 0.576 40 D N 2.796 123.102 120.400 -0.157 0.000 2.498 40 D HA -0.038 4.615 4.640 0.021 0.000 0.229 40 D C 1.257 177.560 176.300 0.005 0.000 1.188 40 D CA 0.172 54.114 54.000 -0.097 0.000 1.028 40 D CB 0.474 41.217 40.800 -0.095 0.000 1.087 40 D HN 0.515 nan 8.370 nan 0.000 0.510 41 T N 0.059 114.644 114.554 0.052 0.000 2.951 41 T HA -0.199 4.164 4.350 0.021 0.000 0.268 41 T C 1.761 176.534 174.700 0.122 0.000 1.073 41 T CA 0.942 63.093 62.100 0.084 0.000 1.134 41 T CB -0.230 68.694 68.868 0.093 0.000 0.884 41 T HN 0.361 nan 8.240 nan 0.000 0.479 42 H N 0.836 119.918 119.070 0.020 0.000 2.395 42 H HA 0.225 4.794 4.556 0.021 0.000 0.299 42 H C 1.947 177.305 175.328 0.050 0.000 1.070 42 H CA 1.053 57.118 56.048 0.029 0.000 1.356 42 H CB -0.572 29.201 29.762 0.017 0.000 1.401 42 H HN 0.290 nan 8.280 nan 0.000 0.524 43 L N -0.033 121.183 121.223 -0.011 0.000 2.017 43 L HA -0.123 4.229 4.340 0.021 0.000 0.208 43 L C 2.143 179.034 176.870 0.034 0.000 1.073 43 L CA 1.493 56.323 54.840 -0.017 0.000 0.745 43 L CB -0.641 41.392 42.059 -0.044 0.000 0.894 43 L HN 0.336 nan 8.230 nan 0.000 0.432 44 L N -0.878 120.359 121.223 0.023 0.000 2.017 44 L HA -0.218 4.134 4.340 0.021 0.000 0.208 44 L C 2.543 179.458 176.870 0.075 0.000 1.073 44 L CA 1.602 56.471 54.840 0.047 0.000 0.745 44 L CB -0.657 41.427 42.059 0.041 0.000 0.894 44 L HN 0.340 nan 8.230 nan 0.000 0.432 45 E N -0.314 119.922 120.200 0.061 0.000 2.051 45 E HA -0.211 4.152 4.350 0.021 0.000 0.192 45 E C 2.164 178.805 176.600 0.067 0.000 0.991 45 E CA 1.963 58.408 56.400 0.075 0.000 0.799 45 E CB -0.158 29.596 29.700 0.090 0.000 0.748 45 E HN 0.617 nan 8.360 nan 0.000 0.449 46 T N -1.008 113.531 114.554 -0.025 0.000 2.777 46 T HA -0.170 4.192 4.350 0.021 0.000 0.266 46 T C 1.803 176.485 174.700 -0.031 0.000 1.040 46 T CA 1.122 63.181 62.100 -0.067 0.000 1.141 46 T CB -0.430 68.288 68.868 -0.250 0.000 0.868 46 T HN 0.225 nan 8.240 nan 0.000 0.444 47 H N 1.361 120.415 119.070 -0.027 0.000 2.357 47 H HA 0.061 4.628 4.556 0.019 0.000 0.301 47 H C 2.620 178.007 175.328 0.098 0.000 1.082 47 H CA 1.599 57.655 56.048 0.012 0.000 1.342 47 H CB -0.021 29.714 29.762 -0.046 0.000 1.389 47 H HN 0.537 nan 8.280 nan 0.000 0.511 48 Q N -0.331 119.575 119.800 0.177 0.000 2.167 48 Q HA -0.165 4.188 4.340 0.021 0.000 0.202 48 Q C 2.085 178.139 176.000 0.090 0.000 0.970 48 Q CA 1.113 56.990 55.803 0.123 0.000 0.855 48 Q CB -0.019 28.780 28.738 0.101 0.000 0.911 48 Q HN 0.517 nan 8.270 nan 0.000 0.438 49 H N -0.140 118.972 119.070 0.070 0.000 2.363 49 H HA -0.112 4.457 4.556 0.022 0.000 0.301 49 H C 1.608 176.965 175.328 0.049 0.000 1.074 49 H CA 1.355 57.430 56.048 0.044 0.000 1.354 49 H CB -0.245 29.533 29.762 0.026 0.000 1.397 49 H HN 0.221 nan 8.280 nan 0.000 0.516 50 F N 1.169 121.035 119.950 -0.141 0.000 2.120 50 F HA -0.264 4.278 4.527 0.024 0.000 0.300 50 F C 1.713 177.400 175.800 -0.189 0.000 1.095 50 F CA 1.680 59.574 58.000 -0.175 0.000 1.249 50 F CB -0.290 38.592 39.000 -0.197 0.000 0.995 50 F HN 0.171 nan 8.300 nan 0.000 0.480 51 N N 0.461 119.174 118.700 0.023 0.000 2.520 51 N HA -0.062 4.691 4.740 0.021 0.000 0.185 51 N C 0.900 176.311 175.510 -0.166 0.000 1.068 51 N CA 0.842 53.863 53.050 -0.048 0.000 0.911 51 N CB -0.217 38.312 38.487 0.069 0.000 0.961 51 N HN 0.437 nan 8.380 nan 0.000 0.446 52 R N -0.822 119.514 120.500 -0.273 0.000 2.596 52 R HA 0.355 4.707 4.340 0.021 0.000 0.369 52 R C 1.258 177.321 176.300 -0.395 0.000 1.042 52 R CA -0.139 55.792 56.100 -0.280 0.000 1.120 52 R CB 0.290 30.459 30.300 -0.219 0.000 1.353 52 R HN 0.121 nan 8.270 nan 0.000 0.564 53 M N 0.272 119.589 119.600 -0.472 0.000 2.132 53 M HA -0.035 4.458 4.480 0.021 0.000 0.263 53 M C 0.153 176.276 176.300 -0.294 0.000 1.065 53 M CA 1.209 56.248 55.300 -0.435 0.000 1.122 53 M CB -0.079 32.251 32.600 -0.450 0.000 1.365 53 M HN 0.045 nan 8.290 nan 0.000 0.411 54 N N 1.917 120.478 118.700 -0.231 0.000 2.520 54 N HA 0.317 5.070 4.740 0.021 0.000 0.273 54 N C -0.559 174.927 175.510 -0.040 0.000 1.155 54 N CA 0.017 53.002 53.050 -0.108 0.000 0.967 54 N CB 0.664 39.083 38.487 -0.114 0.000 1.092 54 N HN 0.259 nan 8.380 nan 0.000 0.457 55 I N -1.579 119.021 120.570 0.049 0.000 2.910 55 I HA 0.674 4.856 4.170 0.021 0.000 0.310 55 I C -2.354 173.760 176.117 -0.005 0.000 1.043 55 I CA -2.537 58.773 61.300 0.017 0.000 1.053 55 I CB 1.695 39.741 38.000 0.076 0.000 1.242 55 I HN 0.190 nan 8.210 nan 0.000 0.452 56 P HA 0.050 nan 4.420 nan 0.000 0.264 56 P C -0.854 176.457 177.300 0.018 0.000 1.193 56 P CA 0.041 63.134 63.100 -0.012 0.000 0.763 56 P CB 0.353 32.036 31.700 -0.028 0.000 0.810 57 E N 3.156 123.379 120.200 0.039 0.000 2.408 57 E HA 0.113 4.476 4.350 0.021 0.000 0.259 57 E C -0.435 176.193 176.600 0.047 0.000 1.110 57 E CA -0.714 55.712 56.400 0.043 0.000 0.929 57 E CB 0.599 30.327 29.700 0.047 0.000 0.971 57 E HN 0.277 nan 8.360 nan 0.000 0.438 58 R N 0.999 121.527 120.500 0.047 0.000 2.640 58 R HA 0.055 4.407 4.340 0.021 0.000 0.270 58 R C 0.227 176.565 176.300 0.064 0.000 1.024 58 R CA 0.285 56.416 56.100 0.053 0.000 1.085 58 R CB 0.374 30.716 30.300 0.069 0.000 0.963 58 R HN 0.497 nan 8.270 nan 0.000 0.426 59 R N 3.878 124.412 120.500 0.056 0.000 2.435 59 R HA 0.324 4.676 4.340 0.021 0.000 0.308 59 R C -2.328 174.029 176.300 0.096 0.000 0.975 59 R CA -1.635 54.499 56.100 0.056 0.000 0.867 59 R CB 1.031 31.347 30.300 0.026 0.000 1.171 59 R HN 0.465 nan 8.270 nan 0.000 0.470 60 P HA 0.299 nan 4.420 nan 0.000 0.328 60 P C -0.933 176.534 177.300 0.279 0.000 1.305 60 P CA -0.210 62.984 63.100 0.158 0.000 0.745 60 P CB 0.459 32.236 31.700 0.128 0.000 1.462 61 H N -2.761 116.364 119.070 0.092 0.000 2.941 61 H HA -0.139 4.428 4.556 0.019 0.000 0.279 61 H C 1.137 176.503 175.328 0.064 0.000 1.247 61 H CA 0.380 56.481 56.048 0.089 0.000 1.129 61 H CB -1.755 28.052 29.762 0.074 0.000 1.313 61 H HN 0.516 nan 8.280 nan 0.000 0.384 62 A N 0.625 123.527 122.820 0.136 0.000 1.908 62 A HA -0.140 4.192 4.320 0.021 0.000 0.218 62 A C 1.552 179.200 177.584 0.107 0.000 1.181 62 A CA 1.739 53.836 52.037 0.099 0.000 0.627 62 A CB -0.022 19.017 19.000 0.065 0.000 0.818 62 A HN 0.226 nan 8.150 nan 0.000 0.445 63 K N 0.003 120.470 120.400 0.112 0.000 2.262 63 K HA 0.519 4.851 4.320 0.021 0.000 0.282 63 K C -0.100 176.626 176.600 0.211 0.000 1.066 63 K CA 0.706 57.072 56.287 0.132 0.000 0.901 63 K CB 0.513 33.056 32.500 0.072 0.000 1.089 63 K HN 0.440 nan 8.250 nan 0.000 0.476 64 G N 0.518 109.463 108.800 0.242 0.000 2.506 64 G HA2 0.530 4.502 3.960 0.021 0.000 0.292 64 G HA3 0.530 4.502 3.960 0.021 0.000 0.292 64 G C -1.525 173.569 174.900 0.322 0.000 1.425 64 G CA -0.523 44.727 45.100 0.249 0.000 0.788 64 G HN 0.562 nan 8.290 nan 0.000 0.490 65 S N -2.386 113.444 115.700 0.217 0.000 2.672 65 S HA 0.927 5.410 4.470 0.021 0.000 0.271 65 S C -0.172 174.468 174.600 0.066 0.000 1.171 65 S CA 0.504 58.895 58.200 0.317 0.000 0.817 65 S CB 1.417 64.972 63.200 0.592 0.000 1.150 65 S HN 2.243 nan 8.310 nan 0.000 0.478 66 G N 0.045 108.906 108.800 0.102 0.000 2.561 66 G HA2 0.848 4.821 3.960 0.021 0.000 0.310 66 G HA3 0.848 4.821 3.960 0.021 0.000 0.310 66 G C -1.411 173.472 174.900 -0.029 0.000 1.292 66 G CA 0.138 45.195 45.100 -0.072 0.000 0.811 66 G HN 1.460 nan 8.290 nan 0.000 0.482 67 A N -1.358 121.344 122.820 -0.197 0.000 2.610 67 A HA 0.795 5.127 4.320 0.021 0.000 0.291 67 A C -1.713 175.686 177.584 -0.309 0.000 1.086 67 A CA -0.712 51.241 52.037 -0.139 0.000 0.677 67 A CB 0.782 19.802 19.000 0.035 0.000 1.278 67 A HN 0.804 nan 8.150 nan 0.000 0.414 68 F N 0.225 120.144 119.950 -0.051 0.000 2.378 68 F HA 0.741 5.280 4.527 0.020 0.000 0.325 68 F C 1.242 177.004 175.800 -0.064 0.000 1.097 68 F CA 1.050 59.015 58.000 -0.058 0.000 1.079 68 F CB 2.109 41.078 39.000 -0.052 0.000 1.240 68 F HN 0.974 nan 8.300 nan 0.000 0.519 69 G N 0.335 109.226 108.800 0.151 0.000 2.588 69 G HA2 0.495 4.468 3.960 0.021 0.000 0.281 69 G HA3 0.495 4.468 3.960 0.021 0.000 0.281 69 G C -2.023 172.938 174.900 0.101 0.000 1.223 69 G CA -0.645 44.503 45.100 0.080 0.000 0.871 69 G HN 0.616 nan 8.290 nan 0.000 0.492 70 E N -1.246 119.025 120.200 0.118 0.000 2.343 70 E HA 0.586 4.948 4.350 0.021 0.000 0.278 70 E C -2.204 174.549 176.600 0.255 0.000 0.910 70 E CA -0.784 55.714 56.400 0.162 0.000 0.757 70 E CB 2.517 32.282 29.700 0.109 0.000 1.218 70 E HN 0.347 nan 8.360 nan 0.000 0.435 71 F N 2.795 122.854 119.950 0.180 0.000 2.467 71 F HA 0.412 4.952 4.527 0.021 0.000 0.336 71 F C -0.801 175.145 175.800 0.244 0.000 1.123 71 F CA -0.551 57.614 58.000 0.275 0.000 0.964 71 F CB 1.568 40.855 39.000 0.477 0.000 1.136 71 F HN 0.493 nan 8.300 nan 0.000 0.447 72 E N 5.448 125.351 120.200 -0.495 0.000 2.176 72 E HA 0.470 4.832 4.350 0.021 0.000 0.267 72 E C -1.586 174.729 176.600 -0.476 0.000 0.893 72 E CA -0.819 55.403 56.400 -0.297 0.000 0.761 72 E CB 1.713 31.327 29.700 -0.143 0.000 1.133 72 E HN 0.501 nan 8.360 nan 0.000 0.409 73 V N 4.390 124.240 119.914 -0.107 0.000 2.488 73 V HA 0.091 4.223 4.120 0.021 0.000 0.277 73 V C 1.160 177.254 176.094 -0.000 0.000 1.046 73 V CA 0.562 62.889 62.300 0.046 0.000 0.986 73 V CB 0.989 32.945 31.823 0.221 0.000 0.989 73 V HN 0.942 nan 8.190 nan 0.000 0.475 74 T N 0.253 114.800 114.554 -0.011 0.000 3.040 74 T HA 0.327 4.689 4.350 0.021 0.000 0.266 74 T C 0.335 175.044 174.700 0.015 0.000 1.005 74 T CA -0.248 61.847 62.100 -0.008 0.000 0.906 74 T CB 0.479 69.328 68.868 -0.033 0.000 1.082 74 T HN 0.538 nan 8.240 nan 0.000 0.531 75 E N 1.256 121.479 120.200 0.038 0.000 2.393 75 E HA 0.459 4.821 4.350 0.021 0.000 0.265 75 E C -1.546 175.096 176.600 0.071 0.000 0.941 75 E CA -0.645 55.784 56.400 0.048 0.000 0.801 75 E CB 1.616 31.343 29.700 0.044 0.000 1.313 75 E HN 0.101 nan 8.360 nan 0.000 0.435 76 D N 1.179 121.621 120.400 0.069 0.000 2.454 76 D HA 0.200 4.852 4.640 0.021 0.000 0.225 76 D C 0.049 176.408 176.300 0.099 0.000 1.081 76 D CA -0.509 53.532 54.000 0.068 0.000 0.864 76 D CB 0.681 41.504 40.800 0.037 0.000 1.040 76 D HN 0.194 nan 8.370 nan 0.000 0.517 77 V N 1.761 121.758 119.914 0.138 0.000 3.085 77 V HA 0.164 4.297 4.120 0.021 0.000 0.345 77 V C 1.499 177.683 176.094 0.151 0.000 1.397 77 V CA 0.331 62.779 62.300 0.247 0.000 1.165 77 V CB -0.364 31.685 31.823 0.377 0.000 1.153 77 V HN 0.414 nan 8.190 nan 0.000 0.495 78 S N 1.510 117.232 115.700 0.037 0.000 2.423 78 S HA -0.228 4.255 4.470 0.021 0.000 0.231 78 S C 1.810 176.375 174.600 -0.060 0.000 1.014 78 S CA 1.422 59.613 58.200 -0.015 0.000 0.965 78 S CB -0.507 62.679 63.200 -0.022 0.000 0.785 78 S HN 0.891 nan 8.310 nan 0.000 0.495 79 K N 0.401 120.712 120.400 -0.148 0.000 2.283 79 K HA -0.090 4.242 4.320 0.021 0.000 0.202 79 K C 1.340 177.763 176.600 -0.295 0.000 1.048 79 K CA 1.212 57.336 56.287 -0.273 0.000 0.948 79 K CB -0.455 31.796 32.500 -0.415 0.000 0.742 79 K HN 0.555 nan 8.250 nan 0.000 0.458 80 Y N 0.487 120.804 120.300 0.028 0.000 2.479 80 Y HA 0.149 4.711 4.550 0.021 0.000 0.283 80 Y C 0.991 176.985 175.900 0.156 0.000 1.109 80 Y CA 0.137 58.292 58.100 0.092 0.000 1.239 80 Y CB 1.027 39.596 38.460 0.182 0.000 1.108 80 Y HN 0.013 nan 8.280 nan 0.000 0.548 81 T N -0.068 114.544 114.554 0.097 0.000 2.923 81 T HA 0.223 4.586 4.350 0.021 0.000 0.311 81 T C 0.038 174.636 174.700 -0.170 0.000 1.183 81 T CA -0.876 61.122 62.100 -0.170 0.000 1.020 81 T CB 1.392 69.790 68.868 -0.784 0.000 1.165 81 T HN 0.275 nan 8.240 nan 0.000 0.482 82 K N 2.141 122.442 120.400 -0.165 0.000 2.404 82 K HA 0.517 4.849 4.320 0.021 0.000 0.194 82 K C 0.773 177.263 176.600 -0.184 0.000 1.023 82 K CA -0.224 55.979 56.287 -0.140 0.000 1.094 82 K CB 0.243 32.682 32.500 -0.102 0.000 0.841 82 K HN 0.490 nan 8.250 nan 0.000 0.523 83 A N 1.981 124.634 122.820 -0.279 0.000 2.548 83 A HA 0.098 4.431 4.320 0.021 0.000 0.247 83 A C 1.158 178.575 177.584 -0.278 0.000 1.067 83 A CA -0.291 51.548 52.037 -0.329 0.000 0.757 83 A CB -0.057 18.643 19.000 -0.501 0.000 0.996 83 A HN 0.403 nan 8.150 nan 0.000 0.504 84 L N 3.434 124.513 121.223 -0.240 0.000 2.079 84 L HA -0.157 4.195 4.340 0.021 0.000 0.210 84 L C 2.488 179.235 176.870 -0.205 0.000 1.081 84 L CA 1.445 56.180 54.840 -0.175 0.000 0.752 84 L CB -0.628 41.352 42.059 -0.132 0.000 0.896 84 L HN 0.692 nan 8.230 nan 0.000 0.433 85 V N -0.561 119.131 119.914 -0.370 0.000 2.568 85 V HA -0.252 3.881 4.120 0.021 0.000 0.253 85 V C 1.440 177.265 176.094 -0.448 0.000 1.072 85 V CA 1.720 63.723 62.300 -0.496 0.000 1.084 85 V CB -0.309 30.982 31.823 -0.886 0.000 0.676 85 V HN 0.320 nan 8.190 nan 0.000 0.469 86 F N -0.315 119.530 119.950 -0.175 0.000 2.668 86 F HA 0.459 4.999 4.527 0.021 0.000 0.301 86 F C 0.913 176.675 175.800 -0.064 0.000 1.106 86 F CA -1.128 56.812 58.000 -0.100 0.000 1.289 86 F CB -0.161 38.689 39.000 -0.250 0.000 1.006 86 F HN 0.150 nan 8.300 nan 0.000 0.535 87 Q N 1.163 121.002 119.800 0.065 0.000 2.354 87 Q HA 0.256 4.609 4.340 0.021 0.000 0.244 87 Q C -2.266 173.775 176.000 0.069 0.000 0.969 87 Q CA -2.365 53.461 55.803 0.038 0.000 0.885 87 Q CB 0.222 28.953 28.738 -0.011 0.000 1.241 87 Q HN -0.008 nan 8.270 nan 0.000 0.461 88 P HA -0.045 nan 4.420 nan 0.000 0.261 88 P C 0.558 177.885 177.300 0.045 0.000 1.173 88 P CA 1.348 64.479 63.100 0.052 0.000 0.760 88 P CB 0.249 31.968 31.700 0.031 0.000 0.783 89 G N 1.852 110.681 108.800 0.050 0.000 2.184 89 G HA2 -0.246 3.726 3.960 0.021 0.000 0.264 89 G HA3 -0.246 3.726 3.960 0.021 0.000 0.264 89 G C 0.328 175.256 174.900 0.046 0.000 0.975 89 G CA 0.255 45.377 45.100 0.037 0.000 0.642 89 G HN 0.587 nan 8.290 nan 0.000 0.536 90 T N 1.605 116.200 114.554 0.069 0.000 2.870 90 T HA 0.471 4.833 4.350 0.021 0.000 0.300 90 T C 0.351 175.117 174.700 0.109 0.000 0.989 90 T CA 0.348 62.495 62.100 0.077 0.000 1.139 90 T CB 1.187 70.101 68.868 0.077 0.000 0.920 90 T HN 0.364 nan 8.240 nan 0.000 0.537 91 K N 2.397 122.855 120.400 0.096 0.000 2.244 91 K HA 0.563 4.896 4.320 0.021 0.000 0.260 91 K C -0.555 176.136 176.600 0.152 0.000 0.951 91 K CA -0.699 55.660 56.287 0.121 0.000 0.826 91 K CB 1.763 34.308 32.500 0.075 0.000 1.108 91 K HN 0.471 nan 8.250 nan 0.000 0.433 92 T N 1.457 116.153 114.554 0.237 0.000 2.881 92 T HA 0.118 4.481 4.350 0.021 0.000 0.290 92 T C -0.871 173.988 174.700 0.265 0.000 1.000 92 T CA -0.738 61.515 62.100 0.255 0.000 0.978 92 T CB 1.604 70.672 68.868 0.333 0.000 0.997 92 T HN 0.552 nan 8.240 nan 0.000 0.443 93 E N 2.217 122.546 120.200 0.215 0.000 2.413 93 E HA 0.306 4.669 4.350 0.021 0.000 0.263 93 E C -0.108 176.680 176.600 0.314 0.000 1.015 93 E CA -0.107 56.420 56.400 0.213 0.000 0.916 93 E CB 0.541 30.311 29.700 0.116 0.000 0.947 93 E HN 0.738 nan 8.360 nan 0.000 0.440 94 T N 1.587 116.278 114.554 0.230 0.000 2.901 94 T HA 0.597 4.960 4.350 0.021 0.000 0.293 94 T C -0.949 173.830 174.700 0.131 0.000 1.084 94 T CA -1.058 61.078 62.100 0.061 0.000 1.008 94 T CB 1.434 70.168 68.868 -0.224 0.000 1.170 94 T HN 0.328 nan 8.240 nan 0.000 0.509 95 L N 1.032 122.199 121.223 -0.092 0.000 2.436 95 L HA 0.806 5.159 4.340 0.021 0.000 0.268 95 L C -1.855 174.768 176.870 -0.412 0.000 0.974 95 L CA -0.966 53.707 54.840 -0.278 0.000 0.826 95 L CB 1.797 43.722 42.059 -0.223 0.000 1.291 95 L HN 0.907 nan 8.230 nan 0.000 0.406 96 L N 5.036 125.916 121.223 -0.572 0.000 2.376 96 L HA 0.637 4.990 4.340 0.021 0.000 0.275 96 L C -0.959 175.377 176.870 -0.890 0.000 0.987 96 L CA -0.629 53.682 54.840 -0.881 0.000 0.828 96 L CB 1.466 42.834 42.059 -1.152 0.000 1.249 96 L HN 0.827 nan 8.230 nan 0.000 0.409 97 R N 4.058 123.990 120.500 -0.947 0.000 2.387 97 R HA 0.548 4.900 4.340 0.021 0.000 0.314 97 R C -1.548 174.153 176.300 -0.998 0.000 0.958 97 R CA -0.384 55.244 56.100 -0.786 0.000 0.846 97 R CB 1.076 31.104 30.300 -0.452 0.000 1.147 97 R HN 0.414 nan 8.270 nan 0.000 0.447 98 F N 1.662 121.133 119.950 -0.799 0.000 2.440 98 F HA 0.527 5.066 4.527 0.021 0.000 0.328 98 F C 0.425 175.787 175.800 -0.730 0.000 1.070 98 F CA -0.231 57.161 58.000 -1.013 0.000 1.011 98 F CB 2.119 39.898 39.000 -2.035 0.000 1.226 98 F HN 0.619 nan 8.300 nan 0.000 0.491 99 S N -1.217 114.388 115.700 -0.158 0.000 2.595 99 S HA 0.565 5.047 4.470 0.021 0.000 0.270 99 S C -0.708 174.081 174.600 0.315 0.000 1.145 99 S CA -0.965 57.326 58.200 0.151 0.000 0.825 99 S CB 1.121 64.446 63.200 0.208 0.000 1.107 99 S HN 0.734 nan 8.310 nan 0.000 0.461 100 T N -0.947 113.794 114.554 0.311 0.000 2.865 100 T HA 0.682 5.044 4.350 0.021 0.000 0.302 100 T C 0.934 175.648 174.700 0.022 0.000 1.078 100 T CA -0.111 62.135 62.100 0.243 0.000 0.942 100 T CB 0.287 69.303 68.868 0.246 0.000 1.387 100 T HN 0.662 nan 8.240 nan 0.000 0.557 101 V N -0.251 119.634 119.914 -0.049 0.000 2.840 101 V HA 0.313 4.445 4.120 0.021 0.000 0.234 101 V C 2.755 178.791 176.094 -0.098 0.000 1.159 101 V CA 0.837 62.964 62.300 -0.287 0.000 1.194 101 V CB -0.879 30.863 31.823 -0.135 0.000 0.971 101 V HN 1.011 nan 8.190 nan 0.000 0.494 102 A N 0.455 123.280 122.820 0.009 0.000 1.935 102 A HA 0.355 4.687 4.320 0.021 0.000 0.214 102 A C 1.575 179.206 177.584 0.078 0.000 1.178 102 A CA 1.035 53.071 52.037 -0.003 0.000 0.640 102 A CB -0.832 18.165 19.000 -0.004 0.000 0.825 102 A HN 0.542 nan 8.150 nan 0.000 0.447 103 G N 0.059 108.958 108.800 0.166 0.000 2.527 103 G HA2 0.446 4.418 3.960 0.021 0.000 0.248 103 G HA3 0.446 4.418 3.960 0.021 0.000 0.248 103 G C -0.296 174.626 174.900 0.037 0.000 1.231 103 G CA -0.295 44.892 45.100 0.145 0.000 0.838 103 G HN 0.417 nan 8.290 nan 0.000 0.570 104 E N -0.634 119.577 120.200 0.018 0.000 2.602 104 E HA 0.356 4.718 4.350 0.021 0.000 0.255 104 E C 0.212 176.804 176.600 -0.013 0.000 1.268 104 E CA -0.823 55.583 56.400 0.011 0.000 1.007 104 E CB 0.454 30.167 29.700 0.020 0.000 1.208 104 E HN 0.295 nan 8.360 nan 0.000 0.584 105 L N 1.137 122.366 121.223 0.009 0.000 2.540 105 L HA 0.157 4.509 4.340 0.021 0.000 0.276 105 L C 1.353 178.209 176.870 -0.022 0.000 1.212 105 L CA 2.064 56.912 54.840 0.012 0.000 0.893 105 L CB -0.355 41.723 42.059 0.032 0.000 1.138 105 L HN 0.712 nan 8.230 nan 0.000 0.491 106 G N 2.065 110.845 108.800 -0.034 0.000 2.212 106 G HA2 -0.322 3.650 3.960 0.021 0.000 0.266 106 G HA3 -0.322 3.650 3.960 0.021 0.000 0.266 106 G C 0.444 175.260 174.900 -0.140 0.000 0.978 106 G CA 0.558 45.618 45.100 -0.066 0.000 0.632 106 G HN 1.113 nan 8.290 nan 0.000 0.537 107 S N 0.906 116.478 115.700 -0.215 0.000 2.563 107 S HA 0.481 4.963 4.470 0.021 0.000 0.284 107 S C -1.976 172.284 174.600 -0.567 0.000 1.331 107 S CA -0.617 57.293 58.200 -0.484 0.000 1.047 107 S CB 1.280 64.061 63.200 -0.699 0.000 0.859 107 S HN 0.229 nan 8.310 nan 0.000 0.514 108 P HA 0.164 nan 4.420 nan 0.000 0.268 108 P C 0.107 177.106 177.300 -0.501 0.000 1.205 108 P CA -0.126 62.638 63.100 -0.559 0.000 0.771 108 P CB 0.355 31.762 31.700 -0.487 0.000 0.858 109 D N 0.566 120.813 120.400 -0.256 0.000 2.219 109 D HA -0.087 4.565 4.640 0.021 0.000 0.205 109 D C 1.206 177.437 176.300 -0.116 0.000 0.970 109 D CA 1.590 55.504 54.000 -0.144 0.000 0.851 109 D CB -0.381 40.271 40.800 -0.247 0.000 0.943 109 D HN 0.416 nan 8.370 nan 0.000 0.488 110 T N -2.310 112.160 114.554 -0.140 0.000 3.273 110 T HA 0.075 4.438 4.350 0.021 0.000 0.254 110 T C 0.251 175.103 174.700 0.253 0.000 1.002 110 T CA -0.767 61.336 62.100 0.005 0.000 0.913 110 T CB -0.423 68.387 68.868 -0.096 0.000 1.056 110 T HN -0.101 nan 8.240 nan 0.000 0.576 111 W N 2.661 124.000 121.300 0.066 0.000 2.137 111 W HA 0.390 5.062 4.660 0.020 0.000 0.344 111 W C 0.987 177.583 176.519 0.129 0.000 1.286 111 W CA -2.092 55.302 57.345 0.082 0.000 1.240 111 W CB 0.304 29.809 29.460 0.075 0.000 1.141 111 W HN 0.213 nan 8.180 nan 0.000 0.579 112 R N 2.876 123.560 120.500 0.307 0.000 2.421 112 R HA 0.143 4.495 4.340 0.021 0.000 0.305 112 R C -0.627 175.849 176.300 0.293 0.000 1.039 112 R CA 0.667 56.921 56.100 0.258 0.000 1.003 112 R CB 0.082 30.491 30.300 0.182 0.000 0.959 112 R HN 0.431 nan 8.270 nan 0.000 0.427 113 D N 2.025 122.621 120.400 0.326 0.000 2.755 113 D HA 0.106 4.758 4.640 0.021 0.000 0.277 113 D C -1.186 175.338 176.300 0.373 0.000 1.261 113 D CA -0.469 53.740 54.000 0.347 0.000 0.759 113 D CB 1.538 42.540 40.800 0.336 0.000 1.279 113 D HN 0.187 nan 8.370 nan 0.000 0.420 114 V N 1.547 121.700 119.914 0.398 0.000 2.924 114 V HA 0.392 4.525 4.120 0.021 0.000 0.305 114 V C 0.496 176.809 176.094 0.366 0.000 1.073 114 V CA 0.227 62.764 62.300 0.397 0.000 1.098 114 V CB 0.933 33.037 31.823 0.468 0.000 1.000 114 V HN 0.393 nan 8.190 nan 0.000 0.484 115 R N 1.767 122.495 120.500 0.380 0.000 2.589 115 R HA 0.622 4.975 4.340 0.021 0.000 0.293 115 R C 0.223 176.748 176.300 0.376 0.000 0.963 115 R CA -0.080 56.249 56.100 0.382 0.000 0.905 115 R CB 1.664 32.211 30.300 0.412 0.000 1.144 115 R HN 0.932 nan 8.270 nan 0.000 0.459 116 G N 0.975 109.997 108.800 0.371 0.000 2.476 116 G HA2 0.408 4.380 3.960 0.021 0.000 0.269 116 G HA3 0.408 4.380 3.960 0.021 0.000 0.269 116 G C -1.208 173.741 174.900 0.081 0.000 1.195 116 G CA -0.117 45.132 45.100 0.249 0.000 0.843 116 G HN 0.490 nan 8.290 nan 0.000 0.545 117 F N 1.989 121.784 119.950 -0.257 0.000 2.931 117 F HA 0.561 5.100 4.527 0.021 0.000 0.375 117 F C 0.175 175.578 175.800 -0.663 0.000 1.243 117 F CA -0.910 56.807 58.000 -0.471 0.000 1.206 117 F CB 0.851 39.656 39.000 -0.325 0.000 1.643 117 F HN 0.633 nan 8.300 nan 0.000 0.593 118 A N 4.796 127.069 122.820 -0.912 0.000 2.249 118 A HA 0.688 5.020 4.320 0.021 0.000 0.314 118 A C -1.723 175.123 177.584 -1.230 0.000 1.290 118 A CA -0.481 50.892 52.037 -1.106 0.000 0.893 118 A CB 0.680 18.727 19.000 -1.589 0.000 1.165 118 A HN 0.599 nan 8.150 nan 0.000 0.530 119 L N 2.945 123.646 121.223 -0.870 0.000 2.349 119 L HA 0.640 4.992 4.340 0.021 0.000 0.278 119 L C -0.076 176.486 176.870 -0.514 0.000 0.996 119 L CA -0.352 54.025 54.840 -0.772 0.000 0.825 119 L CB 1.551 43.096 42.059 -0.856 0.000 1.243 119 L HN 0.759 nan 8.230 nan 0.000 0.412 120 R N 4.132 124.393 120.500 -0.398 0.000 2.460 120 R HA 0.620 4.972 4.340 0.021 0.000 0.303 120 R C -1.712 174.277 176.300 -0.519 0.000 0.968 120 R CA -0.438 55.434 56.100 -0.380 0.000 0.889 120 R CB 0.932 30.980 30.300 -0.420 0.000 1.123 120 R HN 0.519 nan 8.270 nan 0.000 0.455 121 F N 3.846 123.604 119.950 -0.319 0.000 2.426 121 F HA 0.330 4.869 4.527 0.020 0.000 0.348 121 F C -0.663 175.018 175.800 -0.199 0.000 1.124 121 F CA -0.682 57.220 58.000 -0.164 0.000 1.008 121 F CB 1.285 40.235 39.000 -0.084 0.000 1.139 121 F HN 0.460 nan 8.300 nan 0.000 0.452 122 Y N 1.823 122.207 120.300 0.139 0.000 2.632 122 Y HA 0.219 4.781 4.550 0.019 0.000 0.336 122 Y C 1.068 177.007 175.900 0.064 0.000 1.237 122 Y CA -0.727 57.416 58.100 0.072 0.000 1.595 122 Y CB -0.189 38.294 38.460 0.038 0.000 1.508 122 Y HN 0.563 nan 8.280 nan 0.000 0.480 123 T N -2.421 112.215 114.554 0.136 0.000 2.874 123 T HA 0.143 4.506 4.350 0.021 0.000 0.281 123 T C 1.130 175.852 174.700 0.037 0.000 0.994 123 T CA -0.825 61.306 62.100 0.053 0.000 1.015 123 T CB 1.165 70.004 68.868 -0.050 0.000 1.028 123 T HN 0.427 nan 8.240 nan 0.000 0.523 124 E N 0.243 120.444 120.200 0.002 0.000 2.409 124 E HA -0.048 4.314 4.350 0.021 0.000 0.198 124 E C 0.940 177.529 176.600 -0.018 0.000 1.024 124 E CA 0.845 57.241 56.400 -0.006 0.000 0.861 124 E CB 0.082 29.772 29.700 -0.018 0.000 0.788 124 E HN 0.866 nan 8.360 nan 0.000 0.521 125 E N -0.380 119.800 120.200 -0.034 0.000 2.869 125 E HA 0.329 4.692 4.350 0.021 0.000 0.207 125 E C -0.238 176.347 176.600 -0.026 0.000 0.986 125 E CA -0.020 56.357 56.400 -0.039 0.000 1.131 125 E CB 0.331 29.989 29.700 -0.069 0.000 1.098 125 E HN 0.189 nan 8.360 nan 0.000 0.459 126 G N 0.776 109.575 108.800 -0.002 0.000 2.423 126 G HA2 -0.182 3.790 3.960 0.021 0.000 0.684 126 G HA3 -0.182 3.790 3.960 0.021 0.000 0.684 126 G C -1.144 173.768 174.900 0.020 0.000 1.309 126 G CA -1.107 44.000 45.100 0.012 0.000 0.950 126 G HN 0.110 nan 8.290 nan 0.000 0.587 127 N N -0.039 118.663 118.700 0.003 0.000 2.430 127 N HA 0.436 5.189 4.740 0.021 0.000 0.265 127 N C -0.739 174.778 175.510 0.011 0.000 1.100 127 N CA -0.009 53.009 53.050 -0.053 0.000 0.961 127 N CB 0.935 39.334 38.487 -0.147 0.000 1.075 127 N HN 0.575 nan 8.380 nan 0.000 0.478 128 Y N 2.301 122.542 120.300 -0.099 0.000 2.342 128 Y HA 0.306 4.869 4.550 0.021 0.000 0.338 128 Y C -1.011 174.890 175.900 0.002 0.000 0.965 128 Y CA -1.260 56.794 58.100 -0.076 0.000 1.159 128 Y CB 0.492 38.849 38.460 -0.171 0.000 1.157 128 Y HN 0.370 nan 8.280 nan 0.000 0.486 129 D N 6.769 126.863 120.400 -0.509 0.000 2.256 129 D HA 0.221 4.873 4.640 0.021 0.000 0.240 129 D C -1.027 174.859 176.300 -0.690 0.000 1.062 129 D CA -0.203 53.518 54.000 -0.465 0.000 0.832 129 D CB 2.120 42.805 40.800 -0.193 0.000 1.135 129 D HN 0.479 nan 8.370 nan 0.000 0.484 130 L N 3.872 124.728 121.223 -0.612 0.000 2.313 130 L HA 0.324 4.676 4.340 0.021 0.000 0.273 130 L C -1.221 175.443 176.870 -0.344 0.000 1.028 130 L CA -0.621 53.922 54.840 -0.495 0.000 0.871 130 L CB 0.813 42.628 42.059 -0.406 0.000 1.242 130 L HN 0.047 nan 8.230 nan 0.000 0.434 131 V N 5.672 125.429 119.914 -0.263 0.000 2.270 131 V HA 0.546 4.679 4.120 0.021 0.000 0.263 131 V C 0.970 176.985 176.094 -0.131 0.000 1.066 131 V CA -0.317 61.815 62.300 -0.280 0.000 0.857 131 V CB 0.608 32.244 31.823 -0.313 0.000 1.099 131 V HN 0.827 nan 8.190 nan 0.000 0.476 132 G N 3.432 112.166 108.800 -0.109 0.000 2.753 132 G HA2 0.621 4.594 3.960 0.021 0.000 0.285 132 G HA3 0.621 4.594 3.960 0.021 0.000 0.285 132 G C -0.729 174.194 174.900 0.039 0.000 1.344 132 G CA -0.577 44.528 45.100 0.009 0.000 1.050 132 G HN 0.498 nan 8.290 nan 0.000 0.532 133 N N -1.054 117.703 118.700 0.095 0.000 2.761 133 N HA 0.216 4.969 4.740 0.021 0.000 0.283 133 N C 0.172 175.800 175.510 0.197 0.000 1.377 133 N CA -0.722 52.435 53.050 0.178 0.000 0.791 133 N CB 1.348 39.952 38.487 0.195 0.000 1.540 133 N HN 0.521 nan 8.380 nan 0.000 0.539 134 N N -0.940 117.923 118.700 0.271 0.000 2.362 134 N HA 0.005 4.757 4.740 0.021 0.000 0.211 134 N C -0.531 175.215 175.510 0.393 0.000 1.170 134 N CA 0.042 53.302 53.050 0.349 0.000 0.828 134 N CB -0.012 38.708 38.487 0.387 0.000 1.034 134 N HN 0.388 nan 8.380 nan 0.000 0.475 135 T N -0.235 114.387 114.554 0.114 0.000 2.916 135 T HA 0.380 4.742 4.350 0.021 0.000 0.305 135 T C -2.534 171.811 174.700 -0.592 0.000 1.119 135 T CA -1.644 60.127 62.100 -0.549 0.000 1.008 135 T CB 2.219 70.528 68.868 -0.932 0.000 1.129 135 T HN -0.172 nan 8.240 nan 0.000 0.480 136 P HA 0.204 nan 4.420 nan 0.000 0.241 136 P C 0.490 177.515 177.300 -0.459 0.000 1.191 136 P CA 0.250 62.950 63.100 -0.667 0.000 0.771 136 P CB -0.150 31.130 31.700 -0.701 0.000 0.929 137 I N -6.009 114.236 120.570 -0.542 0.000 3.294 137 I HA 0.676 4.859 4.170 0.021 0.000 0.311 137 I C -1.037 174.909 176.117 -0.285 0.000 1.111 137 I CA -1.521 59.517 61.300 -0.436 0.000 0.976 137 I CB 1.826 39.458 38.000 -0.614 0.000 1.260 137 I HN -0.313 nan 8.210 nan 0.000 0.474 138 F N 0.026 119.736 119.950 -0.400 0.000 2.706 138 F HA 0.539 5.078 4.527 0.021 0.000 0.328 138 F C -0.054 175.557 175.800 -0.315 0.000 1.123 138 F CA -1.092 56.703 58.000 -0.341 0.000 0.978 138 F CB 1.731 40.665 39.000 -0.111 0.000 1.404 138 F HN 0.403 nan 8.300 nan 0.000 0.497 139 F N 1.356 120.832 119.950 -0.789 0.000 2.502 139 F HA 0.175 4.715 4.527 0.021 0.000 0.298 139 F C 0.137 175.804 175.800 -0.221 0.000 1.111 139 F CA 0.742 58.403 58.000 -0.565 0.000 1.445 139 F CB -0.246 38.188 39.000 -0.945 0.000 1.081 139 F HN -0.081 nan 8.300 nan 0.000 0.558 140 L N -0.605 120.719 121.223 0.169 0.000 2.376 140 L HA 0.466 4.819 4.340 0.021 0.000 0.258 140 L C 0.698 177.707 176.870 0.232 0.000 1.013 140 L CA -0.925 54.056 54.840 0.235 0.000 0.822 140 L CB 2.345 44.621 42.059 0.363 0.000 1.388 140 L HN -0.112 nan 8.230 nan 0.000 0.413 141 R N -1.013 119.587 120.500 0.167 0.000 2.509 141 R HA 0.331 4.684 4.340 0.021 0.000 0.297 141 R C -0.665 175.716 176.300 0.135 0.000 0.951 141 R CA -0.330 55.848 56.100 0.130 0.000 1.103 141 R CB 0.749 31.091 30.300 0.070 0.000 1.283 141 R HN 0.559 nan 8.270 nan 0.000 0.534 142 D N 1.256 121.759 120.400 0.171 0.000 2.896 142 D HA 0.198 4.850 4.640 0.021 0.000 0.241 142 D C -2.074 174.358 176.300 0.220 0.000 1.188 142 D CA -2.099 51.998 54.000 0.161 0.000 0.879 142 D CB 2.746 43.626 40.800 0.133 0.000 1.553 142 D HN -0.175 nan 8.370 nan 0.000 0.515 143 P HA -0.086 nan 4.420 nan 0.000 0.230 143 P C 1.449 178.916 177.300 0.278 0.000 1.158 143 P CA 0.328 63.567 63.100 0.232 0.000 0.769 143 P CB 0.288 32.077 31.700 0.147 0.000 0.807 144 M N 0.573 120.314 119.600 0.235 0.000 2.279 144 M HA -0.102 4.390 4.480 0.021 0.000 0.264 144 M C 1.646 178.161 176.300 0.358 0.000 1.062 144 M CA 1.812 57.260 55.300 0.246 0.000 1.099 144 M CB -0.682 32.033 32.600 0.192 0.000 1.394 144 M HN -0.228 nan 8.290 nan 0.000 0.426 145 K N -1.609 119.024 120.400 0.390 0.000 2.418 145 K HA -0.024 4.309 4.320 0.021 0.000 0.195 145 K C 1.676 178.588 176.600 0.520 0.000 1.035 145 K CA 0.555 57.141 56.287 0.499 0.000 1.003 145 K CB -0.251 32.512 32.500 0.439 0.000 0.793 145 K HN 0.357 nan 8.250 nan 0.000 0.494 146 F N 2.411 122.554 119.950 0.322 0.000 2.186 146 F HA -0.243 4.294 4.527 0.018 0.000 0.299 146 F C 2.409 178.321 175.800 0.187 0.000 1.090 146 F CA 1.819 60.012 58.000 0.322 0.000 1.307 146 F CB -0.275 38.896 39.000 0.285 0.000 1.019 146 F HN 0.018 nan 8.300 nan 0.000 0.489 147 T N -2.150 112.461 114.554 0.094 0.000 2.708 147 T HA -0.245 4.118 4.350 0.021 0.000 0.266 147 T C 1.932 176.433 174.700 -0.331 0.000 1.037 147 T CA 1.731 63.733 62.100 -0.164 0.000 1.146 147 T CB -1.029 67.739 68.868 -0.167 0.000 0.865 147 T HN 0.404 nan 8.240 nan 0.000 0.435 148 H N 0.203 119.228 119.070 -0.075 0.000 2.319 148 H HA -0.024 4.546 4.556 0.023 0.000 0.299 148 H C 2.096 177.087 175.328 -0.562 0.000 1.092 148 H CA 1.708 57.661 56.048 -0.157 0.000 1.302 148 H CB -0.758 29.073 29.762 0.115 0.000 1.373 148 H HN 0.532 nan 8.280 nan 0.000 0.497 149 F N 1.548 121.040 119.950 -0.763 0.000 2.069 149 F HA -0.227 4.313 4.527 0.021 0.000 0.298 149 F C 2.354 177.645 175.800 -0.848 0.000 1.113 149 F CA 1.130 58.377 58.000 -1.255 0.000 1.214 149 F CB -0.192 38.373 39.000 -0.726 0.000 0.978 149 F HN -0.066 nan 8.300 nan 0.000 0.474 150 I N 0.891 120.864 120.570 -0.995 0.000 2.226 150 I HA -0.238 3.944 4.170 0.021 0.000 0.245 150 I C 2.436 178.144 176.117 -0.682 0.000 1.100 150 I CA 1.443 62.172 61.300 -0.952 0.000 1.374 150 I CB -1.390 36.175 38.000 -0.726 0.000 1.057 150 I HN 0.258 nan 8.210 nan 0.000 0.413 151 R N 0.847 121.034 120.500 -0.522 0.000 2.096 151 R HA -0.144 4.208 4.340 0.021 0.000 0.235 151 R C 2.457 178.513 176.300 -0.408 0.000 1.127 151 R CA 1.772 57.648 56.100 -0.372 0.000 0.968 151 R CB -0.416 29.725 30.300 -0.264 0.000 0.861 151 R HN 0.491 nan 8.270 nan 0.000 0.440 152 S N 0.577 115.951 115.700 -0.543 0.000 2.419 152 S HA -0.121 4.362 4.470 0.021 0.000 0.233 152 S C 1.749 175.991 174.600 -0.598 0.000 1.016 152 S CA 0.795 58.675 58.200 -0.532 0.000 0.974 152 S CB 0.045 62.880 63.200 -0.608 0.000 0.786 152 S HN 0.233 nan 8.310 nan 0.000 0.492 153 Q N 0.696 120.050 119.800 -0.743 0.000 2.451 153 Q HA 0.270 4.622 4.340 0.021 0.000 0.206 153 Q C 0.948 176.710 176.000 -0.396 0.000 0.947 153 Q CA 0.534 55.950 55.803 -0.645 0.000 0.937 153 Q CB 0.183 28.429 28.738 -0.819 0.000 1.025 153 Q HN 0.674 nan 8.270 nan 0.000 0.511 154 K N 0.013 120.210 120.400 -0.339 0.000 3.862 154 K HA 0.378 4.711 4.320 0.021 0.000 0.243 154 K C 0.218 176.717 176.600 -0.169 0.000 1.020 154 K CA -0.521 55.641 56.287 -0.207 0.000 1.799 154 K CB 0.636 33.025 32.500 -0.184 0.000 2.987 154 K HN -0.159 nan 8.250 nan 0.000 0.818 155 R N 0.644 121.067 120.500 -0.129 0.000 2.778 155 R HA 0.407 4.760 4.340 0.021 0.000 0.277 155 R C -0.682 175.563 176.300 -0.091 0.000 0.977 155 R CA -0.711 55.332 56.100 -0.096 0.000 0.950 155 R CB 1.051 31.317 30.300 -0.057 0.000 1.165 155 R HN 0.226 nan 8.270 nan 0.000 0.474 156 L N 3.354 124.532 121.223 -0.076 0.000 2.456 156 L HA 0.093 4.446 4.340 0.021 0.000 0.272 156 L C -1.120 175.721 176.870 -0.048 0.000 1.189 156 L CA -1.223 53.580 54.840 -0.062 0.000 0.846 156 L CB 0.505 42.534 42.059 -0.050 0.000 1.111 156 L HN 0.461 nan 8.230 nan 0.000 0.475 157 P HA -0.136 nan 4.420 nan 0.000 0.221 157 P C 0.444 177.730 177.300 -0.024 0.000 1.150 157 P CA 1.085 64.165 63.100 -0.033 0.000 0.800 157 P CB 0.098 31.780 31.700 -0.029 0.000 0.787 158 D N 0.147 120.534 120.400 -0.021 0.000 2.290 158 D HA -0.083 4.570 4.640 0.021 0.000 0.224 158 D C 1.830 178.122 176.300 -0.014 0.000 0.967 158 D CA 1.504 55.495 54.000 -0.015 0.000 0.893 158 D CB -1.093 39.699 40.800 -0.013 0.000 1.037 158 D HN 0.226 nan 8.370 nan 0.000 0.477 159 S N -1.047 114.643 115.700 -0.017 0.000 2.501 159 S HA 0.324 4.806 4.470 0.021 0.000 0.220 159 S C 1.920 176.512 174.600 -0.014 0.000 0.997 159 S CA 0.488 58.679 58.200 -0.014 0.000 0.919 159 S CB -0.228 62.962 63.200 -0.016 0.000 0.778 159 S HN 0.651 nan 8.310 nan 0.000 0.523 160 G N 1.135 109.923 108.800 -0.020 0.000 2.160 160 G HA2 -0.218 3.754 3.960 0.021 0.000 0.251 160 G HA3 -0.218 3.754 3.960 0.021 0.000 0.251 160 G C -0.168 174.720 174.900 -0.019 0.000 1.008 160 G CA 0.494 45.583 45.100 -0.018 0.000 0.724 160 G HN 0.551 nan 8.290 nan 0.000 0.514 161 L N -0.328 120.876 121.223 -0.031 0.000 2.331 161 L HA 0.595 4.947 4.340 0.021 0.000 0.275 161 L C 1.227 178.057 176.870 -0.067 0.000 1.022 161 L CA -1.242 53.574 54.840 -0.039 0.000 0.812 161 L CB 1.166 43.203 42.059 -0.037 0.000 1.257 161 L HN 0.073 nan 8.230 nan 0.000 0.435 162 R N 1.038 121.485 120.500 -0.089 0.000 2.643 162 R HA 0.235 4.587 4.340 0.021 0.000 0.270 162 R C -0.960 175.265 176.300 -0.126 0.000 1.061 162 R CA -0.225 55.794 56.100 -0.135 0.000 1.107 162 R CB 0.472 30.656 30.300 -0.193 0.000 0.999 162 R HN 0.455 nan 8.270 nan 0.000 0.460 163 D N 0.039 120.356 120.400 -0.138 0.000 2.763 163 D HA 0.223 4.875 4.640 0.021 0.000 0.235 163 D C 0.121 176.360 176.300 -0.101 0.000 1.334 163 D CA -0.396 53.545 54.000 -0.099 0.000 0.950 163 D CB 1.739 42.492 40.800 -0.078 0.000 1.433 163 D HN 0.467 nan 8.370 nan 0.000 0.580 164 A N 2.578 125.374 122.820 -0.039 0.000 1.972 164 A HA -0.107 4.226 4.320 0.021 0.000 0.219 164 A C 1.882 179.548 177.584 0.137 0.000 1.169 164 A CA 1.858 53.925 52.037 0.051 0.000 0.635 164 A CB -0.427 18.691 19.000 0.196 0.000 0.810 164 A HN 0.616 nan 8.150 nan 0.000 0.446 165 T N -0.207 114.397 114.554 0.083 0.000 2.746 165 T HA -0.206 4.156 4.350 0.021 0.000 0.267 165 T C 1.929 176.649 174.700 0.034 0.000 1.039 165 T CA 1.801 63.953 62.100 0.085 0.000 1.142 165 T CB -0.303 68.585 68.868 0.034 0.000 0.866 165 T HN 0.618 nan 8.240 nan 0.000 0.444 166 M N 0.841 120.414 119.600 -0.045 0.000 2.117 166 M HA -0.153 4.339 4.480 0.021 0.000 0.262 166 M C 2.327 178.514 176.300 -0.189 0.000 1.065 166 M CA 1.598 56.840 55.300 -0.096 0.000 1.114 166 M CB -0.219 32.303 32.600 -0.131 0.000 1.361 166 M HN 0.192 nan 8.290 nan 0.000 0.408 167 Q N -0.584 119.015 119.800 -0.336 0.000 2.050 167 Q HA -0.211 4.141 4.340 0.021 0.000 0.202 167 Q C 1.744 177.321 176.000 -0.706 0.000 0.980 167 Q CA 2.354 57.710 55.803 -0.745 0.000 0.840 167 Q CB -0.405 27.743 28.738 -0.984 0.000 0.898 167 Q HN 0.711 nan 8.270 nan 0.000 0.424 168 W N 0.959 122.163 121.300 -0.160 0.000 2.402 168 W HA -0.138 4.536 4.660 0.022 0.000 0.286 168 W C 1.909 178.418 176.519 -0.016 0.000 1.221 168 W CA 0.612 57.975 57.345 0.031 0.000 1.257 168 W CB -0.132 29.360 29.460 0.052 0.000 1.120 168 W HN 0.243 nan 8.180 nan 0.000 0.551 169 D N -0.145 120.345 120.400 0.150 0.000 2.104 169 D HA -0.255 4.398 4.640 0.021 0.000 0.194 169 D C 1.843 178.178 176.300 0.058 0.000 0.994 169 D CA 1.330 55.378 54.000 0.081 0.000 0.830 169 D CB -0.504 40.323 40.800 0.046 0.000 0.959 169 D HN 0.092 nan 8.370 nan 0.000 0.452 170 F N -0.265 119.626 119.950 -0.099 0.000 2.102 170 F HA -0.131 4.409 4.527 0.023 0.000 0.298 170 F C 1.970 177.790 175.800 0.033 0.000 1.105 170 F CA 1.405 59.350 58.000 -0.091 0.000 1.239 170 F CB -0.306 38.569 39.000 -0.209 0.000 0.991 170 F HN 0.039 nan 8.300 nan 0.000 0.474 171 W N 1.089 122.412 121.300 0.039 0.000 2.358 171 W HA -0.152 4.521 4.660 0.021 0.000 0.303 171 W C 2.902 179.341 176.519 -0.134 0.000 1.208 171 W CA 2.444 59.752 57.345 -0.062 0.000 1.274 171 W CB -1.757 27.616 29.460 -0.146 0.000 1.138 171 W HN 0.175 nan 8.180 nan 0.000 0.515 172 T N -2.156 112.445 114.554 0.080 0.000 2.995 172 T HA -0.105 4.258 4.350 0.021 0.000 0.269 172 T C 1.335 176.081 174.700 0.077 0.000 1.091 172 T CA 1.090 63.204 62.100 0.023 0.000 1.128 172 T CB -0.454 68.415 68.868 0.002 0.000 0.891 172 T HN -0.042 nan 8.240 nan 0.000 0.492 173 N N 1.999 120.682 118.700 -0.029 0.000 2.398 173 N HA 0.080 4.832 4.740 0.021 0.000 0.188 173 N C -0.152 175.267 175.510 -0.152 0.000 1.122 173 N CA 0.218 53.219 53.050 -0.082 0.000 0.866 173 N CB 0.070 38.484 38.487 -0.122 0.000 0.970 173 N HN 0.507 nan 8.380 nan 0.000 0.462 174 N N 0.819 119.415 118.700 -0.173 0.000 2.791 174 N HA 0.155 4.908 4.740 0.021 0.000 0.265 174 N C -2.141 173.361 175.510 -0.013 0.000 1.580 174 N CA -0.927 52.014 53.050 -0.181 0.000 0.809 174 N CB 2.007 40.220 38.487 -0.457 0.000 1.178 174 N HN 0.044 nan 8.380 nan 0.000 0.499 175 P HA -0.174 nan 4.420 nan 0.000 0.223 175 P C 1.157 178.290 177.300 -0.278 0.000 1.144 175 P CA 1.058 64.132 63.100 -0.044 0.000 0.783 175 P CB 0.282 31.954 31.700 -0.046 0.000 0.771 176 E N 0.933 121.025 120.200 -0.180 0.000 2.331 176 E HA -0.162 4.201 4.350 0.021 0.000 0.199 176 E C 1.670 178.195 176.600 -0.125 0.000 1.008 176 E CA 1.510 57.806 56.400 -0.173 0.000 0.843 176 E CB -0.860 28.795 29.700 -0.075 0.000 0.761 176 E HN 0.320 nan 8.360 nan 0.000 0.507 177 S N 0.632 116.313 115.700 -0.033 0.000 2.507 177 S HA 0.089 4.572 4.470 0.021 0.000 0.235 177 S C 2.123 176.691 174.600 -0.054 0.000 0.988 177 S CA 0.475 58.700 58.200 0.041 0.000 0.944 177 S CB 0.062 63.397 63.200 0.226 0.000 0.762 177 S HN 0.431 nan 8.310 nan 0.000 0.526 178 A N 1.657 124.369 122.820 -0.180 0.000 1.902 178 A HA -0.151 4.182 4.320 0.021 0.000 0.217 178 A C 2.072 179.609 177.584 -0.077 0.000 1.181 178 A CA 1.695 53.574 52.037 -0.264 0.000 0.623 178 A CB -1.334 17.304 19.000 -0.604 0.000 0.818 178 A HN 0.812 nan 8.150 nan 0.000 0.443 179 H N -1.552 117.388 119.070 -0.217 0.000 2.293 179 H HA -0.192 4.377 4.556 0.021 0.000 0.300 179 H C 2.373 177.615 175.328 -0.143 0.000 1.082 179 H CA 1.651 57.599 56.048 -0.167 0.000 1.308 179 H CB 0.146 29.782 29.762 -0.210 0.000 1.375 179 H HN 0.513 nan 8.280 nan 0.000 0.495 180 Q N 0.524 120.189 119.800 -0.224 0.000 2.123 180 Q HA -0.072 4.280 4.340 0.021 0.000 0.199 180 Q C 2.321 178.139 176.000 -0.303 0.000 0.966 180 Q CA 1.378 56.876 55.803 -0.508 0.000 0.845 180 Q CB -0.257 27.799 28.738 -1.138 0.000 0.907 180 Q HN 0.366 nan 8.270 nan 0.000 0.439 181 V N 0.174 119.986 119.914 -0.171 0.000 2.407 181 V HA -0.255 3.877 4.120 0.021 0.000 0.248 181 V C 2.101 178.389 176.094 0.325 0.000 1.055 181 V CA 2.126 64.383 62.300 -0.071 0.000 1.049 181 V CB -0.967 30.668 31.823 -0.314 0.000 0.662 181 V HN 0.434 nan 8.190 nan 0.000 0.455 182 T N -0.884 113.947 114.554 0.462 0.000 2.684 182 T HA -0.260 4.103 4.350 0.021 0.000 0.267 182 T C 1.767 176.802 174.700 0.558 0.000 1.036 182 T CA 2.189 64.692 62.100 0.672 0.000 1.148 182 T CB -0.398 68.751 68.868 0.468 0.000 0.863 182 T HN 0.549 nan 8.240 nan 0.000 0.436 183 Y N 1.479 121.915 120.300 0.226 0.000 2.145 183 Y HA -0.099 4.464 4.550 0.021 0.000 0.286 183 Y C 2.172 178.196 175.900 0.206 0.000 1.145 183 Y CA 0.949 59.154 58.100 0.176 0.000 1.148 183 Y CB -0.546 37.898 38.460 -0.027 0.000 0.981 183 Y HN 0.101 nan 8.280 nan 0.000 0.507 184 L N -0.370 121.094 121.223 0.403 0.000 2.046 184 L HA -0.211 4.142 4.340 0.021 0.000 0.208 184 L C 1.903 178.946 176.870 0.290 0.000 1.077 184 L CA 1.842 56.888 54.840 0.342 0.000 0.747 184 L CB -0.618 41.623 42.059 0.304 0.000 0.896 184 L HN 0.228 nan 8.230 nan 0.000 0.432 185 M N -0.513 119.279 119.600 0.320 0.000 2.562 185 M HA 0.176 4.668 4.480 0.021 0.000 0.257 185 M C 1.264 177.733 176.300 0.282 0.000 1.099 185 M CA 0.628 56.063 55.300 0.225 0.000 1.099 185 M CB -1.660 30.990 32.600 0.082 0.000 1.427 185 M HN 0.314 nan 8.290 nan 0.000 0.489 186 G N 0.839 109.883 108.800 0.407 0.000 2.508 186 G HA2 0.247 4.219 3.960 0.021 0.000 0.278 186 G HA3 0.247 4.219 3.960 0.021 0.000 0.278 186 G C -1.837 173.063 174.900 -0.001 0.000 1.389 186 G CA -0.762 44.458 45.100 0.200 0.000 1.050 186 G HN 0.107 nan 8.290 nan 0.000 0.522 187 P HA -0.073 nan 4.420 nan 0.000 0.216 187 P C 1.627 178.918 177.300 -0.015 0.000 1.150 187 P CA 1.017 64.059 63.100 -0.096 0.000 0.837 187 P CB 0.113 31.719 31.700 -0.155 0.000 0.786 188 R N -0.847 119.623 120.500 -0.049 0.000 2.323 188 R HA 0.099 4.451 4.340 0.021 0.000 0.198 188 R C 2.221 178.618 176.300 0.161 0.000 0.988 188 R CA 0.684 56.799 56.100 0.025 0.000 1.041 188 R CB -0.850 29.374 30.300 -0.127 0.000 0.926 188 R HN 0.227 nan 8.270 nan 0.000 0.476 189 G N 0.562 109.462 108.800 0.167 0.000 2.559 189 G HA2 -0.108 3.865 3.960 0.021 0.000 0.216 189 G HA3 -0.108 3.865 3.960 0.021 0.000 0.216 189 G C 0.683 175.728 174.900 0.242 0.000 1.126 189 G CA 0.342 45.584 45.100 0.237 0.000 0.778 189 G HN 0.160 nan 8.290 nan 0.000 0.543 190 L N 1.570 122.917 121.223 0.206 0.000 2.480 190 L HA 0.285 4.638 4.340 0.021 0.000 0.253 190 L C -2.512 174.491 176.870 0.221 0.000 1.324 190 L CA -1.857 53.114 54.840 0.219 0.000 0.916 190 L CB 2.339 44.496 42.059 0.163 0.000 1.160 190 L HN -0.140 nan 8.230 nan 0.000 0.503 191 P HA 0.037 nan 4.420 nan 0.000 0.268 191 P C 0.410 177.851 177.300 0.235 0.000 1.204 191 P CA -0.052 63.175 63.100 0.213 0.000 0.768 191 P CB 1.050 32.864 31.700 0.190 0.000 0.842 192 R N 2.328 122.957 120.500 0.215 0.000 2.075 192 R HA -0.040 4.313 4.340 0.021 0.000 0.232 192 R C 0.570 177.055 176.300 0.308 0.000 1.126 192 R CA 1.657 57.923 56.100 0.277 0.000 0.963 192 R CB -0.075 30.358 30.300 0.223 0.000 0.858 192 R HN 0.679 nan 8.270 nan 0.000 0.435 193 T N -4.880 109.693 114.554 0.032 0.000 2.864 193 T HA 0.197 4.559 4.350 0.021 0.000 0.299 193 T C 0.179 174.706 174.700 -0.288 0.000 1.166 193 T CA -0.996 60.947 62.100 -0.262 0.000 1.007 193 T CB 0.656 69.458 68.868 -0.110 0.000 1.219 193 T HN 0.151 nan 8.240 nan 0.000 0.506 194 W N 0.887 121.907 121.300 -0.467 0.000 2.465 194 W HA 0.091 4.763 4.660 0.021 0.000 0.268 194 W C 2.208 178.624 176.519 -0.172 0.000 1.242 194 W CA 0.215 57.250 57.345 -0.518 0.000 1.248 194 W CB -0.812 27.937 29.460 -1.186 0.000 1.118 194 W HN 0.741 nan 8.180 nan 0.000 0.587 195 R N 0.273 120.858 120.500 0.141 0.000 2.189 195 R HA -0.086 4.266 4.340 0.021 0.000 0.223 195 R C 0.566 176.929 176.300 0.105 0.000 1.092 195 R CA 0.913 57.113 56.100 0.167 0.000 0.989 195 R CB -0.260 30.070 30.300 0.050 0.000 0.876 195 R HN 0.211 nan 8.270 nan 0.000 0.457 196 E N 0.998 121.292 120.200 0.156 0.000 2.723 196 E HA 0.161 4.523 4.350 0.021 0.000 0.219 196 E C -0.317 176.410 176.600 0.213 0.000 1.060 196 E CA -0.224 56.286 56.400 0.184 0.000 1.291 196 E CB 0.617 30.467 29.700 0.250 0.000 1.265 196 E HN 0.210 nan 8.360 nan 0.000 0.438 197 M N -1.516 118.270 119.600 0.310 0.000 2.520 197 M HA 0.534 5.026 4.480 0.021 0.000 0.283 197 M C -1.457 175.133 176.300 0.484 0.000 1.237 197 M CA -1.047 54.466 55.300 0.354 0.000 0.885 197 M CB 1.866 34.683 32.600 0.361 0.000 1.727 197 M HN -0.306 nan 8.290 nan 0.000 0.468 198 N N 0.785 119.697 118.700 0.353 0.000 2.493 198 N HA 0.739 5.492 4.740 0.021 0.000 0.275 198 N C -0.495 174.932 175.510 -0.138 0.000 1.186 198 N CA -0.016 53.147 53.050 0.188 0.000 0.978 198 N CB 1.670 40.198 38.487 0.069 0.000 1.184 198 N HN 0.889 nan 8.380 nan 0.000 0.487 199 G N -0.229 108.128 108.800 -0.738 0.000 2.453 199 G HA2 0.673 4.645 3.960 0.021 0.000 0.323 199 G HA3 0.673 4.645 3.960 0.021 0.000 0.323 199 G C -1.654 172.676 174.900 -0.950 0.000 1.198 199 G CA -0.264 44.021 45.100 -1.359 0.000 0.959 199 G HN 0.410 nan 8.290 nan 0.000 0.482 200 Y N -0.836 119.315 120.300 -0.249 0.000 2.544 200 Y HA 0.464 5.026 4.550 0.020 0.000 0.342 200 Y C 1.156 177.055 175.900 -0.002 0.000 1.062 200 Y CA -0.345 57.717 58.100 -0.063 0.000 1.023 200 Y CB 2.428 40.820 38.460 -0.113 0.000 1.308 200 Y HN 0.649 nan 8.280 nan 0.000 0.457 201 G N 0.100 109.050 108.800 0.250 0.000 2.448 201 G HA2 0.070 4.043 3.960 0.021 0.000 0.218 201 G HA3 0.070 4.043 3.960 0.021 0.000 0.218 201 G C 0.873 175.911 174.900 0.230 0.000 1.135 201 G CA 1.008 46.298 45.100 0.316 0.000 0.784 201 G HN 0.747 nan 8.290 nan 0.000 0.543 202 S N -0.932 114.816 115.700 0.080 0.000 1.577 202 S HA -0.243 4.239 4.470 0.021 0.000 0.240 202 S C 0.820 175.334 174.600 -0.143 0.000 0.755 202 S CA 1.329 59.453 58.200 -0.126 0.000 1.398 202 S CB -1.337 61.701 63.200 -0.270 0.000 1.552 202 S HN 0.706 nan 8.310 nan 0.000 0.510 203 H N 2.527 121.591 119.070 -0.009 0.000 2.771 203 H HA 0.267 4.835 4.556 0.020 0.000 0.364 203 H C 0.445 175.701 175.328 -0.119 0.000 1.133 203 H CA 0.893 56.852 56.048 -0.149 0.000 1.423 203 H CB 0.051 29.574 29.762 -0.399 0.000 1.425 203 H HN 0.382 nan 8.280 nan 0.000 0.606 204 T N 3.415 117.956 114.554 -0.022 0.000 2.834 204 T HA 0.139 4.502 4.350 0.021 0.000 0.298 204 T C -0.040 174.629 174.700 -0.051 0.000 0.966 204 T CA 0.208 62.300 62.100 -0.014 0.000 1.141 204 T CB -0.213 68.600 68.868 -0.091 0.000 0.905 204 T HN 0.292 nan 8.240 nan 0.000 0.535 205 Y N 1.291 121.708 120.300 0.195 0.000 2.602 205 Y HA 0.628 5.190 4.550 0.020 0.000 0.330 205 Y C -0.011 176.102 175.900 0.355 0.000 1.114 205 Y CA -1.399 56.874 58.100 0.289 0.000 1.182 205 Y CB 1.056 39.729 38.460 0.355 0.000 1.305 205 Y HN 0.400 nan 8.280 nan 0.000 0.502 206 L N 1.309 122.876 121.223 0.573 0.000 2.295 206 L HA 0.468 4.820 4.340 0.021 0.000 0.285 206 L C -1.803 175.357 176.870 0.483 0.000 1.035 206 L CA -0.663 54.411 54.840 0.390 0.000 0.806 206 L CB 0.402 42.650 42.059 0.315 0.000 1.214 206 L HN 0.477 nan 8.230 nan 0.000 0.426 207 W N 4.850 126.192 121.300 0.070 0.000 2.573 207 W HA 0.682 5.354 4.660 0.020 0.000 0.326 207 W C -0.947 175.593 176.519 0.034 0.000 1.049 207 W CA -0.923 56.456 57.345 0.057 0.000 1.220 207 W CB 1.885 31.372 29.460 0.045 0.000 1.373 207 W HN 0.194 nan 8.180 nan 0.000 0.507 208 V N 4.882 124.893 119.914 0.162 0.000 2.531 208 V HA 0.312 4.445 4.120 0.021 0.000 0.301 208 V C 0.133 176.242 176.094 0.024 0.000 1.034 208 V CA -1.039 61.299 62.300 0.063 0.000 0.865 208 V CB 1.321 33.147 31.823 0.006 0.000 0.995 208 V HN 0.572 nan 8.190 nan 0.000 0.424 209 N N 4.097 122.820 118.700 0.039 0.000 2.476 209 N HA 0.483 5.235 4.740 0.021 0.000 0.287 209 N C 1.051 176.545 175.510 -0.027 0.000 1.262 209 N CA -0.104 52.949 53.050 0.005 0.000 0.980 209 N CB 1.186 39.691 38.487 0.030 0.000 1.163 209 N HN 0.544 nan 8.380 nan 0.000 0.592 210 A N -0.831 121.967 122.820 -0.037 0.000 2.019 210 A HA -0.143 4.189 4.320 0.021 0.000 0.219 210 A C 1.610 179.172 177.584 -0.036 0.000 1.164 210 A CA 1.300 53.312 52.037 -0.042 0.000 0.644 210 A CB -0.674 18.301 19.000 -0.043 0.000 0.805 210 A HN 0.690 nan 8.150 nan 0.000 0.449 211 Q N -1.510 118.271 119.800 -0.031 0.000 2.403 211 Q HA 0.325 4.677 4.340 0.021 0.000 0.203 211 Q C 1.210 177.187 176.000 -0.038 0.000 0.932 211 Q CA 0.800 56.584 55.803 -0.031 0.000 0.945 211 Q CB 0.117 28.840 28.738 -0.026 0.000 1.045 211 Q HN 0.896 nan 8.270 nan 0.000 0.511 212 G N 0.064 108.839 108.800 -0.042 0.000 2.176 212 G HA2 -0.283 3.689 3.960 0.021 0.000 0.253 212 G HA3 -0.283 3.689 3.960 0.021 0.000 0.253 212 G C -0.331 174.517 174.900 -0.085 0.000 0.979 212 G CA -0.076 44.987 45.100 -0.061 0.000 0.641 212 G HN 0.383 nan 8.290 nan 0.000 0.530 213 E N 0.573 120.739 120.200 -0.056 0.000 2.354 213 E HA 0.497 4.859 4.350 0.021 0.000 0.269 213 E C 0.111 176.673 176.600 -0.062 0.000 1.036 213 E CA 0.103 56.459 56.400 -0.073 0.000 0.876 213 E CB 0.777 30.473 29.700 -0.006 0.000 1.009 213 E HN 0.325 nan 8.360 nan 0.000 0.416 214 K N 1.916 122.193 120.400 -0.205 0.000 2.221 214 K HA 0.437 4.769 4.320 0.021 0.000 0.258 214 K C -1.116 175.310 176.600 -0.291 0.000 0.944 214 K CA -0.637 55.511 56.287 -0.231 0.000 0.823 214 K CB 1.279 33.473 32.500 -0.510 0.000 1.113 214 K HN 0.429 nan 8.250 nan 0.000 0.431 215 H N 0.000 119.016 119.070 -0.090 0.000 2.637 215 H HA 0.315 4.883 4.556 0.021 0.000 0.363 215 H C -1.248 173.959 175.328 -0.201 0.000 1.131 215 H CA -0.550 55.438 56.048 -0.100 0.000 1.183 215 H CB 0.977 30.770 29.762 0.051 0.000 1.637 215 H HN 0.457 nan 8.280 nan 0.000 0.531 216 W N 2.352 123.716 121.300 0.107 0.000 2.287 216 W HA 0.513 5.185 4.660 0.020 0.000 0.313 216 W C -0.569 175.825 176.519 -0.207 0.000 1.267 216 W CA -0.493 56.840 57.345 -0.020 0.000 1.201 216 W CB 0.828 30.244 29.460 -0.075 0.000 1.196 216 W HN 0.153 nan 8.180 nan 0.000 0.536 217 V N 4.366 124.241 119.914 -0.065 0.000 2.735 217 V HA 0.423 4.555 4.120 0.021 0.000 0.310 217 V C -0.211 175.684 176.094 -0.332 0.000 1.061 217 V CA -1.435 60.594 62.300 -0.453 0.000 0.913 217 V CB 1.988 33.124 31.823 -1.145 0.000 1.005 217 V HN 0.303 nan 8.190 nan 0.000 0.428 218 K N 3.085 123.277 120.400 -0.347 0.000 2.221 218 K HA 0.557 4.890 4.320 0.021 0.000 0.258 218 K C -1.445 174.964 176.600 -0.319 0.000 0.944 218 K CA -0.446 55.707 56.287 -0.224 0.000 0.823 218 K CB 2.090 34.543 32.500 -0.079 0.000 1.113 218 K HN 0.563 nan 8.250 nan 0.000 0.431 219 Y N 1.577 121.771 120.300 -0.177 0.000 2.342 219 Y HA 0.282 4.845 4.550 0.021 0.000 0.334 219 Y C 0.536 176.221 175.900 -0.358 0.000 1.067 219 Y CA -0.439 57.538 58.100 -0.205 0.000 1.128 219 Y CB 1.326 39.743 38.460 -0.072 0.000 1.200 219 Y HN 0.369 nan 8.280 nan 0.000 0.464 220 H N 4.210 123.294 119.070 0.023 0.000 2.744 220 H HA 0.278 4.847 4.556 0.021 0.000 0.339 220 H C -1.617 173.604 175.328 -0.177 0.000 1.004 220 H CA -0.861 55.176 56.048 -0.018 0.000 1.257 220 H CB 1.398 31.224 29.762 0.106 0.000 1.552 220 H HN 0.556 nan 8.280 nan 0.000 0.522 221 F N 3.683 123.565 119.950 -0.113 0.000 2.332 221 F HA 0.242 4.782 4.527 0.022 0.000 0.368 221 F C 0.213 176.098 175.800 0.142 0.000 1.110 221 F CA -0.701 57.324 58.000 0.042 0.000 1.087 221 F CB 0.870 39.756 39.000 -0.191 0.000 1.235 221 F HN 0.335 nan 8.300 nan 0.000 0.470 222 I N 2.468 123.306 120.570 0.447 0.000 2.304 222 I HA 0.110 4.293 4.170 0.021 0.000 0.291 222 I C 0.587 176.907 176.117 0.338 0.000 1.018 222 I CA -0.391 61.114 61.300 0.342 0.000 1.260 222 I CB 1.066 39.241 38.000 0.290 0.000 1.390 222 I HN 0.412 nan 8.210 nan 0.000 0.475 223 S N 5.399 121.226 115.700 0.211 0.000 2.537 223 S HA 0.034 4.517 4.470 0.021 0.000 0.286 223 S C 1.121 175.645 174.600 -0.127 0.000 1.299 223 S CA -0.025 58.044 58.200 -0.218 0.000 1.067 223 S CB 0.430 63.543 63.200 -0.145 0.000 0.864 223 S HN 0.596 nan 8.310 nan 0.000 0.494 224 Q N 2.726 122.403 119.800 -0.203 0.000 2.435 224 Q HA -0.041 4.311 4.340 0.021 0.000 0.207 224 Q C 1.052 177.006 176.000 -0.076 0.000 0.956 224 Q CA 0.752 56.508 55.803 -0.078 0.000 0.917 224 Q CB 0.059 28.765 28.738 -0.053 0.000 0.997 224 Q HN 0.726 nan 8.270 nan 0.000 0.497 225 Q N -0.514 119.206 119.800 -0.134 0.000 2.360 225 Q HA 0.186 4.538 4.340 0.021 0.000 0.202 225 Q C 0.450 176.513 176.000 0.104 0.000 0.915 225 Q CA 0.508 56.292 55.803 -0.032 0.000 0.943 225 Q CB 0.881 29.577 28.738 -0.071 0.000 1.064 225 Q HN 0.361 nan 8.270 nan 0.000 0.511 226 G N -0.621 108.205 108.800 0.044 0.000 2.796 226 G HA2 -0.191 3.781 3.960 0.021 0.000 0.571 226 G HA3 -0.191 3.781 3.960 0.021 0.000 0.571 226 G C -0.881 173.971 174.900 -0.079 0.000 1.370 226 G CA -0.594 44.502 45.100 -0.007 0.000 0.856 226 G HN 0.072 nan 8.290 nan 0.000 0.538 227 V N 3.007 122.760 119.914 -0.268 0.000 2.347 227 V HA 0.588 4.720 4.120 0.021 0.000 0.280 227 V C -0.065 175.752 176.094 -0.460 0.000 1.021 227 V CA -0.513 61.681 62.300 -0.175 0.000 0.847 227 V CB 1.201 33.000 31.823 -0.040 0.000 0.990 227 V HN 0.778 nan 8.190 nan 0.000 0.444 228 H N 3.965 123.083 119.070 0.080 0.000 2.679 228 H HA 0.569 5.137 4.556 0.021 0.000 0.360 228 H C -0.876 174.502 175.328 0.083 0.000 1.105 228 H CA -0.708 55.380 56.048 0.067 0.000 1.196 228 H CB 2.480 32.278 29.762 0.059 0.000 1.636 228 H HN 0.573 nan 8.280 nan 0.000 0.531 229 N N 1.812 120.615 118.700 0.171 0.000 2.380 229 N HA 0.423 5.175 4.740 0.021 0.000 0.290 229 N C -0.489 175.092 175.510 0.117 0.000 1.236 229 N CA -0.685 52.446 53.050 0.135 0.000 0.780 229 N CB 2.591 41.129 38.487 0.085 0.000 1.438 229 N HN 0.328 nan 8.380 nan 0.000 0.491 230 L N 0.552 121.841 121.223 0.110 0.000 2.352 230 L HA 0.435 4.787 4.340 0.021 0.000 0.269 230 L C 1.027 177.929 176.870 0.052 0.000 1.034 230 L CA -0.747 54.137 54.840 0.073 0.000 0.806 230 L CB 1.493 43.594 42.059 0.070 0.000 1.244 230 L HN 0.637 nan 8.230 nan 0.000 0.447 231 S N -0.088 115.629 115.700 0.029 0.000 2.614 231 S HA 0.161 4.644 4.470 0.021 0.000 0.265 231 S C 0.800 175.413 174.600 0.023 0.000 1.303 231 S CA -0.715 57.496 58.200 0.019 0.000 1.000 231 S CB 0.828 64.031 63.200 0.005 0.000 0.935 231 S HN 0.608 nan 8.310 nan 0.000 0.551 232 N N 1.566 120.278 118.700 0.020 0.000 2.061 232 N HA -0.147 4.605 4.740 0.021 0.000 0.193 232 N C 1.006 176.523 175.510 0.012 0.000 1.030 232 N CA 1.756 54.819 53.050 0.023 0.000 0.856 232 N CB -0.701 37.794 38.487 0.013 0.000 1.023 232 N HN 0.673 nan 8.380 nan 0.000 0.424 233 D N 1.060 121.461 120.400 0.001 0.000 2.117 233 D HA -0.096 4.556 4.640 0.021 0.000 0.197 233 D C 1.817 178.108 176.300 -0.015 0.000 0.987 233 D CA 0.858 54.855 54.000 -0.006 0.000 0.829 233 D CB -0.199 40.595 40.800 -0.009 0.000 0.961 233 D HN 0.447 nan 8.370 nan 0.000 0.460 234 E N 0.653 120.841 120.200 -0.020 0.000 2.077 234 E HA -0.115 4.248 4.350 0.021 0.000 0.193 234 E C 2.103 178.663 176.600 -0.065 0.000 0.989 234 E CA 1.058 57.430 56.400 -0.046 0.000 0.800 234 E CB -0.061 29.612 29.700 -0.044 0.000 0.746 234 E HN 0.187 nan 8.360 nan 0.000 0.452 235 A N 0.838 123.641 122.820 -0.029 0.000 1.933 235 A HA -0.166 4.167 4.320 0.021 0.000 0.218 235 A C 2.357 179.944 177.584 0.004 0.000 1.175 235 A CA 1.768 53.795 52.037 -0.017 0.000 0.628 235 A CB -0.806 18.226 19.000 0.053 0.000 0.814 235 A HN 0.168 nan 8.150 nan 0.000 0.444 236 T N -0.373 114.193 114.554 0.020 0.000 2.746 236 T HA -0.151 4.211 4.350 0.021 0.000 0.267 236 T C 1.988 176.691 174.700 0.005 0.000 1.039 236 T CA 1.749 63.869 62.100 0.034 0.000 1.142 236 T CB -0.170 68.710 68.868 0.021 0.000 0.866 236 T HN 0.626 nan 8.240 nan 0.000 0.444 237 K N 0.715 121.098 120.400 -0.028 0.000 2.026 237 K HA -0.027 4.306 4.320 0.021 0.000 0.208 237 K C 2.196 178.750 176.600 -0.076 0.000 1.048 237 K CA 1.285 57.544 56.287 -0.046 0.000 0.929 237 K CB -0.308 32.158 32.500 -0.056 0.000 0.713 237 K HN 0.302 nan 8.250 nan 0.000 0.439 238 I N 0.967 121.456 120.570 -0.135 0.000 2.286 238 I HA -0.238 3.944 4.170 0.021 0.000 0.248 238 I C 2.425 178.464 176.117 -0.129 0.000 1.115 238 I CA 1.015 62.186 61.300 -0.216 0.000 1.392 238 I CB -0.362 37.373 38.000 -0.443 0.000 1.065 238 I HN 0.270 nan 8.210 nan 0.000 0.418 239 A N 0.938 123.723 122.820 -0.059 0.000 1.940 239 A HA -0.154 4.178 4.320 0.021 0.000 0.219 239 A C 2.414 179.998 177.584 -0.000 0.000 1.176 239 A CA 2.041 54.075 52.037 -0.006 0.000 0.631 239 A CB -1.298 17.779 19.000 0.127 0.000 0.814 239 A HN 0.474 nan 8.150 nan 0.000 0.446 240 G N -0.838 107.964 108.800 0.003 0.000 2.396 240 G HA2 -0.102 3.871 3.960 0.021 0.000 0.214 240 G HA3 -0.102 3.871 3.960 0.021 0.000 0.214 240 G C 1.448 176.340 174.900 -0.012 0.000 1.166 240 G CA 0.806 45.909 45.100 0.005 0.000 0.793 240 G HN 0.628 nan 8.290 nan 0.000 0.533 241 E N -0.434 119.749 120.200 -0.030 0.000 2.158 241 E HA -0.006 4.356 4.350 0.021 0.000 0.191 241 E C 0.204 176.795 176.600 -0.016 0.000 0.982 241 E CA 0.402 56.786 56.400 -0.026 0.000 0.823 241 E CB 0.229 29.904 29.700 -0.042 0.000 0.766 241 E HN 0.273 nan 8.360 nan 0.000 0.468 242 N N -0.980 117.707 118.700 -0.022 0.000 2.793 242 N HA 0.144 4.897 4.740 0.021 0.000 0.251 242 N C -0.520 174.983 175.510 -0.011 0.000 1.308 242 N CA 0.039 53.094 53.050 0.008 0.000 0.781 242 N CB 1.029 39.567 38.487 0.086 0.000 1.439 242 N HN -0.020 nan 8.380 nan 0.000 0.562 243 A N 1.427 124.224 122.820 -0.039 0.000 2.172 243 A HA -0.018 4.314 4.320 0.021 0.000 0.216 243 A C 0.440 177.972 177.584 -0.088 0.000 1.154 243 A CA 1.068 53.056 52.037 -0.083 0.000 0.701 243 A CB 0.092 19.038 19.000 -0.091 0.000 0.789 243 A HN 0.528 nan 8.150 nan 0.000 0.465 244 D N -1.853 118.519 120.400 -0.048 0.000 2.670 244 D HA 0.179 4.832 4.640 0.021 0.000 0.255 244 D C 0.643 176.905 176.300 -0.063 0.000 1.286 244 D CA -0.436 53.530 54.000 -0.057 0.000 0.830 244 D CB -0.246 40.521 40.800 -0.054 0.000 1.065 244 D HN 0.413 nan 8.370 nan 0.000 0.486 245 F N 1.057 120.871 119.950 -0.227 0.000 2.091 245 F HA -0.254 4.286 4.527 0.020 0.000 0.299 245 F C 1.989 177.641 175.800 -0.247 0.000 1.103 245 F CA 1.943 59.806 58.000 -0.229 0.000 1.228 245 F CB 0.134 38.968 39.000 -0.276 0.000 0.984 245 F HN 0.172 nan 8.300 nan 0.000 0.477 246 H N -1.164 117.625 119.070 -0.469 0.000 2.363 246 H HA -0.098 4.470 4.556 0.020 0.000 0.301 246 H C 2.388 177.123 175.328 -0.988 0.000 1.074 246 H CA 0.955 56.388 56.048 -1.025 0.000 1.354 246 H CB -0.163 28.614 29.762 -1.641 0.000 1.397 246 H HN 0.194 nan 8.280 nan 0.000 0.516 247 R N 1.220 121.476 120.500 -0.407 0.000 2.073 247 R HA -0.192 4.160 4.340 0.021 0.000 0.234 247 R C 2.398 178.706 176.300 0.013 0.000 1.134 247 R CA 1.822 57.927 56.100 0.009 0.000 0.952 247 R CB -0.078 30.287 30.300 0.108 0.000 0.850 247 R HN 0.374 nan 8.270 nan 0.000 0.433 248 Q N 0.315 120.052 119.800 -0.105 0.000 2.050 248 Q HA -0.229 4.124 4.340 0.021 0.000 0.202 248 Q C 1.584 177.533 176.000 -0.084 0.000 0.980 248 Q CA 2.259 58.014 55.803 -0.080 0.000 0.840 248 Q CB -0.169 28.498 28.738 -0.118 0.000 0.898 248 Q HN 0.425 nan 8.270 nan 0.000 0.424 249 D N -0.354 119.877 120.400 -0.282 0.000 2.104 249 D HA -0.224 4.429 4.640 0.021 0.000 0.194 249 D C 1.911 178.171 176.300 -0.066 0.000 0.994 249 D CA 1.330 55.165 54.000 -0.275 0.000 0.830 249 D CB -0.149 40.349 40.800 -0.504 0.000 0.959 249 D HN 0.292 nan 8.370 nan 0.000 0.452 250 L N -0.682 120.548 121.223 0.012 0.000 2.017 250 L HA -0.024 4.328 4.340 0.021 0.000 0.208 250 L C 2.045 179.041 176.870 0.210 0.000 1.073 250 L CA 1.603 56.553 54.840 0.183 0.000 0.745 250 L CB -0.938 41.364 42.059 0.405 0.000 0.894 250 L HN 0.167 nan 8.230 nan 0.000 0.432 251 F N 0.507 120.519 119.950 0.104 0.000 2.102 251 F HA -0.206 4.333 4.527 0.020 0.000 0.298 251 F C 2.407 178.250 175.800 0.072 0.000 1.105 251 F CA 2.019 60.081 58.000 0.103 0.000 1.239 251 F CB -0.137 38.916 39.000 0.088 0.000 0.991 251 F HN 0.211 nan 8.300 nan 0.000 0.474 252 E N -0.341 120.024 120.200 0.275 0.000 2.072 252 E HA -0.180 4.182 4.350 0.021 0.000 0.191 252 E C 2.318 178.963 176.600 0.076 0.000 0.985 252 E CA 1.466 57.965 56.400 0.165 0.000 0.801 252 E CB -0.258 29.501 29.700 0.099 0.000 0.750 252 E HN 0.474 nan 8.360 nan 0.000 0.452 253 S N 1.219 116.955 115.700 0.060 0.000 2.368 253 S HA -0.160 4.322 4.470 0.021 0.000 0.225 253 S C 2.105 176.745 174.600 0.067 0.000 1.030 253 S CA 0.850 59.079 58.200 0.048 0.000 0.999 253 S CB -0.465 62.766 63.200 0.051 0.000 0.844 253 S HN 0.162 nan 8.310 nan 0.000 0.459 254 I N 2.303 122.918 120.570 0.075 0.000 2.252 254 I HA -0.121 4.062 4.170 0.021 0.000 0.245 254 I C 3.000 179.146 176.117 0.050 0.000 1.102 254 I CA 1.010 62.376 61.300 0.110 0.000 1.385 254 I CB -0.622 37.393 38.000 0.026 0.000 1.064 254 I HN 0.378 nan 8.210 nan 0.000 0.414 255 A N 0.788 123.577 122.820 -0.051 0.000 1.940 255 A HA -0.219 4.114 4.320 0.021 0.000 0.219 255 A C 2.181 179.777 177.584 0.020 0.000 1.176 255 A CA 1.588 53.605 52.037 -0.034 0.000 0.631 255 A CB -0.419 18.581 19.000 -0.001 0.000 0.814 255 A HN 0.356 nan 8.150 nan 0.000 0.446 256 K N -1.560 118.853 120.400 0.022 0.000 2.487 256 K HA 0.203 4.536 4.320 0.021 0.000 0.192 256 K C 1.007 177.586 176.600 -0.034 0.000 1.027 256 K CA 0.467 56.757 56.287 0.005 0.000 1.054 256 K CB -0.066 32.437 32.500 0.004 0.000 0.824 256 K HN 0.684 nan 8.250 nan 0.000 0.510 257 G N 2.248 111.018 108.800 -0.050 0.000 2.141 257 G HA2 -0.218 3.755 3.960 0.021 0.000 0.242 257 G HA3 -0.218 3.755 3.960 0.021 0.000 0.242 257 G C -0.393 174.244 174.900 -0.438 0.000 0.982 257 G CA 0.053 45.007 45.100 -0.243 0.000 0.662 257 G HN 0.338 nan 8.290 nan 0.000 0.527 258 D N 1.043 121.336 120.400 -0.178 0.000 2.522 258 D HA 0.303 4.956 4.640 0.021 0.000 0.218 258 D C 0.399 176.709 176.300 0.018 0.000 1.149 258 D CA -0.312 53.623 54.000 -0.108 0.000 0.981 258 D CB -0.587 40.194 40.800 -0.031 0.000 1.041 258 D HN 0.604 nan 8.370 nan 0.000 0.518 259 H N 3.707 122.795 119.070 0.030 0.000 2.864 259 H HA 0.239 4.808 4.556 0.021 0.000 0.281 259 H C -1.649 173.711 175.328 0.053 0.000 1.093 259 H CA -1.888 54.194 56.048 0.057 0.000 1.453 259 H CB 0.770 30.570 29.762 0.064 0.000 1.462 259 H HN 0.269 nan 8.280 nan 0.000 0.480 260 P HA 0.110 nan 4.420 nan 0.000 0.275 260 P C -0.723 176.608 177.300 0.051 0.000 1.228 260 P CA -0.344 62.771 63.100 0.024 0.000 0.786 260 P CB 1.551 33.276 31.700 0.042 0.000 0.927 261 K N 1.789 122.076 120.400 -0.188 0.000 2.385 261 K HA 0.566 4.899 4.320 0.021 0.000 0.248 261 K C -0.895 175.601 176.600 -0.173 0.000 0.955 261 K CA -0.490 55.813 56.287 0.025 0.000 0.816 261 K CB 2.310 34.857 32.500 0.077 0.000 1.250 261 K HN 0.517 nan 8.250 nan 0.000 0.434 262 W N 1.435 122.908 121.300 0.288 0.000 2.883 262 W HA 0.247 4.920 4.660 0.022 0.000 0.335 262 W C -0.902 175.826 176.519 0.349 0.000 1.083 262 W CA -0.685 56.872 57.345 0.352 0.000 1.233 262 W CB 2.102 31.865 29.460 0.506 0.000 1.412 262 W HN 0.440 nan 8.180 nan 0.000 0.490 263 D N 2.673 123.351 120.400 0.463 0.000 2.225 263 D HA 0.250 4.903 4.640 0.021 0.000 0.248 263 D C -0.452 175.991 176.300 0.238 0.000 1.096 263 D CA -0.432 53.737 54.000 0.282 0.000 0.863 263 D CB 2.408 43.300 40.800 0.153 0.000 1.156 263 D HN 0.061 nan 8.370 nan 0.000 0.450 264 L N 3.766 125.063 121.223 0.123 0.000 2.290 264 L HA 0.298 4.650 4.340 0.021 0.000 0.284 264 L C -1.448 175.276 176.870 -0.244 0.000 1.078 264 L CA -0.143 54.630 54.840 -0.112 0.000 0.815 264 L CB 0.129 42.159 42.059 -0.048 0.000 1.162 264 L HN 0.232 nan 8.230 nan 0.000 0.435 265 Y N 5.020 125.284 120.300 -0.060 0.000 2.524 265 Y HA 0.641 5.203 4.550 0.021 0.000 0.344 265 Y C 0.166 176.024 175.900 -0.070 0.000 1.012 265 Y CA -0.871 57.203 58.100 -0.043 0.000 1.068 265 Y CB 1.648 40.088 38.460 -0.033 0.000 1.249 265 Y HN 0.590 nan 8.280 nan 0.000 0.468 266 I N -0.929 119.635 120.570 -0.010 0.000 2.797 266 I HA 0.652 4.835 4.170 0.021 0.000 0.307 266 I C -1.140 174.888 176.117 -0.148 0.000 1.033 266 I CA -1.210 59.968 61.300 -0.204 0.000 1.071 266 I CB 2.008 39.624 38.000 -0.641 0.000 1.255 266 I HN 0.492 nan 8.210 nan 0.000 0.445 267 Q N 2.650 122.357 119.800 -0.156 0.000 2.245 267 Q HA 0.750 5.103 4.340 0.021 0.000 0.256 267 Q C -0.903 174.894 176.000 -0.338 0.000 0.942 267 Q CA -1.014 54.688 55.803 -0.170 0.000 0.896 267 Q CB 2.272 30.978 28.738 -0.054 0.000 1.272 267 Q HN 0.858 nan 8.270 nan 0.000 0.442 268 A N 3.528 126.154 122.820 -0.324 0.000 2.340 268 A HA 0.573 4.906 4.320 0.021 0.000 0.297 268 A C -0.819 176.663 177.584 -0.170 0.000 1.195 268 A CA -0.567 51.246 52.037 -0.374 0.000 0.769 268 A CB 0.414 18.974 19.000 -0.733 0.000 1.163 268 A HN 0.726 nan 8.150 nan 0.000 0.472 269 I N 3.878 124.334 120.570 -0.191 0.000 2.354 269 I HA 0.328 4.510 4.170 0.021 0.000 0.292 269 I C -2.279 173.882 176.117 0.075 0.000 0.989 269 I CA -2.350 58.775 61.300 -0.292 0.000 1.188 269 I CB 2.101 39.757 38.000 -0.574 0.000 1.342 269 I HN 0.372 nan 8.210 nan 0.000 0.457 270 P HA -0.079 nan 4.420 nan 0.000 0.267 270 P C 0.294 177.630 177.300 0.059 0.000 1.200 270 P CA 0.071 63.167 63.100 -0.007 0.000 0.772 270 P CB 0.483 32.234 31.700 0.084 0.000 0.855 271 Y N 3.096 123.264 120.300 -0.219 0.000 2.069 271 Y HA -0.307 4.255 4.550 0.020 0.000 0.278 271 Y C 1.954 177.992 175.900 0.230 0.000 1.175 271 Y CA 2.018 60.034 58.100 -0.139 0.000 1.134 271 Y CB -0.310 38.006 38.460 -0.239 0.000 0.965 271 Y HN 0.365 nan 8.280 nan 0.000 0.498 272 E N 0.107 120.402 120.200 0.159 0.000 2.152 272 E HA -0.173 4.190 4.350 0.021 0.000 0.192 272 E C 1.990 178.647 176.600 0.095 0.000 0.983 272 E CA 1.289 57.742 56.400 0.089 0.000 0.818 272 E CB -0.235 29.541 29.700 0.128 0.000 0.758 272 E HN 0.700 nan 8.360 nan 0.000 0.467 273 E N 0.159 120.436 120.200 0.129 0.000 2.338 273 E HA -0.072 4.291 4.350 0.021 0.000 0.197 273 E C 2.016 178.668 176.600 0.086 0.000 1.007 273 E CA 0.567 57.046 56.400 0.130 0.000 0.849 273 E CB -0.129 29.675 29.700 0.174 0.000 0.774 273 E HN 0.252 nan 8.360 nan 0.000 0.506 274 G N 1.704 110.564 108.800 0.101 0.000 2.432 274 G HA2 -0.271 3.701 3.960 0.021 0.000 0.219 274 G HA3 -0.271 3.701 3.960 0.021 0.000 0.219 274 G C 1.414 176.238 174.900 -0.126 0.000 1.135 274 G CA 0.548 45.569 45.100 -0.130 0.000 0.767 274 G HN 0.163 nan 8.290 nan 0.000 0.550 275 K N -0.101 120.306 120.400 0.013 0.000 2.365 275 K HA 0.033 4.365 4.320 0.021 0.000 0.197 275 K C 2.231 178.845 176.600 0.023 0.000 1.042 275 K CA 1.337 57.643 56.287 0.031 0.000 0.987 275 K CB 0.220 32.736 32.500 0.027 0.000 0.779 275 K HN 0.452 nan 8.250 nan 0.000 0.484 276 T N -3.065 111.513 114.554 0.041 0.000 3.003 276 T HA 0.051 4.414 4.350 0.021 0.000 0.261 276 T C 0.319 175.056 174.700 0.061 0.000 1.003 276 T CA -0.517 61.608 62.100 0.042 0.000 0.917 276 T CB -0.272 68.628 68.868 0.054 0.000 1.084 276 T HN 0.022 nan 8.240 nan 0.000 0.522 277 Y N 4.284 124.552 120.300 -0.054 0.000 2.683 277 Y HA 0.160 4.722 4.550 0.021 0.000 0.340 277 Y C 1.881 177.724 175.900 -0.096 0.000 1.245 277 Y CA -0.994 57.081 58.100 -0.042 0.000 1.485 277 Y CB 0.809 39.255 38.460 -0.023 0.000 1.328 277 Y HN 0.170 nan 8.280 nan 0.000 0.603 278 R N 2.371 122.395 120.500 -0.794 0.000 2.235 278 R HA -0.001 4.351 4.340 0.021 0.000 0.213 278 R C -0.754 175.048 176.300 -0.830 0.000 1.059 278 R CA 0.738 56.384 56.100 -0.757 0.000 0.997 278 R CB -0.287 29.512 30.300 -0.835 0.000 0.884 278 R HN 0.307 nan 8.270 nan 0.000 0.462 279 F N 1.266 120.826 119.950 -0.650 0.000 2.480 279 F HA 0.284 4.824 4.527 0.021 0.000 0.329 279 F C 0.207 175.926 175.800 -0.135 0.000 1.091 279 F CA -2.132 55.702 58.000 -0.276 0.000 0.972 279 F CB 1.111 40.018 39.000 -0.154 0.000 1.150 279 F HN -0.136 nan 8.300 nan 0.000 0.467 280 N N 4.211 122.947 118.700 0.060 0.000 2.405 280 N HA 0.189 4.941 4.740 0.021 0.000 0.260 280 N C -2.012 173.373 175.510 -0.208 0.000 1.152 280 N CA -2.041 50.956 53.050 -0.088 0.000 0.948 280 N CB 0.979 39.435 38.487 -0.050 0.000 1.111 280 N HN 0.144 nan 8.380 nan 0.000 0.485 281 P HA -0.002 nan 4.420 nan 0.000 0.230 281 P C 0.114 176.979 177.300 -0.724 0.000 1.158 281 P CA 0.913 63.622 63.100 -0.652 0.000 0.769 281 P CB -0.029 31.072 31.700 -0.999 0.000 0.807 282 F N -0.960 118.835 119.950 -0.259 0.000 2.660 282 F HA 0.217 4.757 4.527 0.021 0.000 0.302 282 F C 0.697 176.410 175.800 -0.145 0.000 1.103 282 F CA -0.845 56.996 58.000 -0.264 0.000 1.340 282 F CB -0.547 38.237 39.000 -0.359 0.000 1.048 282 F HN -0.137 nan 8.300 nan 0.000 0.551 283 D N 0.976 121.357 120.400 -0.030 0.000 2.392 283 D HA 0.117 4.769 4.640 0.021 0.000 0.228 283 D C 0.884 177.164 176.300 -0.034 0.000 1.074 283 D CA -0.267 53.727 54.000 -0.010 0.000 0.838 283 D CB 1.244 42.032 40.800 -0.020 0.000 1.067 283 D HN 0.079 nan 8.370 nan 0.000 0.511 284 L N 3.936 125.157 121.223 -0.002 0.000 2.549 284 L HA -0.016 4.336 4.340 0.021 0.000 0.229 284 L C 1.928 178.751 176.870 -0.079 0.000 1.158 284 L CA 1.655 56.468 54.840 -0.045 0.000 0.842 284 L CB -0.656 41.402 42.059 -0.001 0.000 0.952 284 L HN 0.606 nan 8.230 nan 0.000 0.452 285 T N -4.102 110.418 114.554 -0.057 0.000 3.129 285 T HA 0.082 4.445 4.350 0.021 0.000 0.251 285 T C 0.698 175.380 174.700 -0.029 0.000 1.117 285 T CA -0.113 61.941 62.100 -0.077 0.000 1.034 285 T CB -0.156 68.678 68.868 -0.057 0.000 0.968 285 T HN -0.001 nan 8.240 nan 0.000 0.526 286 K N 3.074 123.429 120.400 -0.075 0.000 2.221 286 K HA 0.435 4.768 4.320 0.021 0.000 0.258 286 K C 0.094 176.616 176.600 -0.129 0.000 0.944 286 K CA -0.397 55.828 56.287 -0.104 0.000 0.823 286 K CB 1.824 34.245 32.500 -0.132 0.000 1.113 286 K HN 0.420 nan 8.250 nan 0.000 0.431 287 T N -0.732 113.750 114.554 -0.121 0.000 2.918 287 T HA 0.524 4.887 4.350 0.021 0.000 0.283 287 T C 0.493 175.138 174.700 -0.091 0.000 1.001 287 T CA -0.864 61.176 62.100 -0.099 0.000 1.041 287 T CB 0.803 69.645 68.868 -0.043 0.000 1.028 287 T HN 0.211 nan 8.240 nan 0.000 0.511 288 I N 2.022 122.608 120.570 0.027 0.000 2.354 288 I HA 0.303 4.486 4.170 0.021 0.000 0.292 288 I C 0.837 177.059 176.117 0.175 0.000 0.989 288 I CA -0.724 60.676 61.300 0.166 0.000 1.188 288 I CB 1.202 39.228 38.000 0.044 0.000 1.342 288 I HN 0.874 nan 8.210 nan 0.000 0.457 289 S N 4.865 120.746 115.700 0.302 0.000 2.537 289 S HA 0.023 4.505 4.470 0.021 0.000 0.286 289 S C 1.130 175.806 174.600 0.127 0.000 1.299 289 S CA 0.084 58.407 58.200 0.204 0.000 1.067 289 S CB 0.434 63.798 63.200 0.274 0.000 0.864 289 S HN 0.603 nan 8.310 nan 0.000 0.494 290 Q N 3.246 123.075 119.800 0.049 0.000 2.369 290 Q HA -0.054 4.299 4.340 0.021 0.000 0.206 290 Q C 1.819 177.809 176.000 -0.017 0.000 0.963 290 Q CA 0.971 56.771 55.803 -0.005 0.000 0.894 290 Q CB 0.048 28.752 28.738 -0.058 0.000 0.965 290 Q HN 0.701 nan 8.270 nan 0.000 0.475 291 K N 0.562 120.961 120.400 -0.002 0.000 2.057 291 K HA -0.132 4.200 4.320 0.021 0.000 0.206 291 K C 1.315 177.869 176.600 -0.076 0.000 1.050 291 K CA 1.257 57.529 56.287 -0.026 0.000 0.935 291 K CB 0.061 32.558 32.500 -0.004 0.000 0.715 291 K HN 0.184 nan 8.250 nan 0.000 0.439 292 D N -0.393 119.956 120.400 -0.086 0.000 2.123 292 D HA -0.072 4.580 4.640 0.021 0.000 0.200 292 D C 0.011 175.890 176.300 -0.702 0.000 0.976 292 D CA 1.273 55.076 54.000 -0.329 0.000 0.831 292 D CB 0.154 40.854 40.800 -0.167 0.000 0.974 292 D HN 0.138 nan 8.370 nan 0.000 0.469 293 Y N 0.418 120.681 120.300 -0.062 0.000 2.535 293 Y HA 0.292 4.855 4.550 0.021 0.000 0.341 293 Y C -2.257 173.590 175.900 -0.088 0.000 1.041 293 Y CA -2.446 55.597 58.100 -0.094 0.000 1.307 293 Y CB 1.801 40.166 38.460 -0.159 0.000 1.095 293 Y HN -0.161 nan 8.280 nan 0.000 0.534 294 P HA 0.185 nan 4.420 nan 0.000 0.274 294 P C -0.296 176.981 177.300 -0.039 0.000 1.231 294 P CA -0.404 62.681 63.100 -0.026 0.000 0.790 294 P CB 1.054 32.740 31.700 -0.023 0.000 0.951 295 R N 1.567 122.011 120.500 -0.094 0.000 2.537 295 R HA 0.347 4.700 4.340 0.021 0.000 0.280 295 R C 0.056 176.398 176.300 0.070 0.000 1.058 295 R CA -0.039 56.013 56.100 -0.080 0.000 1.057 295 R CB -0.119 30.012 30.300 -0.280 0.000 0.973 295 R HN 0.485 nan 8.270 nan 0.000 0.438 296 I N 2.655 123.297 120.570 0.120 0.000 2.389 296 I HA 0.212 4.395 4.170 0.021 0.000 0.288 296 I C 0.072 176.272 176.117 0.138 0.000 0.999 296 I CA -0.727 60.642 61.300 0.114 0.000 1.129 296 I CB 1.841 39.826 38.000 -0.026 0.000 1.288 296 I HN 0.400 nan 8.210 nan 0.000 0.444 297 K N 4.200 124.650 120.400 0.082 0.000 2.326 297 K HA 0.302 4.634 4.320 0.021 0.000 0.275 297 K C 0.076 176.605 176.600 -0.119 0.000 1.018 297 K CA -0.113 56.024 56.287 -0.251 0.000 0.962 297 K CB 1.220 33.559 32.500 -0.269 0.000 0.953 297 K HN 0.486 nan 8.250 nan 0.000 0.475 298 V N 1.854 121.689 119.914 -0.132 0.000 2.948 298 V HA 0.353 4.486 4.120 0.021 0.000 0.234 298 V C 0.805 176.950 176.094 0.086 0.000 1.205 298 V CA 0.733 63.055 62.300 0.036 0.000 1.234 298 V CB 0.611 32.478 31.823 0.073 0.000 1.020 298 V HN 1.029 nan 8.190 nan 0.000 0.491 299 G N -0.744 108.095 108.800 0.066 0.000 2.341 299 G HA2 0.466 4.439 3.960 0.021 0.000 0.299 299 G HA3 0.466 4.439 3.960 0.021 0.000 0.299 299 G C -1.441 173.398 174.900 -0.103 0.000 1.274 299 G CA 0.066 45.107 45.100 -0.098 0.000 0.853 299 G HN -0.043 nan 8.290 nan 0.000 0.493 300 T N 0.329 114.669 114.554 -0.357 0.000 2.886 300 T HA 0.569 4.931 4.350 0.021 0.000 0.292 300 T C -1.181 173.536 174.700 0.028 0.000 1.012 300 T CA -0.308 61.773 62.100 -0.031 0.000 0.982 300 T CB 1.759 70.621 68.868 -0.009 0.000 1.018 300 T HN 0.752 nan 8.240 nan 0.000 0.451 301 L N 3.261 124.767 121.223 0.471 0.000 2.282 301 L HA 0.728 5.080 4.340 0.021 0.000 0.288 301 L C -0.471 176.668 176.870 0.449 0.000 1.033 301 L CA 0.271 55.459 54.840 0.580 0.000 0.807 301 L CB 1.339 43.830 42.059 0.719 0.000 1.209 301 L HN 0.618 nan 8.230 nan 0.000 0.423 302 T N 6.108 120.849 114.554 0.312 0.000 2.824 302 T HA 0.552 4.914 4.350 0.021 0.000 0.282 302 T C -0.486 174.337 174.700 0.205 0.000 0.993 302 T CA -0.399 61.858 62.100 0.262 0.000 0.967 302 T CB 1.156 70.124 68.868 0.167 0.000 0.960 302 T HN 0.447 nan 8.240 nan 0.000 0.441 303 L N 4.195 125.560 121.223 0.236 0.000 2.282 303 L HA 0.497 4.850 4.340 0.021 0.000 0.288 303 L C 0.642 177.490 176.870 -0.036 0.000 1.033 303 L CA -0.650 54.268 54.840 0.129 0.000 0.807 303 L CB 0.841 43.035 42.059 0.226 0.000 1.209 303 L HN 0.754 nan 8.230 nan 0.000 0.423 304 N N 2.221 120.817 118.700 -0.172 0.000 2.081 304 N HA 0.089 4.841 4.740 0.021 0.000 0.230 304 N C -0.146 175.191 175.510 -0.287 0.000 1.351 304 N CA -0.516 52.198 53.050 -0.560 0.000 0.840 304 N CB 0.680 38.765 38.487 -0.669 0.000 1.189 304 N HN 0.551 nan 8.380 nan 0.000 0.503 305 R N 0.426 120.881 120.500 -0.076 0.000 2.510 305 R HA 0.353 4.706 4.340 0.021 0.000 0.287 305 R C -1.415 174.928 176.300 0.071 0.000 1.084 305 R CA -0.493 55.602 56.100 -0.008 0.000 0.934 305 R CB 0.781 31.088 30.300 0.011 0.000 1.201 305 R HN -0.052 nan 8.270 nan 0.000 0.431 306 N N 3.906 122.585 118.700 -0.035 0.000 2.444 306 N HA 0.241 4.993 4.740 0.021 0.000 0.255 306 N C -2.325 173.291 175.510 0.177 0.000 1.255 306 N CA -1.182 51.839 53.050 -0.049 0.000 0.933 306 N CB 0.636 38.806 38.487 -0.527 0.000 1.143 306 N HN 0.443 nan 8.380 nan 0.000 0.453 307 P HA 0.119 nan 4.420 nan 0.000 0.272 307 P C 0.164 177.637 177.300 0.287 0.000 1.223 307 P CA 0.057 63.370 63.100 0.355 0.000 0.784 307 P CB 0.889 32.777 31.700 0.314 0.000 0.923 308 E N 0.220 120.546 120.200 0.209 0.000 2.318 308 E HA 0.005 4.368 4.350 0.021 0.000 0.193 308 E C 0.343 177.050 176.600 0.178 0.000 0.998 308 E CA 0.509 57.010 56.400 0.169 0.000 0.859 308 E CB 0.275 30.028 29.700 0.089 0.000 0.812 308 E HN 0.405 nan 8.360 nan 0.000 0.492 309 N N -0.198 118.617 118.700 0.191 0.000 2.549 309 N HA 0.001 4.753 4.740 0.021 0.000 0.290 309 N C -0.067 175.575 175.510 0.220 0.000 1.122 309 N CA -0.033 53.134 53.050 0.196 0.000 0.885 309 N CB 1.080 39.661 38.487 0.157 0.000 1.455 309 N HN -0.011 nan 8.380 nan 0.000 0.521 310 H N 3.276 122.446 119.070 0.166 0.000 2.319 310 H HA -0.107 4.461 4.556 0.020 0.000 0.299 310 H C 1.483 176.888 175.328 0.127 0.000 1.092 310 H CA 2.243 58.379 56.048 0.147 0.000 1.302 310 H CB 0.057 29.900 29.762 0.135 0.000 1.373 310 H HN 0.587 nan 8.280 nan 0.000 0.497 311 F N 0.598 120.621 119.950 0.121 0.000 2.102 311 F HA -0.101 4.433 4.527 0.011 0.000 0.298 311 F C 2.493 178.286 175.800 -0.012 0.000 1.105 311 F CA 1.545 59.576 58.000 0.051 0.000 1.239 311 F CB -0.698 38.356 39.000 0.089 0.000 0.991 311 F HN 0.285 nan 8.300 nan 0.000 0.474 312 A N -0.560 122.345 122.820 0.141 0.000 1.968 312 A HA -0.133 4.199 4.320 0.021 0.000 0.217 312 A C 2.039 179.591 177.584 -0.054 0.000 1.169 312 A CA 1.624 53.694 52.037 0.055 0.000 0.638 312 A CB -0.500 18.578 19.000 0.130 0.000 0.812 312 A HN 0.605 nan 8.150 nan 0.000 0.446 313 Q N -1.496 118.284 119.800 -0.034 0.000 2.392 313 Q HA 0.207 4.559 4.340 0.021 0.000 0.219 313 Q C 1.264 177.173 176.000 -0.152 0.000 0.895 313 Q CA 0.263 56.062 55.803 -0.007 0.000 0.929 313 Q CB 0.394 29.237 28.738 0.175 0.000 1.077 313 Q HN 0.553 nan 8.270 nan 0.000 0.532 314 I N -0.529 119.876 120.570 -0.274 0.000 3.345 314 I HA -0.020 4.163 4.170 0.021 0.000 0.258 314 I C 1.989 177.890 176.117 -0.361 0.000 1.134 314 I CA 0.708 61.795 61.300 -0.355 0.000 1.457 314 I CB -0.702 36.985 38.000 -0.521 0.000 1.425 314 I HN 0.060 nan 8.210 nan 0.000 0.461 315 E N 1.613 121.526 120.200 -0.478 0.000 2.110 315 E HA -0.102 4.261 4.350 0.021 0.000 0.193 315 E C 1.932 178.270 176.600 -0.437 0.000 0.988 315 E CA 1.436 57.583 56.400 -0.423 0.000 0.804 315 E CB 0.056 29.456 29.700 -0.500 0.000 0.745 315 E HN 0.198 nan 8.360 nan 0.000 0.458 316 S N -0.110 115.287 115.700 -0.506 0.000 2.575 316 S HA 0.353 4.836 4.470 0.021 0.000 0.215 316 S C 0.400 174.846 174.600 -0.256 0.000 0.966 316 S CA 0.149 58.121 58.200 -0.380 0.000 0.911 316 S CB 0.270 63.253 63.200 -0.361 0.000 0.780 316 S HN 0.440 nan 8.310 nan 0.000 0.514 317 A N 1.580 124.239 122.820 -0.268 0.000 2.445 317 A HA 0.631 4.964 4.320 0.021 0.000 0.242 317 A C 0.276 177.671 177.584 -0.315 0.000 1.075 317 A CA -0.027 51.802 52.037 -0.346 0.000 0.777 317 A CB 0.120 18.862 19.000 -0.430 0.000 1.013 317 A HN 0.446 nan 8.150 nan 0.000 0.493 318 A N 2.343 124.920 122.820 -0.405 0.000 2.605 318 A HA 0.630 4.962 4.320 0.021 0.000 0.293 318 A C -0.720 176.703 177.584 -0.268 0.000 1.216 318 A CA -0.446 51.464 52.037 -0.211 0.000 0.742 318 A CB 0.065 18.990 19.000 -0.126 0.000 1.170 318 A HN 0.601 nan 8.150 nan 0.000 0.443 319 F N 1.232 121.131 119.950 -0.084 0.000 2.375 319 F HA 0.681 5.220 4.527 0.020 0.000 0.333 319 F C 1.075 176.819 175.800 -0.093 0.000 1.104 319 F CA 0.082 58.001 58.000 -0.136 0.000 1.149 319 F CB 1.963 40.842 39.000 -0.202 0.000 1.190 319 F HN 0.438 nan 8.300 nan 0.000 0.533 320 S N 2.394 118.081 115.700 -0.021 0.000 2.566 320 S HA 0.394 4.877 4.470 0.021 0.000 0.273 320 S C -2.321 172.118 174.600 -0.267 0.000 1.157 320 S CA -1.353 56.728 58.200 -0.199 0.000 0.938 320 S CB 1.696 64.881 63.200 -0.025 0.000 1.087 320 S HN 0.228 nan 8.310 nan 0.000 0.474 321 P HA -0.067 nan 4.420 nan 0.000 0.225 321 P C 1.388 178.664 177.300 -0.039 0.000 1.148 321 P CA 1.029 64.015 63.100 -0.190 0.000 0.779 321 P CB -0.056 31.517 31.700 -0.212 0.000 0.780 322 S N -1.776 113.891 115.700 -0.054 0.000 2.474 322 S HA -0.067 4.416 4.470 0.021 0.000 0.235 322 S C 1.148 175.759 174.600 0.018 0.000 0.997 322 S CA 0.544 58.748 58.200 0.007 0.000 0.949 322 S CB -1.125 62.070 63.200 -0.008 0.000 0.766 322 S HN 0.051 nan 8.310 nan 0.000 0.517 323 N N 3.700 122.398 118.700 -0.003 0.000 3.178 323 N HA 0.153 4.905 4.740 0.021 0.000 0.300 323 N C 0.090 175.673 175.510 0.122 0.000 1.242 323 N CA 0.278 53.338 53.050 0.016 0.000 1.192 323 N CB 0.319 38.782 38.487 -0.041 0.000 1.463 323 N HN 0.682 nan 8.380 nan 0.000 0.539 324 T N -2.548 112.097 114.554 0.151 0.000 2.847 324 T HA 0.616 4.978 4.350 0.021 0.000 0.279 324 T C 0.621 175.383 174.700 0.102 0.000 0.984 324 T CA -0.713 61.517 62.100 0.217 0.000 0.988 324 T CB 1.381 70.353 68.868 0.173 0.000 1.040 324 T HN 0.028 nan 8.240 nan 0.000 0.528 325 V N -3.261 116.641 119.914 -0.021 0.000 3.040 325 V HA 0.723 4.856 4.120 0.021 0.000 0.312 325 V C -3.156 172.860 176.094 -0.129 0.000 1.115 325 V CA -3.313 58.928 62.300 -0.098 0.000 0.998 325 V CB 1.105 32.822 31.823 -0.177 0.000 1.042 325 V HN 0.715 nan 8.190 nan 0.000 0.433 326 P HA 0.330 nan 4.420 nan 0.000 0.262 326 P C 0.957 178.163 177.300 -0.157 0.000 1.182 326 P CA 2.006 65.045 63.100 -0.101 0.000 0.761 326 P CB 0.575 32.223 31.700 -0.087 0.000 0.795 327 G N 2.265 110.989 108.800 -0.126 0.000 2.213 327 G HA2 -0.186 3.786 3.960 0.021 0.000 0.226 327 G HA3 -0.186 3.786 3.960 0.021 0.000 0.226 327 G C -0.035 174.763 174.900 -0.171 0.000 0.992 327 G CA -0.302 44.694 45.100 -0.173 0.000 0.632 327 G HN 0.501 nan 8.290 nan 0.000 0.511 328 I N 0.774 121.283 120.570 -0.102 0.000 2.534 328 I HA 0.656 4.838 4.170 0.021 0.000 0.288 328 I C 0.491 176.714 176.117 0.176 0.000 1.077 328 I CA -0.451 60.882 61.300 0.056 0.000 1.051 328 I CB 2.043 39.967 38.000 -0.127 0.000 1.234 328 I HN 0.256 nan 8.210 nan 0.000 0.425 329 G N 5.201 114.199 108.800 0.329 0.000 2.818 329 G HA2 0.779 4.751 3.960 0.021 0.000 0.286 329 G HA3 0.779 4.751 3.960 0.021 0.000 0.286 329 G C -0.604 174.597 174.900 0.501 0.000 1.364 329 G CA -0.751 44.563 45.100 0.357 0.000 0.938 329 G HN 0.380 nan 8.290 nan 0.000 0.490 330 L N -0.264 121.235 121.223 0.461 0.000 2.682 330 L HA 0.666 5.018 4.340 0.021 0.000 0.209 330 L C 1.049 178.128 176.870 0.348 0.000 1.195 330 L CA -0.490 54.581 54.840 0.384 0.000 0.869 330 L CB 0.913 43.156 42.059 0.306 0.000 1.599 330 L HN 0.735 nan 8.230 nan 0.000 0.518 331 S N -2.438 113.280 115.700 0.030 0.000 2.671 331 S HA 0.440 4.922 4.470 0.021 0.000 0.277 331 S C -2.593 171.516 174.600 -0.818 0.000 1.165 331 S CA -1.078 56.858 58.200 -0.441 0.000 0.822 331 S CB 1.484 64.576 63.200 -0.180 0.000 1.150 331 S HN 0.277 nan 8.310 nan 0.000 0.479 332 P HA 0.114 nan 4.420 nan 0.000 0.251 332 P C -0.445 176.563 177.300 -0.487 0.000 1.251 332 P CA 0.470 62.987 63.100 -0.972 0.000 0.763 332 P CB -0.499 30.316 31.700 -1.476 0.000 1.067 333 D N 0.326 120.542 120.400 -0.306 0.000 2.346 333 D HA 0.008 4.660 4.640 0.021 0.000 0.260 333 D C 1.226 177.492 176.300 -0.056 0.000 1.252 333 D CA 0.058 54.010 54.000 -0.080 0.000 0.895 333 D CB 0.565 41.354 40.800 -0.018 0.000 1.097 333 D HN -0.009 nan 8.370 nan 0.000 0.489 334 R N 3.167 123.665 120.500 -0.004 0.000 2.105 334 R HA -0.145 4.208 4.340 0.021 0.000 0.239 334 R C 2.040 178.366 176.300 0.043 0.000 1.135 334 R CA 1.131 57.248 56.100 0.028 0.000 0.967 334 R CB -0.058 30.274 30.300 0.053 0.000 0.861 334 R HN 0.554 nan 8.270 nan 0.000 0.442 335 M N 0.174 119.818 119.600 0.072 0.000 2.117 335 M HA -0.147 4.346 4.480 0.021 0.000 0.262 335 M C 2.286 178.580 176.300 -0.010 0.000 1.065 335 M CA 1.225 56.585 55.300 0.100 0.000 1.114 335 M CB -0.771 31.959 32.600 0.218 0.000 1.361 335 M HN 0.165 nan 8.290 nan 0.000 0.408 336 L N 0.747 121.843 121.223 -0.212 0.000 2.056 336 L HA -0.108 4.245 4.340 0.021 0.000 0.207 336 L C 2.165 178.932 176.870 -0.171 0.000 1.078 336 L CA 1.593 56.131 54.840 -0.503 0.000 0.749 336 L CB -0.751 40.831 42.059 -0.794 0.000 0.901 336 L HN 0.213 nan 8.230 nan 0.000 0.433 337 L N -0.866 120.320 121.223 -0.061 0.000 2.083 337 L HA -0.110 4.242 4.340 0.021 0.000 0.209 337 L C 2.511 179.428 176.870 0.078 0.000 1.083 337 L CA 1.160 56.025 54.840 0.042 0.000 0.752 337 L CB -1.449 40.657 42.059 0.078 0.000 0.899 337 L HN 0.453 nan 8.230 nan 0.000 0.433 338 G N -0.054 108.789 108.800 0.072 0.000 2.402 338 G HA2 -0.213 3.759 3.960 0.021 0.000 0.216 338 G HA3 -0.213 3.759 3.960 0.021 0.000 0.216 338 G C 1.737 176.736 174.900 0.165 0.000 1.162 338 G CA 0.295 45.471 45.100 0.127 0.000 0.777 338 G HN 0.289 nan 8.290 nan 0.000 0.539 339 R N 0.522 121.077 120.500 0.091 0.000 2.152 339 R HA 0.054 4.407 4.340 0.021 0.000 0.232 339 R C 2.913 179.298 176.300 0.142 0.000 1.117 339 R CA 0.900 57.092 56.100 0.154 0.000 0.981 339 R CB -0.283 30.044 30.300 0.045 0.000 0.870 339 R HN 0.348 nan 8.270 nan 0.000 0.451 340 A N 0.667 123.548 122.820 0.101 0.000 1.972 340 A HA -0.184 4.149 4.320 0.021 0.000 0.219 340 A C 1.846 179.534 177.584 0.174 0.000 1.169 340 A CA 1.070 53.169 52.037 0.103 0.000 0.635 340 A CB -0.419 18.643 19.000 0.104 0.000 0.810 340 A HN 0.410 nan 8.150 nan 0.000 0.446 341 F N 0.369 120.375 119.950 0.093 0.000 2.262 341 F HA 0.283 4.823 4.527 0.022 0.000 0.292 341 F C 2.326 178.215 175.800 0.148 0.000 1.081 341 F CA 0.838 58.900 58.000 0.104 0.000 1.355 341 F CB -0.461 38.583 39.000 0.074 0.000 1.069 341 F HN 0.185 nan 8.300 nan 0.000 0.506 342 A N -0.550 122.188 122.820 -0.136 0.000 1.968 342 A HA -0.105 4.228 4.320 0.021 0.000 0.217 342 A C 1.908 179.352 177.584 -0.232 0.000 1.169 342 A CA 1.388 53.236 52.037 -0.314 0.000 0.638 342 A CB -1.311 17.658 19.000 -0.052 0.000 0.812 342 A HN 0.519 nan 8.150 nan 0.000 0.446 343 Y N -1.086 119.114 120.300 -0.167 0.000 2.153 343 Y HA -0.129 4.434 4.550 0.022 0.000 0.289 343 Y C 2.469 178.313 175.900 -0.092 0.000 1.127 343 Y CA 1.546 59.590 58.100 -0.094 0.000 1.131 343 Y CB -1.062 37.375 38.460 -0.039 0.000 0.995 343 Y HN 0.577 nan 8.280 nan 0.000 0.505 344 H N -0.092 118.983 119.070 0.008 0.000 2.352 344 H HA -0.181 4.393 4.556 0.030 0.000 0.299 344 H C 1.899 177.154 175.328 -0.120 0.000 1.097 344 H CA 2.118 58.134 56.048 -0.053 0.000 1.311 344 H CB -0.354 29.376 29.762 -0.052 0.000 1.377 344 H HN 0.371 nan 8.280 nan 0.000 0.504 345 D N -0.454 119.794 120.400 -0.253 0.000 2.097 345 D HA -0.144 4.508 4.640 0.021 0.000 0.195 345 D C 2.253 178.433 176.300 -0.201 0.000 0.989 345 D CA 1.689 55.501 54.000 -0.313 0.000 0.827 345 D CB -0.473 39.957 40.800 -0.616 0.000 0.966 345 D HN 0.482 nan 8.370 nan 0.000 0.456 346 A N -0.232 122.480 122.820 -0.180 0.000 1.933 346 A HA -0.209 4.124 4.320 0.021 0.000 0.218 346 A C 2.169 179.733 177.584 -0.033 0.000 1.175 346 A CA 1.655 53.643 52.037 -0.080 0.000 0.628 346 A CB -0.663 18.272 19.000 -0.109 0.000 0.814 346 A HN 0.382 nan 8.150 nan 0.000 0.444 347 Q N -0.463 119.276 119.800 -0.102 0.000 2.230 347 Q HA 0.071 4.424 4.340 0.021 0.000 0.202 347 Q C 1.897 177.818 176.000 -0.131 0.000 0.963 347 Q CA 0.836 56.575 55.803 -0.106 0.000 0.866 347 Q CB -0.247 28.422 28.738 -0.114 0.000 0.931 347 Q HN 0.681 nan 8.270 nan 0.000 0.452 348 L N -0.668 120.444 121.223 -0.186 0.000 2.083 348 L HA -0.209 4.144 4.340 0.021 0.000 0.209 348 L C 2.235 179.093 176.870 -0.021 0.000 1.083 348 L CA 1.288 56.043 54.840 -0.142 0.000 0.752 348 L CB -0.447 41.510 42.059 -0.169 0.000 0.899 348 L HN 0.309 nan 8.230 nan 0.000 0.433 349 Y N 0.612 120.852 120.300 -0.100 0.000 2.231 349 Y HA -0.144 4.411 4.550 0.008 0.000 0.294 349 Y C 2.866 178.740 175.900 -0.043 0.000 1.120 349 Y CA 1.295 59.360 58.100 -0.059 0.000 1.141 349 Y CB -0.163 38.266 38.460 -0.053 0.000 1.022 349 Y HN -0.074 nan 8.280 nan 0.000 0.523 350 R N -0.519 119.918 120.500 -0.104 0.000 2.066 350 R HA -0.089 4.263 4.340 0.021 0.000 0.232 350 R C 1.491 177.693 176.300 -0.162 0.000 1.131 350 R CA 2.174 58.167 56.100 -0.178 0.000 0.955 350 R CB -0.225 30.050 30.300 -0.042 0.000 0.851 350 R HN 0.355 nan 8.270 nan 0.000 0.432 351 V N -1.725 118.126 119.914 -0.106 0.000 2.854 351 V HA 0.421 4.554 4.120 0.021 0.000 0.236 351 V C 0.755 176.828 176.094 -0.035 0.000 1.157 351 V CA 0.697 62.960 62.300 -0.062 0.000 1.187 351 V CB 0.889 32.678 31.823 -0.058 0.000 0.949 351 V HN 0.622 nan 8.190 nan 0.000 0.488 352 G N -1.328 107.446 108.800 -0.044 0.000 2.350 352 G HA2 0.430 4.403 3.960 0.021 0.000 0.304 352 G HA3 0.430 4.403 3.960 0.021 0.000 0.304 352 G C 0.265 175.136 174.900 -0.048 0.000 1.421 352 G CA 0.042 45.130 45.100 -0.020 0.000 0.934 352 G HN 0.403 nan 8.290 nan 0.000 0.632 353 A N -0.573 122.206 122.820 -0.069 0.000 1.940 353 A HA -0.004 4.329 4.320 0.021 0.000 0.219 353 A C 1.414 178.851 177.584 -0.244 0.000 1.176 353 A CA 2.009 53.935 52.037 -0.186 0.000 0.631 353 A CB -0.446 18.404 19.000 -0.250 0.000 0.814 353 A HN 0.711 nan 8.150 nan 0.000 0.446 354 H N -0.713 118.386 119.070 0.049 0.000 2.605 354 H HA 0.192 4.760 4.556 0.020 0.000 0.308 354 H C 1.663 177.045 175.328 0.091 0.000 1.080 354 H CA 0.442 56.552 56.048 0.103 0.000 1.119 354 H CB 0.088 29.968 29.762 0.197 0.000 1.479 354 H HN 0.270 nan 8.280 nan 0.000 0.537 355 V N 1.026 121.000 119.914 0.101 0.000 2.453 355 V HA -0.271 3.862 4.120 0.021 0.000 0.252 355 V C 1.409 177.536 176.094 0.054 0.000 1.068 355 V CA 1.858 64.187 62.300 0.048 0.000 1.070 355 V CB 0.011 31.817 31.823 -0.028 0.000 0.664 355 V HN 0.427 nan 8.190 nan 0.000 0.461 356 N N -0.279 118.476 118.700 0.091 0.000 2.461 356 N HA 0.013 4.766 4.740 0.021 0.000 0.188 356 N C 1.511 177.076 175.510 0.091 0.000 1.134 356 N CA 0.533 53.629 53.050 0.077 0.000 0.878 356 N CB 0.161 38.702 38.487 0.091 0.000 0.972 356 N HN 0.681 nan 8.380 nan 0.000 0.456 357 Q N -0.177 119.702 119.800 0.132 0.000 2.392 357 Q HA 0.193 4.545 4.340 0.021 0.000 0.203 357 Q C 0.169 176.170 176.000 0.003 0.000 0.917 357 Q CA -0.001 55.858 55.803 0.093 0.000 0.939 357 Q CB 0.725 29.557 28.738 0.157 0.000 1.063 357 Q HN 0.313 nan 8.270 nan 0.000 0.516 358 L N 2.013 123.234 121.223 -0.004 0.000 2.456 358 L HA 0.027 4.380 4.340 0.021 0.000 0.272 358 L C -1.487 175.346 176.870 -0.061 0.000 1.189 358 L CA -1.357 53.442 54.840 -0.069 0.000 0.846 358 L CB 0.144 42.173 42.059 -0.049 0.000 1.111 358 L HN -0.120 nan 8.230 nan 0.000 0.475 359 P HA -0.217 nan 4.420 nan 0.000 0.216 359 P C 1.678 178.964 177.300 -0.024 0.000 1.154 359 P CA 0.962 64.021 63.100 -0.068 0.000 0.865 359 P CB 0.225 31.871 31.700 -0.089 0.000 0.789 360 V N -0.323 119.587 119.914 -0.005 0.000 2.594 360 V HA -0.165 3.967 4.120 0.021 0.000 0.253 360 V C 1.425 177.568 176.094 0.082 0.000 1.069 360 V CA 1.967 64.305 62.300 0.064 0.000 1.082 360 V CB -0.906 30.936 31.823 0.032 0.000 0.680 360 V HN 0.120 nan 8.190 nan 0.000 0.469 361 N N -0.330 118.370 118.700 -0.001 0.000 2.299 361 N HA 0.121 4.873 4.740 0.021 0.000 0.187 361 N C 0.668 176.192 175.510 0.023 0.000 1.099 361 N CA 0.051 53.080 53.050 -0.036 0.000 0.867 361 N CB 0.095 38.535 38.487 -0.079 0.000 0.974 361 N HN 0.476 nan 8.380 nan 0.000 0.477 362 R N 1.784 122.317 120.500 0.055 0.000 2.543 362 R HA 0.202 4.554 4.340 0.021 0.000 0.277 362 R C -2.086 174.283 176.300 0.115 0.000 1.074 362 R CA -1.074 55.059 56.100 0.056 0.000 1.076 362 R CB 0.289 30.600 30.300 0.020 0.000 0.993 362 R HN 0.069 nan 8.270 nan 0.000 0.459 363 P HA 0.114 nan 4.420 nan 0.000 0.276 363 P C -0.307 177.046 177.300 0.089 0.000 1.261 363 P CA -0.374 62.795 63.100 0.117 0.000 0.800 363 P CB 0.838 32.575 31.700 0.062 0.000 1.066 364 K N -0.178 120.281 120.400 0.098 0.000 2.167 364 K HA 0.011 4.344 4.320 0.021 0.000 0.203 364 K C 1.155 177.765 176.600 0.016 0.000 1.052 364 K CA 0.742 57.053 56.287 0.039 0.000 0.956 364 K CB -0.206 32.322 32.500 0.046 0.000 0.735 364 K HN 0.595 nan 8.250 nan 0.000 0.451 365 N N 0.891 119.605 118.700 0.024 0.000 2.413 365 N HA 0.119 4.871 4.740 0.021 0.000 0.266 365 N C -0.672 174.843 175.510 0.009 0.000 1.238 365 N CA -0.268 52.788 53.050 0.009 0.000 0.972 365 N CB 0.645 39.136 38.487 0.006 0.000 1.210 365 N HN -0.145 nan 8.380 nan 0.000 0.547 366 A N 0.337 123.160 122.820 0.005 0.000 2.454 366 A HA 0.368 4.700 4.320 0.021 0.000 0.260 366 A C 0.030 177.634 177.584 0.033 0.000 1.106 366 A CA -0.624 51.420 52.037 0.012 0.000 0.780 366 A CB -0.133 18.870 19.000 0.004 0.000 1.044 366 A HN 0.469 nan 8.150 nan 0.000 0.498 367 V N 3.383 123.320 119.914 0.037 0.000 2.465 367 V HA 0.262 4.394 4.120 0.021 0.000 0.279 367 V C -0.048 176.096 176.094 0.084 0.000 1.045 367 V CA -0.004 62.325 62.300 0.048 0.000 0.938 367 V CB 0.982 32.822 31.823 0.029 0.000 0.986 367 V HN 0.965 nan 8.190 nan 0.000 0.467 368 H N 4.719 123.774 119.070 -0.025 0.000 2.716 368 H HA 0.410 4.980 4.556 0.022 0.000 0.260 368 H C -0.469 174.819 175.328 -0.068 0.000 1.280 368 H CA -0.126 55.891 56.048 -0.051 0.000 1.506 368 H CB 0.389 30.140 29.762 -0.018 0.000 1.514 368 H HN 0.701 nan 8.280 nan 0.000 0.502 369 N N 3.724 122.237 118.700 -0.312 0.000 2.284 369 N HA 0.080 4.832 4.740 0.021 0.000 0.300 369 N C -1.060 174.164 175.510 -0.477 0.000 1.047 369 N CA -0.591 52.324 53.050 -0.226 0.000 0.821 369 N CB 1.215 39.631 38.487 -0.117 0.000 1.337 369 N HN 0.423 nan 8.380 nan 0.000 0.482 370 Y N 1.752 121.921 120.300 -0.218 0.000 2.667 370 Y HA 0.401 4.963 4.550 0.020 0.000 0.340 370 Y C 0.267 175.936 175.900 -0.385 0.000 1.303 370 Y CA -0.183 57.767 58.100 -0.250 0.000 1.769 370 Y CB 0.117 38.601 38.460 0.039 0.000 1.804 370 Y HN 0.460 nan 8.280 nan 0.000 0.451 371 A N 2.216 124.555 122.820 -0.803 0.000 2.427 371 A HA 0.850 5.182 4.320 0.021 0.000 0.298 371 A C -1.482 175.527 177.584 -0.959 0.000 1.036 371 A CA -0.537 51.150 52.037 -0.583 0.000 0.701 371 A CB 0.998 19.840 19.000 -0.265 0.000 1.250 371 A HN 0.324 nan 8.150 nan 0.000 0.412 372 F N 0.657 120.483 119.950 -0.206 0.000 2.626 372 F HA 0.657 5.195 4.527 0.019 0.000 0.311 372 F C 0.505 175.799 175.800 -0.844 0.000 1.088 372 F CA -0.148 57.540 58.000 -0.520 0.000 0.949 372 F CB 1.569 40.453 39.000 -0.195 0.000 1.322 372 F HN 0.928 nan 8.300 nan 0.000 0.461 373 E N 0.352 119.628 120.200 -1.539 0.000 5.214 373 E HA 0.127 4.489 4.350 0.021 0.000 0.185 373 E C 0.008 176.360 176.600 -0.414 0.000 1.449 373 E CA 0.887 56.840 56.400 -0.745 0.000 2.396 373 E CB -1.107 28.462 29.700 -0.219 0.000 2.017 373 E HN 1.615 nan 8.360 nan 0.000 0.486 374 G N 0.054 108.778 108.800 -0.126 0.000 2.699 374 G HA2 -0.174 3.799 3.960 0.021 0.000 0.686 374 G HA3 -0.174 3.799 3.960 0.021 0.000 0.686 374 G C -0.787 174.178 174.900 0.109 0.000 1.301 374 G CA -0.015 45.068 45.100 -0.028 0.000 0.816 374 G HN 0.470 nan 8.290 nan 0.000 0.595 375 Q N 0.385 120.242 119.800 0.096 0.000 2.395 375 Q HA 0.428 4.780 4.340 0.021 0.000 0.271 375 Q C 1.110 177.231 176.000 0.202 0.000 1.026 375 Q CA 0.264 56.138 55.803 0.118 0.000 0.900 375 Q CB 0.238 29.018 28.738 0.071 0.000 1.266 375 Q HN 0.729 nan 8.270 nan 0.000 0.430 376 M N 0.378 120.042 119.600 0.107 0.000 2.249 376 M HA -0.214 4.278 4.480 0.021 0.000 0.198 376 M C -1.287 175.046 176.300 0.054 0.000 0.394 376 M CA 0.620 55.913 55.300 -0.012 0.000 0.427 376 M CB -1.557 31.077 32.600 0.058 0.000 1.307 376 M HN 0.710 nan 8.290 nan 0.000 0.924 377 W N 1.206 122.411 121.300 -0.157 0.000 2.497 377 W HA 0.338 5.010 4.660 0.021 0.000 0.354 377 W C 0.423 176.811 176.519 -0.218 0.000 1.111 377 W CA -0.517 56.628 57.345 -0.332 0.000 1.510 377 W CB -0.307 29.049 29.460 -0.173 0.000 1.466 377 W HN 0.355 nan 8.180 nan 0.000 0.409 378 Y N 1.656 121.893 120.300 -0.106 0.000 2.269 378 Y HA -0.059 4.502 4.550 0.019 0.000 0.294 378 Y C 1.217 176.934 175.900 -0.304 0.000 1.120 378 Y CA 1.328 59.343 58.100 -0.141 0.000 1.159 378 Y CB 0.217 38.632 38.460 -0.075 0.000 1.024 378 Y HN -0.019 nan 8.280 nan 0.000 0.532 379 D N 0.227 120.474 120.400 -0.255 0.000 2.477 379 D HA 0.124 4.777 4.640 0.021 0.000 0.239 379 D C -0.650 175.211 176.300 -0.732 0.000 1.102 379 D CA -0.205 53.566 54.000 -0.382 0.000 0.901 379 D CB -0.048 40.639 40.800 -0.188 0.000 1.026 379 D HN 0.407 nan 8.370 nan 0.000 0.515 380 H N -1.819 116.707 119.070 -0.908 0.000 2.544 380 H HA 0.380 4.947 4.556 0.019 0.000 0.365 380 H C 0.971 175.990 175.328 -0.516 0.000 1.268 380 H CA -0.549 54.664 56.048 -1.390 0.000 1.400 380 H CB 0.506 29.458 29.762 -1.350 0.000 1.538 380 H HN 0.008 nan 8.280 nan 0.000 0.597 381 T N -1.775 112.774 114.554 -0.010 0.000 3.186 381 T HA 0.382 4.745 4.350 0.021 0.000 0.257 381 T C 1.238 176.084 174.700 0.243 0.000 1.029 381 T CA -0.112 62.109 62.100 0.201 0.000 0.916 381 T CB -0.917 68.224 68.868 0.455 0.000 1.041 381 T HN 1.097 nan 8.240 nan 0.000 0.562 382 G N 3.232 112.262 108.800 0.383 0.000 2.634 382 G HA2 -0.384 3.588 3.960 0.021 0.000 0.309 382 G HA3 -0.384 3.588 3.960 0.021 0.000 0.309 382 G C 0.342 175.327 174.900 0.142 0.000 1.265 382 G CA 0.521 45.764 45.100 0.238 0.000 0.998 382 G HN 0.709 nan 8.290 nan 0.000 0.551 383 D N 0.881 121.342 120.400 0.102 0.000 2.395 383 D HA 0.159 4.812 4.640 0.021 0.000 0.226 383 D C 1.026 177.371 176.300 0.076 0.000 1.146 383 D CA -0.205 53.839 54.000 0.073 0.000 0.830 383 D CB -0.228 40.604 40.800 0.053 0.000 0.958 383 D HN 0.610 nan 8.370 nan 0.000 0.501 384 R N 0.589 121.153 120.500 0.107 0.000 2.640 384 R HA 0.116 4.468 4.340 0.021 0.000 0.270 384 R C 0.103 176.431 176.300 0.047 0.000 1.024 384 R CA 0.103 56.270 56.100 0.111 0.000 1.085 384 R CB 0.446 30.848 30.300 0.169 0.000 0.963 384 R HN 0.048 nan 8.270 nan 0.000 0.426 385 S N 1.011 116.734 115.700 0.037 0.000 2.558 385 S HA -0.041 4.441 4.470 0.021 0.000 0.288 385 S C 1.210 175.778 174.600 -0.054 0.000 1.318 385 S CA 0.042 58.203 58.200 -0.064 0.000 1.056 385 S CB 0.985 64.048 63.200 -0.229 0.000 0.853 385 S HN 0.761 nan 8.310 nan 0.000 0.505 386 T N -0.646 113.834 114.554 -0.124 0.000 3.105 386 T HA 0.302 4.664 4.350 0.021 0.000 0.253 386 T C -0.179 174.646 174.700 0.208 0.000 1.047 386 T CA -0.231 61.743 62.100 -0.210 0.000 0.944 386 T CB -0.591 68.006 68.868 -0.451 0.000 1.016 386 T HN 0.671 nan 8.240 nan 0.000 0.544 387 Y N -0.534 119.828 120.300 0.103 0.000 2.625 387 Y HA 0.786 5.348 4.550 0.020 0.000 0.338 387 Y C -1.255 174.531 175.900 -0.190 0.000 1.123 387 Y CA -2.192 55.879 58.100 -0.047 0.000 1.046 387 Y CB 1.358 39.769 38.460 -0.082 0.000 1.299 387 Y HN 0.156 nan 8.280 nan 0.000 0.464 388 V N -0.867 118.851 119.914 -0.326 0.000 3.049 388 V HA 0.841 4.973 4.120 0.021 0.000 0.309 388 V C -2.907 172.831 176.094 -0.593 0.000 1.148 388 V CA -2.247 59.614 62.300 -0.732 0.000 0.990 388 V CB 1.211 32.444 31.823 -0.984 0.000 1.039 388 V HN 0.802 nan 8.190 nan 0.000 0.430 389 P HA 0.408 nan 4.420 nan 0.000 0.270 389 P C -1.108 175.807 177.300 -0.643 0.000 1.223 389 P CA 0.038 62.315 63.100 -1.372 0.000 0.785 389 P CB 0.198 31.433 31.700 -0.776 0.000 0.923 390 N N -2.301 116.049 118.700 -0.582 0.000 2.405 390 N HA 0.418 5.170 4.740 0.021 0.000 0.285 390 N C -0.639 174.915 175.510 0.074 0.000 1.262 390 N CA -0.870 52.074 53.050 -0.176 0.000 0.773 390 N CB 1.072 39.265 38.487 -0.489 0.000 1.490 390 N HN -0.002 nan 8.380 nan 0.000 0.486 391 S N -0.424 115.347 115.700 0.119 0.000 2.583 391 S HA 0.207 4.689 4.470 0.021 0.000 0.239 391 S C 0.001 174.673 174.600 0.120 0.000 0.966 391 S CA -0.539 57.741 58.200 0.134 0.000 0.973 391 S CB -0.680 62.588 63.200 0.113 0.000 0.794 391 S HN 0.533 nan 8.310 nan 0.000 0.463 392 N N 0.961 119.731 118.700 0.116 0.000 2.184 392 N HA 0.179 4.932 4.740 0.021 0.000 0.206 392 N C 1.113 176.686 175.510 0.105 0.000 1.151 392 N CA 0.528 53.636 53.050 0.097 0.000 0.878 392 N CB 0.938 39.470 38.487 0.075 0.000 1.014 392 N HN 0.476 nan 8.380 nan 0.000 0.512 393 G N 1.125 110.007 108.800 0.137 0.000 2.136 393 G HA2 -0.205 3.768 3.960 0.021 0.000 0.242 393 G HA3 -0.205 3.768 3.960 0.021 0.000 0.242 393 G C -0.796 174.184 174.900 0.133 0.000 0.989 393 G CA -0.179 44.989 45.100 0.112 0.000 0.682 393 G HN 0.236 nan 8.290 nan 0.000 0.522 394 D N 1.411 121.943 120.400 0.220 0.000 2.359 394 D HA 0.477 5.130 4.640 0.021 0.000 0.230 394 D C 1.014 177.589 176.300 0.457 0.000 1.118 394 D CA 0.570 54.749 54.000 0.298 0.000 0.844 394 D CB 1.396 42.372 40.800 0.294 0.000 1.059 394 D HN 0.497 nan 8.370 nan 0.000 0.493 395 S N 2.168 118.044 115.700 0.294 0.000 2.589 395 S HA 0.518 5.001 4.470 0.021 0.000 0.265 395 S C -0.220 174.703 174.600 0.539 0.000 1.342 395 S CA -0.537 57.740 58.200 0.128 0.000 1.005 395 S CB 0.759 63.865 63.200 -0.157 0.000 0.909 395 S HN 0.603 nan 8.310 nan 0.000 0.555 396 W N -0.646 120.787 121.300 0.221 0.000 3.018 396 W HA 0.776 5.448 4.660 0.020 0.000 0.352 396 W C -1.347 175.233 176.519 0.103 0.000 1.230 396 W CA -0.976 56.485 57.345 0.194 0.000 1.162 396 W CB 0.566 30.012 29.460 -0.025 0.000 1.483 396 W HN 0.547 nan 8.180 nan 0.000 0.584 397 S N 0.889 116.743 115.700 0.257 0.000 2.525 397 S HA 0.410 4.893 4.470 0.021 0.000 0.290 397 S C -1.240 173.490 174.600 0.216 0.000 1.152 397 S CA -0.337 57.938 58.200 0.124 0.000 1.072 397 S CB 1.294 64.564 63.200 0.115 0.000 1.027 397 S HN 0.490 nan 8.310 nan 0.000 0.500 398 D N 1.457 121.927 120.400 0.117 0.000 3.453 398 D HA 0.076 4.729 4.640 0.021 0.000 0.312 398 D C -0.919 175.421 176.300 0.065 0.000 1.349 398 D CA -0.253 53.834 54.000 0.145 0.000 0.739 398 D CB 0.207 41.166 40.800 0.263 0.000 1.312 398 D HN 0.309 nan 8.370 nan 0.000 0.628 399 E N 0.625 120.847 120.200 0.037 0.000 2.316 399 E HA 0.295 4.658 4.350 0.021 0.000 0.275 399 E C 0.438 177.047 176.600 0.015 0.000 1.029 399 E CA 0.091 56.500 56.400 0.014 0.000 0.871 399 E CB 1.145 30.846 29.700 0.001 0.000 1.022 399 E HN 0.400 nan 8.360 nan 0.000 0.418 400 T N -0.840 113.719 114.554 0.009 0.000 2.912 400 T HA 0.770 5.132 4.350 0.021 0.000 0.288 400 T C 0.495 175.191 174.700 -0.006 0.000 1.030 400 T CA -0.165 61.938 62.100 0.005 0.000 1.020 400 T CB 2.053 70.927 68.868 0.010 0.000 1.056 400 T HN 0.657 nan 8.240 nan 0.000 0.480 401 G N 1.732 110.525 108.800 -0.011 0.000 2.566 401 G HA2 0.122 4.095 3.960 0.021 0.000 0.599 401 G HA3 0.122 4.095 3.960 0.021 0.000 0.599 401 G C -2.811 172.072 174.900 -0.029 0.000 1.292 401 G CA -0.981 44.108 45.100 -0.018 0.000 0.922 401 G HN 0.906 nan 8.290 nan 0.000 0.514 402 P HA 0.402 nan 4.420 nan 0.000 0.264 402 P C 0.610 177.881 177.300 -0.049 0.000 1.183 402 P CA 0.061 63.134 63.100 -0.046 0.000 0.763 402 P CB 0.738 32.414 31.700 -0.040 0.000 0.807 403 V N -0.052 119.824 119.914 -0.063 0.000 2.953 403 V HA 0.203 4.335 4.120 0.021 0.000 0.304 403 V C 1.156 177.219 176.094 -0.051 0.000 1.073 403 V CA -0.348 61.919 62.300 -0.055 0.000 1.064 403 V CB 1.192 32.977 31.823 -0.064 0.000 1.047 403 V HN 0.586 nan 8.190 nan 0.000 0.478 404 D N 1.490 121.868 120.400 -0.038 0.000 2.269 404 D HA -0.148 4.504 4.640 0.021 0.000 0.208 404 D C 0.739 177.026 176.300 -0.022 0.000 0.963 404 D CA 1.221 55.197 54.000 -0.039 0.000 0.864 404 D CB -0.328 40.450 40.800 -0.037 0.000 0.936 404 D HN 0.855 nan 8.370 nan 0.000 0.505 405 D N -0.120 120.284 120.400 0.007 0.000 2.755 405 D HA 0.298 4.950 4.640 0.021 0.000 0.257 405 D C 0.657 177.024 176.300 0.111 0.000 1.291 405 D CA -0.758 53.292 54.000 0.083 0.000 0.836 405 D CB 0.011 40.883 40.800 0.119 0.000 1.059 405 D HN 0.158 nan 8.370 nan 0.000 0.486 406 G N -0.347 108.467 108.800 0.024 0.000 2.820 406 G HA2 0.707 4.679 3.960 0.021 0.000 0.291 406 G HA3 0.707 4.679 3.960 0.021 0.000 0.291 406 G C -1.184 173.835 174.900 0.197 0.000 1.323 406 G CA -0.978 44.049 45.100 -0.121 0.000 1.055 406 G HN 0.316 nan 8.290 nan 0.000 0.520 407 W N -2.113 119.269 121.300 0.136 0.000 2.895 407 W HA 0.730 5.401 4.660 0.020 0.000 0.377 407 W C -1.390 175.217 176.519 0.148 0.000 1.191 407 W CA -1.045 56.442 57.345 0.237 0.000 1.179 407 W CB 0.720 30.395 29.460 0.359 0.000 1.469 407 W HN 0.506 nan 8.180 nan 0.000 0.577 408 E N 1.150 121.614 120.200 0.441 0.000 2.222 408 E HA 0.773 5.136 4.350 0.021 0.000 0.272 408 E C -0.606 176.161 176.600 0.277 0.000 0.982 408 E CA -0.610 55.937 56.400 0.245 0.000 0.842 408 E CB 1.812 31.639 29.700 0.212 0.000 1.144 408 E HN 0.765 nan 8.360 nan 0.000 0.397 409 A N 1.724 124.635 122.820 0.150 0.000 2.572 409 A HA 0.720 5.053 4.320 0.021 0.000 0.295 409 A C -1.704 175.925 177.584 0.075 0.000 1.072 409 A CA -0.850 51.264 52.037 0.129 0.000 0.691 409 A CB 1.333 20.410 19.000 0.130 0.000 1.291 409 A HN 0.739 nan 8.150 nan 0.000 0.404 410 D N -0.758 119.680 120.400 0.062 0.000 2.886 410 D HA 0.665 5.317 4.640 0.021 0.000 0.216 410 D C -0.294 176.028 176.300 0.036 0.000 1.256 410 D CA 0.262 54.288 54.000 0.044 0.000 0.844 410 D CB 1.443 42.269 40.800 0.043 0.000 1.669 410 D HN 1.636 nan 8.370 nan 0.000 0.513 411 G N -0.210 108.607 108.800 0.028 0.000 2.341 411 G HA2 0.412 4.384 3.960 0.021 0.000 0.293 411 G HA3 0.412 4.384 3.960 0.021 0.000 0.293 411 G C -1.328 173.584 174.900 0.020 0.000 1.298 411 G CA -0.465 44.650 45.100 0.024 0.000 0.868 411 G HN 0.660 nan 8.290 nan 0.000 0.540 412 T N -0.060 114.505 114.554 0.018 0.000 2.928 412 T HA 0.603 4.966 4.350 0.021 0.000 0.284 412 T C 0.654 175.363 174.700 0.016 0.000 1.008 412 T CA -0.525 61.584 62.100 0.015 0.000 1.057 412 T CB 0.494 69.370 68.868 0.013 0.000 1.018 412 T HN 0.532 nan 8.240 nan 0.000 0.493 413 L N 3.537 124.768 121.223 0.014 0.000 2.534 413 L HA 0.342 4.694 4.340 0.021 0.000 0.271 413 L C 0.767 177.646 176.870 0.015 0.000 1.178 413 L CA 0.116 54.965 54.840 0.014 0.000 0.907 413 L CB 0.494 42.559 42.059 0.010 0.000 1.164 413 L HN 0.636 nan 8.230 nan 0.000 0.482 414 T N 3.815 118.379 114.554 0.018 0.000 2.868 414 T HA 0.496 4.858 4.350 0.021 0.000 0.306 414 T C -0.893 173.820 174.700 0.022 0.000 1.224 414 T CA -0.809 61.302 62.100 0.018 0.000 1.012 414 T CB 1.341 70.219 68.868 0.018 0.000 1.221 414 T HN 0.593 nan 8.240 nan 0.000 0.499 415 R N 2.823 123.336 120.500 0.023 0.000 2.358 415 R HA 0.530 4.882 4.340 0.021 0.000 0.309 415 R C -0.618 175.697 176.300 0.026 0.000 1.026 415 R CA -0.640 55.477 56.100 0.028 0.000 0.909 415 R CB 1.082 31.400 30.300 0.030 0.000 1.153 415 R HN 0.795 nan 8.270 nan 0.000 0.515 416 E N 1.356 121.572 120.200 0.027 0.000 2.437 416 E HA 0.559 4.922 4.350 0.021 0.000 0.280 416 E C -1.368 175.246 176.600 0.024 0.000 1.044 416 E CA -1.179 55.234 56.400 0.023 0.000 0.826 416 E CB 1.066 30.777 29.700 0.018 0.000 1.358 416 E HN 0.352 nan 8.360 nan 0.000 0.459 417 A N 1.358 124.190 122.820 0.019 0.000 2.425 417 A HA 0.200 4.532 4.320 0.021 0.000 0.242 417 A C -0.078 177.515 177.584 0.016 0.000 1.077 417 A CA -0.146 51.901 52.037 0.018 0.000 0.781 417 A CB 0.042 19.048 19.000 0.009 0.000 1.020 417 A HN 0.535 nan 8.150 nan 0.000 0.494 418 Q N 0.412 120.223 119.800 0.018 0.000 2.349 418 Q HA 0.402 4.754 4.340 0.021 0.000 0.287 418 Q C 0.530 176.535 176.000 0.009 0.000 1.044 418 Q CA 0.846 56.658 55.803 0.016 0.000 0.918 418 Q CB 0.444 29.195 28.738 0.021 0.000 1.242 418 Q HN 0.893 nan 8.270 nan 0.000 0.405 419 A N 2.885 125.710 122.820 0.008 0.000 2.498 419 A HA 0.237 4.570 4.320 0.021 0.000 0.239 419 A C -0.480 177.102 177.584 -0.004 0.000 1.068 419 A CA -0.358 51.680 52.037 0.002 0.000 0.766 419 A CB 0.044 19.046 19.000 0.003 0.000 1.003 419 A HN 0.696 nan 8.150 nan 0.000 0.497 420 L N 3.462 124.678 121.223 -0.012 0.000 2.331 420 L HA 0.255 4.608 4.340 0.021 0.000 0.278 420 L C 0.810 177.659 176.870 -0.035 0.000 1.106 420 L CA -0.717 54.111 54.840 -0.021 0.000 0.824 420 L CB 0.314 42.360 42.059 -0.022 0.000 1.142 420 L HN 0.746 nan 8.230 nan 0.000 0.443 421 R N 2.046 122.518 120.500 -0.048 0.000 2.652 421 R HA 0.225 4.578 4.340 0.021 0.000 0.271 421 R C 1.160 177.389 176.300 -0.118 0.000 1.129 421 R CA 0.194 56.242 56.100 -0.087 0.000 1.200 421 R CB 0.116 30.345 30.300 -0.118 0.000 1.146 421 R HN 0.775 nan 8.270 nan 0.000 0.581 422 A N 0.719 123.439 122.820 -0.166 0.000 1.927 422 A HA -0.197 4.135 4.320 0.021 0.000 0.220 422 A C 0.785 178.251 177.584 -0.196 0.000 1.185 422 A CA 2.017 53.950 52.037 -0.175 0.000 0.639 422 A CB -0.186 18.690 19.000 -0.206 0.000 0.820 422 A HN 0.616 nan 8.150 nan 0.000 0.451 423 D N -0.158 120.061 120.400 -0.301 0.000 2.440 423 D HA 0.136 4.788 4.640 0.021 0.000 0.216 423 D C -0.768 175.508 176.300 -0.040 0.000 1.150 423 D CA -0.232 53.599 54.000 -0.282 0.000 0.832 423 D CB 0.044 40.444 40.800 -0.667 0.000 0.992 423 D HN 0.275 nan 8.370 nan 0.000 0.502 424 D N 2.170 122.566 120.400 -0.007 0.000 2.390 424 D HA 0.182 4.835 4.640 0.021 0.000 0.249 424 D C 0.506 176.819 176.300 0.023 0.000 1.144 424 D CA 0.599 54.643 54.000 0.073 0.000 0.880 424 D CB 1.234 42.047 40.800 0.022 0.000 1.182 424 D HN 0.177 nan 8.370 nan 0.000 0.451 425 D N 0.355 120.760 120.400 0.008 0.000 2.779 425 D HA 0.086 4.738 4.640 0.021 0.000 0.331 425 D C -0.269 175.945 176.300 -0.142 0.000 1.331 425 D CA -0.386 53.590 54.000 -0.041 0.000 0.866 425 D CB 0.608 41.412 40.800 0.007 0.000 1.409 425 D HN -0.036 nan 8.370 nan 0.000 0.486 426 D N -1.055 119.176 120.400 -0.282 0.000 2.305 426 D HA 0.174 4.827 4.640 0.021 0.000 0.206 426 D C 0.937 176.778 176.300 -0.765 0.000 0.974 426 D CA 0.691 54.325 54.000 -0.611 0.000 0.871 426 D CB 0.188 40.417 40.800 -0.952 0.000 0.947 426 D HN 0.302 nan 8.370 nan 0.000 0.516 427 F N -0.494 119.356 119.950 -0.167 0.000 2.740 427 F HA 0.265 4.804 4.527 0.021 0.000 0.304 427 F C 2.355 178.040 175.800 -0.191 0.000 1.098 427 F CA -0.199 57.679 58.000 -0.202 0.000 1.258 427 F CB 0.112 39.000 39.000 -0.186 0.000 1.061 427 F HN -0.099 nan 8.300 nan 0.000 0.598 428 G N 0.079 108.871 108.800 -0.014 0.000 2.418 428 G HA2 -0.206 3.766 3.960 0.021 0.000 0.217 428 G HA3 -0.206 3.766 3.960 0.021 0.000 0.217 428 G C 1.470 176.271 174.900 -0.164 0.000 1.158 428 G CA 0.667 45.738 45.100 -0.048 0.000 0.771 428 G HN 0.293 nan 8.290 nan 0.000 0.545 429 Q N 0.090 119.692 119.800 -0.331 0.000 2.119 429 Q HA 0.062 4.415 4.340 0.021 0.000 0.201 429 Q C 3.024 178.663 176.000 -0.602 0.000 0.972 429 Q CA 0.960 56.423 55.803 -0.567 0.000 0.847 429 Q CB -0.216 27.961 28.738 -0.934 0.000 0.903 429 Q HN 0.474 nan 8.270 nan 0.000 0.433 430 A N 1.078 123.594 122.820 -0.507 0.000 1.933 430 A HA -0.132 4.200 4.320 0.021 0.000 0.218 430 A C 2.270 179.751 177.584 -0.172 0.000 1.175 430 A CA 1.675 53.571 52.037 -0.235 0.000 0.628 430 A CB -1.146 17.812 19.000 -0.069 0.000 0.814 430 A HN 0.478 nan 8.150 nan 0.000 0.444 431 G N -1.261 107.458 108.800 -0.136 0.000 2.418 431 G HA2 -0.169 3.804 3.960 0.021 0.000 0.217 431 G HA3 -0.169 3.804 3.960 0.021 0.000 0.217 431 G C 1.578 176.375 174.900 -0.172 0.000 1.158 431 G CA 1.636 46.672 45.100 -0.107 0.000 0.771 431 G HN 0.425 nan 8.290 nan 0.000 0.545 432 T N 0.867 115.308 114.554 -0.189 0.000 2.821 432 T HA -0.075 4.287 4.350 0.021 0.000 0.267 432 T C 2.236 176.793 174.700 -0.238 0.000 1.046 432 T CA 1.013 63.009 62.100 -0.173 0.000 1.139 432 T CB -0.198 68.581 68.868 -0.148 0.000 0.871 432 T HN 0.106 nan 8.240 nan 0.000 0.454 433 L N 1.293 122.329 121.223 -0.311 0.000 1.989 433 L HA -0.049 4.304 4.340 0.021 0.000 0.211 433 L C 2.460 178.815 176.870 -0.858 0.000 1.071 433 L CA 1.660 56.209 54.840 -0.486 0.000 0.749 433 L CB -0.888 40.926 42.059 -0.409 0.000 0.890 433 L HN 0.081 nan 8.230 nan 0.000 0.431 434 V N -0.331 119.128 119.914 -0.759 0.000 2.358 434 V HA -0.238 3.894 4.120 0.021 0.000 0.246 434 V C 2.717 178.601 176.094 -0.350 0.000 1.047 434 V CA 1.965 63.823 62.300 -0.736 0.000 1.035 434 V CB -0.571 30.993 31.823 -0.432 0.000 0.658 434 V HN 0.436 nan 8.190 nan 0.000 0.452 435 R N -0.633 119.725 120.500 -0.236 0.000 2.080 435 R HA -0.017 4.336 4.340 0.021 0.000 0.222 435 R C 2.150 178.394 176.300 -0.093 0.000 1.107 435 R CA 1.027 57.055 56.100 -0.120 0.000 0.980 435 R CB -0.003 30.243 30.300 -0.091 0.000 0.879 435 R HN 0.471 nan 8.270 nan 0.000 0.439 436 E N -0.446 119.682 120.200 -0.120 0.000 2.330 436 E HA 0.034 4.397 4.350 0.021 0.000 0.200 436 E C 1.983 178.548 176.600 -0.058 0.000 0.922 436 E CA 0.504 56.859 56.400 -0.074 0.000 0.935 436 E CB 0.390 30.049 29.700 -0.069 0.000 0.917 436 E HN 0.051 nan 8.360 nan 0.000 0.491 437 V N 1.062 120.915 119.914 -0.101 0.000 2.436 437 V HA 0.033 4.166 4.120 0.021 0.000 0.240 437 V C 0.842 176.999 176.094 0.105 0.000 1.040 437 V CA 0.481 62.762 62.300 -0.031 0.000 1.052 437 V CB -0.217 31.560 31.823 -0.076 0.000 0.707 437 V HN 0.021 nan 8.190 nan 0.000 0.469 438 F N 2.429 122.330 119.950 -0.082 0.000 2.595 438 F HA 0.240 4.779 4.527 0.020 0.000 0.359 438 F C 1.243 177.009 175.800 -0.057 0.000 1.147 438 F CA -0.514 57.435 58.000 -0.084 0.000 1.341 438 F CB -0.097 38.824 39.000 -0.131 0.000 1.104 438 F HN 0.182 nan 8.300 nan 0.000 0.603 439 S N 1.106 116.888 115.700 0.136 0.000 2.655 439 S HA 0.159 4.641 4.470 0.021 0.000 0.265 439 S C 0.840 175.472 174.600 0.054 0.000 1.240 439 S CA -0.665 57.572 58.200 0.063 0.000 0.986 439 S CB 0.906 64.120 63.200 0.024 0.000 0.985 439 S HN 0.512 nan 8.310 nan 0.000 0.562 440 D N 0.379 120.799 120.400 0.033 0.000 2.123 440 D HA -0.121 4.532 4.640 0.021 0.000 0.196 440 D C 1.915 178.224 176.300 0.015 0.000 0.992 440 D CA 1.665 55.681 54.000 0.027 0.000 0.833 440 D CB -0.458 40.352 40.800 0.017 0.000 0.954 440 D HN 0.691 nan 8.370 nan 0.000 0.455 441 Q N 0.984 120.785 119.800 0.001 0.000 2.124 441 Q HA -0.133 4.219 4.340 0.021 0.000 0.202 441 Q C 1.738 177.715 176.000 -0.038 0.000 0.977 441 Q CA 1.475 57.270 55.803 -0.013 0.000 0.850 441 Q CB -0.115 28.615 28.738 -0.015 0.000 0.901 441 Q HN 0.340 nan 8.270 nan 0.000 0.429 442 E N -0.526 119.629 120.200 -0.075 0.000 2.110 442 E HA -0.153 4.209 4.350 0.021 0.000 0.193 442 E C 2.151 178.659 176.600 -0.154 0.000 0.988 442 E CA 0.815 57.092 56.400 -0.204 0.000 0.804 442 E CB -0.063 29.407 29.700 -0.383 0.000 0.745 442 E HN 0.274 nan 8.360 nan 0.000 0.458 443 R N 0.727 121.224 120.500 -0.005 0.000 2.081 443 R HA -0.134 4.219 4.340 0.021 0.000 0.235 443 R C 1.807 178.174 176.300 0.112 0.000 1.131 443 R CA 1.410 57.575 56.100 0.108 0.000 0.960 443 R CB -0.088 30.279 30.300 0.111 0.000 0.856 443 R HN 0.156 nan 8.270 nan 0.000 0.436 444 D N 0.590 121.020 120.400 0.049 0.000 2.104 444 D HA -0.153 4.500 4.640 0.021 0.000 0.194 444 D C 1.420 177.734 176.300 0.025 0.000 0.994 444 D CA 1.292 55.311 54.000 0.032 0.000 0.830 444 D CB -0.320 40.486 40.800 0.010 0.000 0.959 444 D HN 0.136 nan 8.370 nan 0.000 0.452 445 D N -0.397 120.009 120.400 0.010 0.000 2.144 445 D HA -0.121 4.531 4.640 0.021 0.000 0.200 445 D C 1.818 178.125 176.300 0.013 0.000 0.978 445 D CA 0.308 54.303 54.000 -0.007 0.000 0.833 445 D CB -0.474 40.305 40.800 -0.035 0.000 0.961 445 D HN 0.206 nan 8.370 nan 0.000 0.470 446 F N 1.132 121.013 119.950 -0.115 0.000 2.134 446 F HA -0.213 4.326 4.527 0.021 0.000 0.299 446 F C 2.157 177.894 175.800 -0.106 0.000 1.097 446 F CA 0.998 58.938 58.000 -0.100 0.000 1.264 446 F CB -0.086 38.887 39.000 -0.046 0.000 1.001 446 F HN -0.215 nan 8.300 nan 0.000 0.479 447 V N 0.567 120.500 119.914 0.032 0.000 2.287 447 V HA -0.277 3.855 4.120 0.021 0.000 0.248 447 V C 2.384 178.385 176.094 -0.155 0.000 1.053 447 V CA 2.140 64.384 62.300 -0.094 0.000 1.027 447 V CB -0.660 31.159 31.823 -0.006 0.000 0.646 447 V HN 0.306 nan 8.190 nan 0.000 0.447 448 E N -0.022 120.120 120.200 -0.097 0.000 2.106 448 E HA -0.152 4.210 4.350 0.021 0.000 0.192 448 E C 2.317 178.850 176.600 -0.111 0.000 0.984 448 E CA 1.708 58.054 56.400 -0.088 0.000 0.806 448 E CB -0.683 28.985 29.700 -0.053 0.000 0.750 448 E HN 0.601 nan 8.360 nan 0.000 0.458 449 T N 1.318 115.788 114.554 -0.140 0.000 2.674 449 T HA -0.101 4.261 4.350 0.021 0.000 0.265 449 T C 2.178 176.780 174.700 -0.162 0.000 1.039 449 T CA 1.516 63.535 62.100 -0.134 0.000 1.150 449 T CB -0.303 68.480 68.868 -0.142 0.000 0.864 449 T HN -0.025 nan 8.240 nan 0.000 0.427 450 V N 1.730 121.432 119.914 -0.353 0.000 2.343 450 V HA -0.144 3.989 4.120 0.021 0.000 0.247 450 V C 2.884 178.841 176.094 -0.229 0.000 1.051 450 V CA 1.647 63.733 62.300 -0.355 0.000 1.036 450 V CB -1.243 30.076 31.823 -0.840 0.000 0.654 450 V HN 0.528 nan 8.190 nan 0.000 0.451 451 A N 0.644 123.334 122.820 -0.217 0.000 1.902 451 A HA -0.089 4.243 4.320 0.021 0.000 0.217 451 A C 2.431 179.950 177.584 -0.108 0.000 1.181 451 A CA 1.944 53.896 52.037 -0.142 0.000 0.623 451 A CB -1.241 17.689 19.000 -0.116 0.000 0.818 451 A HN 0.524 nan 8.150 nan 0.000 0.443 452 G N -0.459 108.288 108.800 -0.089 0.000 2.418 452 G HA2 -0.012 3.961 3.960 0.021 0.000 0.217 452 G HA3 -0.012 3.961 3.960 0.021 0.000 0.217 452 G C 1.696 176.588 174.900 -0.012 0.000 1.158 452 G CA 1.377 46.440 45.100 -0.061 0.000 0.771 452 G HN 0.850 nan 8.290 nan 0.000 0.545 453 A N 0.015 122.871 122.820 0.059 0.000 2.067 453 A HA 0.229 4.561 4.320 0.021 0.000 0.219 453 A C 2.213 179.929 177.584 0.220 0.000 1.158 453 A CA 0.843 53.022 52.037 0.236 0.000 0.661 453 A CB -0.205 19.095 19.000 0.500 0.000 0.801 453 A HN 0.373 nan 8.150 nan 0.000 0.452 454 L N -1.081 120.115 121.223 -0.045 0.000 2.607 454 L HA 0.114 4.467 4.340 0.021 0.000 0.228 454 L C 0.996 177.795 176.870 -0.118 0.000 1.123 454 L CA -0.089 54.623 54.840 -0.214 0.000 0.890 454 L CB -0.007 41.844 42.059 -0.346 0.000 1.103 454 L HN 0.224 nan 8.230 nan 0.000 0.468 455 K N 0.750 121.090 120.400 -0.100 0.000 2.416 455 K HA 0.192 4.524 4.320 0.021 0.000 0.283 455 K C 1.094 177.640 176.600 -0.090 0.000 1.037 455 K CA 0.897 57.086 56.287 -0.163 0.000 0.995 455 K CB 0.386 32.739 32.500 -0.245 0.000 0.938 455 K HN 0.194 nan 8.250 nan 0.000 0.475 456 G N 2.204 110.976 108.800 -0.048 0.000 2.179 456 G HA2 -0.250 3.723 3.960 0.021 0.000 0.260 456 G HA3 -0.250 3.723 3.960 0.021 0.000 0.260 456 G C 0.096 175.003 174.900 0.013 0.000 0.977 456 G CA 0.116 45.228 45.100 0.021 0.000 0.641 456 G HN 0.529 nan 8.290 nan 0.000 0.533 457 V N 1.523 121.431 119.914 -0.010 0.000 2.740 457 V HA 0.242 4.374 4.120 0.021 0.000 0.303 457 V C 1.557 177.636 176.094 -0.025 0.000 1.054 457 V CA -0.107 62.186 62.300 -0.011 0.000 1.106 457 V CB 1.166 32.962 31.823 -0.045 0.000 0.957 457 V HN 0.522 nan 8.190 nan 0.000 0.486 458 R N 2.661 123.154 120.500 -0.013 0.000 2.537 458 R HA -0.052 4.301 4.340 0.021 0.000 0.281 458 R C 1.436 177.708 176.300 -0.046 0.000 0.988 458 R CA 0.377 56.467 56.100 -0.018 0.000 1.077 458 R CB 0.169 30.463 30.300 -0.010 0.000 0.932 458 R HN 0.825 nan 8.270 nan 0.000 0.409 459 Q N 2.128 121.908 119.800 -0.035 0.000 2.096 459 Q HA -0.249 4.103 4.340 0.021 0.000 0.204 459 Q C 1.257 177.207 176.000 -0.083 0.000 0.982 459 Q CA 2.233 58.005 55.803 -0.051 0.000 0.850 459 Q CB 0.075 28.806 28.738 -0.010 0.000 0.901 459 Q HN 0.797 nan 8.270 nan 0.000 0.422 460 D N -0.786 119.581 120.400 -0.056 0.000 2.144 460 D HA -0.154 4.498 4.640 0.021 0.000 0.199 460 D C 1.775 178.023 176.300 -0.086 0.000 0.984 460 D CA 1.350 55.317 54.000 -0.056 0.000 0.834 460 D CB -0.471 40.313 40.800 -0.028 0.000 0.955 460 D HN 0.239 nan 8.370 nan 0.000 0.465 461 V N 0.826 120.690 119.914 -0.084 0.000 2.453 461 V HA -0.216 3.916 4.120 0.021 0.000 0.247 461 V C 2.800 178.768 176.094 -0.210 0.000 1.048 461 V CA 1.537 63.785 62.300 -0.086 0.000 1.049 461 V CB -0.701 31.111 31.823 -0.018 0.000 0.672 461 V HN 0.165 nan 8.190 nan 0.000 0.457 462 Q N -0.003 119.613 119.800 -0.308 0.000 2.096 462 Q HA -0.216 4.137 4.340 0.021 0.000 0.204 462 Q C 2.447 177.843 176.000 -1.007 0.000 0.982 462 Q CA 1.891 57.317 55.803 -0.628 0.000 0.850 462 Q CB -0.414 27.998 28.738 -0.543 0.000 0.901 462 Q HN 0.680 nan 8.270 nan 0.000 0.422 463 A N 1.303 123.768 122.820 -0.592 0.000 1.902 463 A HA -0.205 4.128 4.320 0.021 0.000 0.217 463 A C 1.990 179.442 177.584 -0.220 0.000 1.181 463 A CA 1.349 53.154 52.037 -0.386 0.000 0.623 463 A CB -0.403 18.537 19.000 -0.100 0.000 0.818 463 A HN 0.234 nan 8.150 nan 0.000 0.443 464 R N -0.482 119.919 120.500 -0.165 0.000 2.096 464 R HA -0.051 4.302 4.340 0.021 0.000 0.235 464 R C 2.422 178.694 176.300 -0.046 0.000 1.127 464 R CA 1.098 57.163 56.100 -0.057 0.000 0.968 464 R CB -0.477 29.811 30.300 -0.020 0.000 0.861 464 R HN 0.507 nan 8.270 nan 0.000 0.440 465 A N 1.075 123.788 122.820 -0.178 0.000 1.933 465 A HA -0.146 4.187 4.320 0.021 0.000 0.218 465 A C 1.760 179.440 177.584 0.159 0.000 1.175 465 A CA 1.163 53.122 52.037 -0.130 0.000 0.628 465 A CB -0.503 18.281 19.000 -0.360 0.000 0.814 465 A HN 0.155 nan 8.150 nan 0.000 0.444 466 F N 0.075 120.086 119.950 0.102 0.000 2.134 466 F HA -0.097 4.442 4.527 0.021 0.000 0.299 466 F C 2.287 178.168 175.800 0.135 0.000 1.097 466 F CA 1.040 59.123 58.000 0.139 0.000 1.264 466 F CB -1.036 38.003 39.000 0.066 0.000 1.001 466 F HN 0.457 nan 8.300 nan 0.000 0.479 467 E N -0.691 119.662 120.200 0.256 0.000 2.072 467 E HA -0.276 4.086 4.350 0.021 0.000 0.191 467 E C 2.291 178.937 176.600 0.076 0.000 0.985 467 E CA 1.092 57.569 56.400 0.130 0.000 0.801 467 E CB -0.488 29.262 29.700 0.083 0.000 0.750 467 E HN 0.440 nan 8.360 nan 0.000 0.452 468 Y N -0.343 119.924 120.300 -0.055 0.000 2.128 468 Y HA -0.251 4.312 4.550 0.021 0.000 0.284 468 Y C 1.656 177.402 175.900 -0.258 0.000 1.154 468 Y CA 2.213 60.208 58.100 -0.175 0.000 1.149 468 Y CB -0.531 37.825 38.460 -0.174 0.000 0.976 468 Y HN 0.142 nan 8.280 nan 0.000 0.505 469 W N 0.677 122.189 121.300 0.354 0.000 2.388 469 W HA -0.078 4.594 4.660 0.020 0.000 0.294 469 W C 2.366 178.930 176.519 0.075 0.000 1.212 469 W CA 1.151 58.645 57.345 0.248 0.000 1.271 469 W CB -0.147 29.484 29.460 0.286 0.000 1.126 469 W HN -0.112 nan 8.180 nan 0.000 0.535 470 K N 0.168 120.703 120.400 0.224 0.000 2.209 470 K HA -0.153 4.179 4.320 0.021 0.000 0.204 470 K C 1.558 178.104 176.600 -0.091 0.000 1.048 470 K CA 1.176 57.506 56.287 0.072 0.000 0.940 470 K CB -0.295 32.236 32.500 0.051 0.000 0.729 470 K HN 0.111 nan 8.250 nan 0.000 0.451 471 N N 0.455 118.972 118.700 -0.305 0.000 2.244 471 N HA -0.102 4.650 4.740 0.021 0.000 0.183 471 N C 1.765 176.976 175.510 -0.498 0.000 1.016 471 N CA 0.763 53.418 53.050 -0.659 0.000 0.866 471 N CB -0.126 37.407 38.487 -1.590 0.000 0.980 471 N HN -0.048 nan 8.380 nan 0.000 0.430 472 V N 0.116 119.875 119.914 -0.259 0.000 2.270 472 V HA -0.131 4.001 4.120 0.021 0.000 0.245 472 V C 0.401 176.515 176.094 0.033 0.000 1.043 472 V CA 1.414 63.725 62.300 0.018 0.000 1.014 472 V CB -0.288 31.669 31.823 0.224 0.000 0.645 472 V HN 0.293 nan 8.190 nan 0.000 0.447 473 D N -3.110 117.335 120.400 0.076 0.000 2.861 473 D HA 0.519 5.172 4.640 0.021 0.000 0.216 473 D C 0.407 176.743 176.300 0.060 0.000 1.323 473 D CA 0.322 54.352 54.000 0.049 0.000 0.917 473 D CB 1.510 42.340 40.800 0.050 0.000 1.582 473 D HN 0.102 nan 8.370 nan 0.000 0.576 474 A N 2.360 125.191 122.820 0.019 0.000 1.940 474 A HA -0.116 4.216 4.320 0.021 0.000 0.219 474 A C 1.852 179.453 177.584 0.028 0.000 1.176 474 A CA 2.111 54.157 52.037 0.016 0.000 0.631 474 A CB -0.602 18.395 19.000 -0.005 0.000 0.814 474 A HN 0.625 nan 8.150 nan 0.000 0.446 475 T N -0.363 114.206 114.554 0.025 0.000 2.770 475 T HA -0.053 4.309 4.350 0.021 0.000 0.263 475 T C 1.828 176.552 174.700 0.040 0.000 1.039 475 T CA 1.346 63.459 62.100 0.022 0.000 1.142 475 T CB -0.291 68.586 68.868 0.014 0.000 0.868 475 T HN 0.302 nan 8.240 nan 0.000 0.435 476 I N 1.601 122.213 120.570 0.070 0.000 2.286 476 I HA -0.034 4.148 4.170 0.021 0.000 0.248 476 I C 2.500 178.685 176.117 0.114 0.000 1.115 476 I CA 1.079 62.443 61.300 0.106 0.000 1.392 476 I CB -0.689 37.407 38.000 0.160 0.000 1.065 476 I HN 0.292 nan 8.210 nan 0.000 0.418 477 G N -0.979 107.914 108.800 0.155 0.000 2.418 477 G HA2 -0.329 3.644 3.960 0.021 0.000 0.217 477 G HA3 -0.329 3.644 3.960 0.021 0.000 0.217 477 G C 1.580 176.516 174.900 0.060 0.000 1.158 477 G CA 0.894 46.109 45.100 0.191 0.000 0.771 477 G HN 0.376 nan 8.290 nan 0.000 0.545 478 Q N 0.404 120.213 119.800 0.015 0.000 2.079 478 Q HA 0.041 4.393 4.340 0.021 0.000 0.200 478 Q C 2.649 178.603 176.000 -0.076 0.000 0.974 478 Q CA 1.250 57.022 55.803 -0.052 0.000 0.840 478 Q CB -0.246 28.469 28.738 -0.038 0.000 0.898 478 Q HN 0.481 nan 8.270 nan 0.000 0.430 479 R N -0.482 119.996 120.500 -0.038 0.000 2.081 479 R HA -0.082 4.270 4.340 0.021 0.000 0.235 479 R C 2.321 178.576 176.300 -0.075 0.000 1.131 479 R CA 1.580 57.654 56.100 -0.044 0.000 0.960 479 R CB -0.411 29.883 30.300 -0.010 0.000 0.856 479 R HN 0.330 nan 8.270 nan 0.000 0.436 480 I N 0.537 121.062 120.570 -0.076 0.000 2.179 480 I HA -0.280 3.903 4.170 0.021 0.000 0.242 480 I C 2.612 178.637 176.117 -0.153 0.000 1.088 480 I CA 1.359 62.591 61.300 -0.113 0.000 1.357 480 I CB -0.299 37.617 38.000 -0.139 0.000 1.051 480 I HN 0.269 nan 8.210 nan 0.000 0.409 481 E N 1.067 121.095 120.200 -0.288 0.000 2.070 481 E HA -0.293 4.070 4.350 0.021 0.000 0.197 481 E C 1.684 178.019 176.600 -0.442 0.000 1.004 481 E CA 1.922 57.874 56.400 -0.747 0.000 0.805 481 E CB 0.048 29.223 29.700 -0.875 0.000 0.744 481 E HN 0.399 nan 8.360 nan 0.000 0.451 482 D N 0.071 120.319 120.400 -0.254 0.000 2.117 482 D HA -0.187 4.466 4.640 0.021 0.000 0.197 482 D C 1.846 178.084 176.300 -0.103 0.000 0.987 482 D CA 1.334 55.242 54.000 -0.153 0.000 0.829 482 D CB -0.266 40.473 40.800 -0.103 0.000 0.961 482 D HN 0.347 nan 8.370 nan 0.000 0.460 483 E N 0.292 120.435 120.200 -0.094 0.000 2.106 483 E HA -0.109 4.253 4.350 0.021 0.000 0.192 483 E C 2.008 178.585 176.600 -0.039 0.000 0.984 483 E CA 0.633 56.997 56.400 -0.059 0.000 0.806 483 E CB 0.119 29.781 29.700 -0.064 0.000 0.750 483 E HN -0.025 nan 8.360 nan 0.000 0.458 484 V N 1.269 121.162 119.914 -0.035 0.000 2.343 484 V HA -0.241 3.892 4.120 0.021 0.000 0.247 484 V C 2.155 178.294 176.094 0.075 0.000 1.051 484 V CA 2.021 64.345 62.300 0.040 0.000 1.036 484 V CB -0.402 31.540 31.823 0.198 0.000 0.654 484 V HN 0.246 nan 8.190 nan 0.000 0.451 485 K N -0.257 120.156 120.400 0.023 0.000 2.283 485 K HA -0.071 4.261 4.320 0.021 0.000 0.202 485 K C 2.069 178.699 176.600 0.050 0.000 1.048 485 K CA 0.906 57.217 56.287 0.041 0.000 0.948 485 K CB -0.134 32.349 32.500 -0.028 0.000 0.742 485 K HN 0.396 nan 8.250 nan 0.000 0.458 486 R N -0.368 120.154 120.500 0.038 0.000 2.317 486 R HA 0.036 4.388 4.340 0.021 0.000 0.208 486 R C -0.224 176.154 176.300 0.129 0.000 0.914 486 R CA 0.060 56.192 56.100 0.054 0.000 1.060 486 R CB -0.081 30.231 30.300 0.021 0.000 1.015 486 R HN 0.310 nan 8.270 nan 0.000 0.498 487 H N 0.477 119.546 119.070 -0.002 0.000 2.826 487 H HA -0.155 4.414 4.556 0.021 0.000 0.306 487 H C -0.887 174.437 175.328 -0.007 0.000 1.235 487 H CA 0.664 56.712 56.048 -0.000 0.000 1.150 487 H CB -0.873 28.890 29.762 0.001 0.000 1.409 487 H HN 0.417 nan 8.280 nan 0.000 0.420 488 E N -0.752 119.444 120.200 -0.006 0.000 2.243 488 E HA 0.719 5.081 4.350 0.021 0.000 0.260 488 E C 0.652 177.209 176.600 -0.071 0.000 0.985 488 E CA -0.206 56.177 56.400 -0.029 0.000 0.858 488 E CB 2.229 31.921 29.700 -0.013 0.000 1.210 488 E HN 0.491 nan 8.360 nan 0.000 0.411 489 G N 0.984 109.748 108.800 -0.061 0.000 2.326 489 G HA2 -0.018 3.955 3.960 0.021 0.000 0.413 489 G HA3 -0.018 3.955 3.960 0.021 0.000 0.413 489 G C -1.579 173.286 174.900 -0.057 0.000 1.444 489 G CA -1.054 44.005 45.100 -0.068 0.000 1.002 489 G HN 0.397 nan 8.290 nan 0.000 0.649 490 D N -0.200 120.170 120.400 -0.050 0.000 2.362 490 D HA 0.503 5.155 4.640 0.021 0.000 0.242 490 D C 1.144 177.424 176.300 -0.032 0.000 1.132 490 D CA 1.068 55.048 54.000 -0.035 0.000 0.907 490 D CB 1.084 41.867 40.800 -0.027 0.000 1.195 490 D HN 0.767 nan 8.370 nan 0.000 0.429 491 G N 0.735 109.520 108.800 -0.025 0.000 2.403 491 G HA2 0.385 4.358 3.960 0.021 0.000 0.259 491 G HA3 0.385 4.358 3.960 0.021 0.000 0.259 491 G C -0.228 174.662 174.900 -0.017 0.000 1.244 491 G CA -0.432 44.654 45.100 -0.024 0.000 0.849 491 G HN 0.303 nan 8.290 nan 0.000 0.532 492 I N 3.838 124.395 120.570 -0.021 0.000 2.321 492 I HA 0.267 4.450 4.170 0.021 0.000 0.291 492 I C -2.007 174.074 176.117 -0.060 0.000 0.998 492 I CA -3.475 57.817 61.300 -0.013 0.000 1.227 492 I CB 1.289 39.297 38.000 0.013 0.000 1.368 492 I HN 0.262 nan 8.210 nan 0.000 0.466 493 P HA 0.183 nan 4.420 nan 0.000 0.266 493 P C 0.857 177.957 177.300 -0.333 0.000 1.215 493 P CA 0.552 63.615 63.100 -0.061 0.000 0.763 493 P CB 0.746 32.508 31.700 0.104 0.000 0.806 494 G N 1.364 109.723 108.800 -0.735 0.000 2.201 494 G HA2 -0.135 3.838 3.960 0.021 0.000 0.212 494 G HA3 -0.135 3.838 3.960 0.021 0.000 0.212 494 G C -0.300 174.025 174.900 -0.958 0.000 0.994 494 G CA 0.023 44.117 45.100 -1.677 0.000 0.644 494 G HN 0.749 nan 8.290 nan 0.000 0.508 495 V N 0.670 120.299 119.914 -0.474 0.000 3.147 495 V HA 0.763 4.895 4.120 0.021 0.000 0.299 495 V C -0.940 175.061 176.094 -0.154 0.000 1.302 495 V CA 0.447 62.571 62.300 -0.293 0.000 1.015 495 V CB 2.022 33.704 31.823 -0.236 0.000 1.086 495 V HN 1.083 nan 8.190 nan 0.000 0.437 496 E N 4.326 124.461 120.200 -0.108 0.000 2.425 496 E HA 0.898 5.260 4.350 0.021 0.000 0.272 496 E C -1.169 175.413 176.600 -0.030 0.000 1.061 496 E CA -0.676 55.692 56.400 -0.052 0.000 0.877 496 E CB 2.035 31.704 29.700 -0.051 0.000 1.590 496 E HN 1.276 nan 8.360 nan 0.000 0.462 497 A N -0.237 122.578 122.820 -0.009 0.000 2.532 497 A HA 0.924 5.257 4.320 0.021 0.000 0.290 497 A C 0.215 177.801 177.584 0.004 0.000 1.143 497 A CA -0.232 51.806 52.037 0.003 0.000 0.728 497 A CB 1.177 20.194 19.000 0.029 0.000 1.317 497 A HN 1.648 nan 8.150 nan 0.000 0.414 498 G N -1.324 107.480 108.800 0.007 0.000 2.707 498 G HA2 0.602 4.574 3.960 0.021 0.000 0.686 498 G HA3 0.602 4.574 3.960 0.021 0.000 0.686 498 G C 1.012 175.917 174.900 0.008 0.000 1.315 498 G CA 0.495 45.604 45.100 0.014 0.000 0.832 498 G HN 3.137 nan 8.290 nan 0.000 0.573 499 G N -0.965 107.842 108.800 0.012 0.000 2.712 499 G HA2 0.266 4.239 3.960 0.021 0.000 0.683 499 G HA3 0.266 4.239 3.960 0.021 0.000 0.683 499 G C 0.316 175.218 174.900 0.002 0.000 1.320 499 G CA 0.753 45.857 45.100 0.007 0.000 0.847 499 G HN 1.622 nan 8.290 nan 0.000 0.553 500 E N -0.046 120.154 120.200 0.001 0.000 2.418 500 E HA 0.273 4.636 4.350 0.021 0.000 0.197 500 E C 2.405 179.002 176.600 -0.004 0.000 1.026 500 E CA 1.580 57.979 56.400 -0.001 0.000 0.862 500 E CB 0.014 29.714 29.700 -0.000 0.000 0.799 500 E HN 1.059 nan 8.360 nan 0.000 0.518 501 A N 0.110 122.926 122.820 -0.005 0.000 2.387 501 A HA 0.256 4.589 4.320 0.021 0.000 0.234 501 A C 0.647 178.223 177.584 -0.014 0.000 1.253 501 A CA -0.089 51.943 52.037 -0.009 0.000 0.894 501 A CB 0.273 19.267 19.000 -0.009 0.000 0.963 501 A HN -0.037 nan 8.150 nan 0.000 0.508 502 R N -1.346 119.147 120.500 -0.012 0.000 2.922 502 R HA 0.635 4.987 4.340 0.021 0.000 0.256 502 R C -0.583 175.710 176.300 -0.012 0.000 1.138 502 R CA -0.900 55.191 56.100 -0.017 0.000 0.995 502 R CB 1.004 31.294 30.300 -0.017 0.000 1.226 502 R HN 0.230 nan 8.270 nan 0.000 0.481 503 I N 0.000 120.562 120.570 -0.014 0.000 2.984 503 I HA 0.000 4.183 4.170 0.021 0.000 0.288 503 I CA 0.000 61.295 61.300 -0.009 0.000 1.566 503 I CB 0.000 37.994 38.000 -0.010 0.000 1.214 503 I HN 0.000 nan 8.210 nan 0.000 0.494